Скачиваем входные файлы:
! rm -rf *.pdb *.gro *.itp *.mdp pep*
! wget -q http://kodomo.cmm.msu.ru/~golovin/pep_melt/2xl1.pdb http://kodomo.cmm.msu.ru/~golovin/pep_melt/fam_em.gro http://kodomo.cmm.msu.ru/~golovin/pep_melt/fam.itp http://kodomo.cmm.msu.ru/~golovin/pep_melt/em.mdp http://kodomo.cmm.msu.ru/~golovin/pep_melt/pr.mdp http://kodomo.cmm.msu.ru/~golovin/pep_melt/md.mdp
Построим файл топологии системы в силовом поле amber99sb и файл с координатами в формате Gromacs. Используем флаг -ignh для игнорирования атомов водорода в pdb файле:
! gmx pdb2gmx -f 2xl1.pdb -o pep -p pep -ff amber99sb -water tip3p -ignh
:-) GROMACS - gmx pdb2gmx, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx pdb2gmx, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx pdb2gmx -f 2xl1.pdb -o pep -p pep -ff amber99sb -water tip3p -ignh
Using the Amber99sb force field in directory amber99sb.ff
going to rename amber99sb.ff/aminoacids.r2b
Opening force field file /usr/share/gromacs/top/amber99sb.ff/aminoacids.r2b
going to rename amber99sb.ff/dna.r2b
Opening force field file /usr/share/gromacs/top/amber99sb.ff/dna.r2b
going to rename amber99sb.ff/rna.r2b
Opening force field file /usr/share/gromacs/top/amber99sb.ff/rna.r2b
Reading 2xl1.pdb...
Read 'ARGININE ATTENUATOR PEPTIDE', 127 atoms
Analyzing pdb file
Splitting chemical chains based on TER records or chain id changing.
There are 1 chains and 0 blocks of water and 15 residues with 127 atoms
chain #res #atoms
1 'A' 15 127
All occupancies are one
Opening force field file /usr/share/gromacs/top/amber99sb.ff/atomtypes.atp
Reading residue database... (Amber99sb)
Opening force field file /usr/share/gromacs/top/amber99sb.ff/aminoacids.rtp
Opening force field file /usr/share/gromacs/top/amber99sb.ff/dna.rtp
Opening force field file /usr/share/gromacs/top/amber99sb.ff/rna.rtp
Opening force field file /usr/share/gromacs/top/amber99sb.ff/aminoacids.hdb
Opening force field file /usr/share/gromacs/top/amber99sb.ff/dna.hdb
Opening force field file /usr/share/gromacs/top/amber99sb.ff/rna.hdb
Opening force field file /usr/share/gromacs/top/amber99sb.ff/aminoacids.n.tdb
Opening force field file /usr/share/gromacs/top/amber99sb.ff/aminoacids.c.tdb
Processing chain 1 'A' (127 atoms, 15 residues)
Analysing hydrogen-bonding network for automated assignment of histidine
protonation. 26 donors and 24 acceptors were found.
There are 30 hydrogen bonds
Will use HISE for residue 17
Identified residue SER10 as a starting terminus.
Identified residue ALA24 as a ending terminus.
8 out of 8 lines of specbond.dat converted successfully
Opening force field file /usr/share/gromacs/top/amber99sb.ff/aminoacids.arn
Opening force field file /usr/share/gromacs/top/amber99sb.ff/dna.arn
Opening force field file /usr/share/gromacs/top/amber99sb.ff/rna.arn
Checking for duplicate atoms....
Generating any missing hydrogen atoms and/or adding termini.
Now there are 15 residues with 243 atoms
Making bonds...
Number of bonds was 247, now 246
Generating angles, dihedrals and pairs...
Before cleaning: 628 pairs
Before cleaning: 638 dihedrals
Keeping all generated dihedrals
Making cmap torsions...
There are 638 dihedrals, 56 impropers, 436 angles
622 pairs, 246 bonds and 0 virtual sites
Total mass 1787.948 a.m.u.
Total charge -1.000 e
Writing topology
Writing coordinate file...
--------- PLEASE NOTE ------------
You have successfully generated a topology from: 2xl1.pdb.
The Amber99sb force field and the tip3p water model are used.
--------- ETON ESAELP ------------
GROMACS reminds you: "Ubiquitin's just a rock" (Berk Hess)
Увеличиваем габариты ячейки:
! gmx editconf -f pep.gro -o pep_ec -d 1.5
:-) GROMACS - gmx editconf, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx editconf, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx editconf -f pep.gro -o pep_ec -d 1.5
Note that major changes are planned in future for editconf, to improve usability and utility.
Read 243 atoms
Volume: 0.001 nm^3, corresponds to roughly 0 electrons
No velocities found
system size : 2.065 1.670 1.221 (nm)
center : 0.381 0.143 -0.145 (nm)
box vectors : 0.100 0.100 0.100 (nm)
box angles : 90.00 90.00 90.00 (degrees)
box volume : 0.00 (nm^3)
shift : 2.152 2.192 2.256 (nm)
new center : 2.532 2.335 2.111 (nm)
new box vectors : 5.065 4.670 4.221 (nm)
new box angles : 90.00 90.00 90.00 (degrees)
new box volume : 99.84 (nm^3)
WARNING: No boxtype specified - distance condition applied in each dimension.
If the molecule rotates the actual distance will be smaller. You might want
to use a cubic box instead, or why not try a dodecahedron today?
GROMACS reminds you: "There are only two things wrong with C++: The initial concept and the implementation." (Bertrand Meyer)
Проведём оптимизацию геометрии системы, чтобы удалить "плохие" контакты в молекуле:
! gmx grompp -f em -c pep_ec -p pep -o pep_em -maxwarn 2
:-) GROMACS - gmx grompp, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx grompp, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx grompp -f em -c pep_ec -p pep -o pep_em -maxwarn 2
Ignoring obsolete mdp entry 'title'
Ignoring obsolete mdp entry 'cpp'
Ignoring obsolete mdp entry 'ns_type'
NOTE 1 [file em.mdp]:
With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
that with the Verlet scheme, nstlist has no effect on the accuracy of
your simulation.
WARNING 1 [file em.mdp]:
For efficient BFGS minimization, use switch/shift/pme instead of cut-off.
Setting the LD random seed to 1981310906
Generated 2145 of the 2145 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 0.5
Generated 2145 of the 2145 1-4 parameter combinations
Excluding 3 bonded neighbours molecule type 'Protein_chain_A'
WARNING 2 [file pep.top, line 2325]:
The following macros were defined in the 'define' mdp field with the -D
prefix, but were not used in the topology:
FLEX_SPC
If you haven't made a spelling error, either use the macro you defined,
or don't define the macro
NOTE 2 [file pep.top, line 2325]:
System has non-zero total charge: -1.000000
Total charge should normally be an integer. See
http://www.gromacs.org/Documentation/Floating_Point_Arithmetic
for discussion on how close it should be to an integer.
Analysing residue names:
There are: 15 Protein residues
Analysing Protein...
Number of degrees of freedom in T-Coupling group rest is 726.00
NOTE 3 [file em.mdp]:
You are using a plain Coulomb cut-off, which might produce artifacts.
You might want to consider using PME electrostatics.
This run will generate roughly 11 Mb of data
There were 3 notes
There were 2 warnings
GROMACS reminds you: "XML is not a language in the sense of a programming language any more than sketches on a napkin are a language." (Charles Simonyi)
! gmx mdrun -deffnm pep_em -v
:-) GROMACS - gmx mdrun, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx mdrun, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx mdrun -deffnm pep_em -v
Compiled SIMD: SSE2, but for this host/run AVX_512 might be better (see log).
The current CPU can measure timings more accurately than the code in
gmx mdrun was configured to use. This might affect your simulation
speed as accurate timings are needed for load-balancing.
Please consider rebuilding gmx mdrun with the GMX_USE_RDTSCP=ON CMake option.
Reading file pep_em.tpr, VERSION 2020.1-Ubuntu-2020.1-1 (single precision)
L-BFGS minimization only supports a single rank. Choosing to use only a single thread-MPI rank.
Using 1 MPI thread
Non-default thread affinity set, disabling internal thread affinity
Using 64 OpenMP threads
Low-Memory BFGS Minimizer:
Tolerance (Fmax) = 1.00000e+00
Number of steps = 1000000
Using 10 BFGS correction steps.
F-max = 4.37038e+03 on atom 146
F-Norm = 2.00120e+03
Step 0, Epot=-8.747061e+02, Fnorm=9.740e+02, Fmax=2.295e+03 (atom 150)
Step 1, Epot=-1.078357e+03, Fnorm=6.445e+02, Fmax=1.317e+03 (atom 170)
Step 2, Epot=-1.231206e+03, Fnorm=4.627e+02, Fmax=9.687e+02 (atom 176)
Step 3, Epot=-1.267594e+03, Fnorm=6.156e+02, Fmax=2.710e+03 (atom 154)
Step 4, Epot=-1.342143e+03, Fnorm=3.366e+02, Fmax=9.740e+02 (atom 38)
Step 5, Epot=-1.365192e+03, Fnorm=3.092e+02, Fmax=8.145e+02 (atom 38)
Step 6, Epot=-1.308430e+03, Fnorm=3.117e+02, Fmax=1.472e+03 (atom 38)
Step 7, Epot=-1.357204e+03, Fnorm=6.042e+02, Fmax=3.306e+03 (atom 38)
Step 8, Epot=-1.356544e+03, Fnorm=4.029e+02, Fmax=1.235e+03 (atom 154)
Step 9, Epot=-1.293212e+03, Fnorm=2.748e+02, Fmax=1.070e+03 (atom 38)
Step 10, Epot=-1.319873e+03, Fnorm=2.814e+02, Fmax=1.244e+03 (atom 38)
Step 11, Epot=-1.037237e+03, Fnorm=3.684e+02, Fmax=1.586e+03 (atom 101)
Step 12, Epot=-1.050816e+03, Fnorm=5.717e+02, Fmax=4.133e+03 (atom 101)
Step 13, Epot=-1.074692e+03, Fnorm=2.607e+02, Fmax=1.582e+03 (atom 90)
Step 14, Epot=-1.097243e+03, Fnorm=2.016e+02, Fmax=8.057e+02 (atom 101)
Step 15, Epot=-1.030613e+03, Fnorm=1.956e+02, Fmax=6.869e+02 (atom 38)
Step 16, Epot=-1.055176e+03, Fnorm=3.002e+02, Fmax=1.168e+03 (atom 152)
Step 17, Epot=-1.083922e+03, Fnorm=2.934e+02, Fmax=1.298e+03 (atom 91)
Step 18, Epot=-1.101114e+03, Fnorm=1.772e+02, Fmax=6.374e+02 (atom 103)
Step 19, Epot=-1.117066e+03, Fnorm=1.709e+02, Fmax=5.294e+02 (atom 103)
Step 20, Epot=-1.108320e+03, Fnorm=2.046e+02, Fmax=8.036e+02 (atom 29)
Step 21, Epot=-1.028158e+03, Fnorm=2.068e+02, Fmax=9.028e+02 (atom 101)
Step 22, Epot=-9.598372e+02, Fnorm=2.206e+02, Fmax=9.611e+02 (atom 91)
Step 23, Epot=-9.655217e+02, Fnorm=1.599e+02, Fmax=4.616e+02 (atom 31)
Step 24, Epot=-9.752117e+02, Fnorm=1.393e+02, Fmax=4.627e+02 (atom 91)
Step 25, Epot=-9.717417e+02, Fnorm=1.398e+02, Fmax=6.317e+02 (atom 90)
Step 26, Epot=-9.819792e+02, Fnorm=1.639e+02, Fmax=6.891e+02 (atom 103)
Step 27, Epot=-1.000565e+03, Fnorm=2.241e+02, Fmax=9.206e+02 (atom 182)
Step 28, Epot=-1.008814e+03, Fnorm=1.489e+02, Fmax=8.005e+02 (atom 105)
Step 29, Epot=-1.012542e+03, Fnorm=1.458e+02, Fmax=5.545e+02 (atom 182)
Step 30, Epot=-1.249963e+03, Fnorm=1.600e+02, Fmax=5.896e+02 (atom 42)
Step 31, Epot=-1.368529e+03, Fnorm=1.532e+02, Fmax=4.778e+02 (atom 13)
Step 32, Epot=-1.369363e+03, Fnorm=1.599e+02, Fmax=6.166e+02 (atom 242)
Step 33, Epot=-1.370168e+03, Fnorm=1.394e+02, Fmax=5.158e+02 (atom 242)
Step 34, Epot=-1.282518e+03, Fnorm=1.499e+02, Fmax=6.575e+02 (atom 189)
Step 35, Epot=-1.304630e+03, Fnorm=1.267e+02, Fmax=4.724e+02 (atom 189)
Step 36, Epot=-1.313136e+03, Fnorm=1.442e+02, Fmax=6.177e+02 (atom 189)
Step 37, Epot=-1.342903e+03, Fnorm=1.504e+02, Fmax=6.039e+02 (atom 182)
Step 38, Epot=-1.346503e+03, Fnorm=1.271e+02, Fmax=4.642e+02 (atom 103)
Step 39, Epot=-1.360418e+03, Fnorm=1.588e+02, Fmax=8.894e+02 (atom 105)
Step 40, Epot=-1.372185e+03, Fnorm=2.173e+02, Fmax=1.232e+03 (atom 101)
Step 41, Epot=-1.382584e+03, Fnorm=1.495e+02, Fmax=5.349e+02 (atom 182)
Step 42, Epot=-1.383116e+03, Fnorm=1.533e+02, Fmax=6.233e+02 (atom 101)
Step 43, Epot=-1.380498e+03, Fnorm=1.129e+02, Fmax=4.252e+02 (atom 209)
Step 44, Epot=-1.289479e+03, Fnorm=1.121e+02, Fmax=7.338e+02 (atom 242)
Step 46, Epot=-1.300260e+03, Fnorm=8.667e+01, Fmax=2.964e+02 (atom 31)
Step 47, Epot=-1.300882e+03, Fnorm=8.419e+01, Fmax=2.905e+02 (atom 31)
Step 48, Epot=-1.300909e+03, Fnorm=8.252e+01, Fmax=2.877e+02 (atom 242)
Step 49, Epot=-1.300931e+03, Fnorm=8.381e+01, Fmax=3.215e+02 (atom 123)
Step 50, Epot=-1.300938e+03, Fnorm=8.315e+01, Fmax=3.578e+02 (atom 123)
Step 51, Epot=-1.198594e+03, Fnorm=1.012e+02, Fmax=5.692e+02 (atom 189)
Step 52, Epot=-1.211197e+03, Fnorm=1.121e+02, Fmax=7.626e+02 (atom 105)
Step 53, Epot=-1.212973e+03, Fnorm=1.895e+02, Fmax=8.023e+02 (atom 105)
Step 54, Epot=-1.220428e+03, Fnorm=1.388e+02, Fmax=7.876e+02 (atom 105)
Step 55, Epot=-1.222022e+03, Fnorm=1.065e+02, Fmax=3.849e+02 (atom 105)
Step 56, Epot=-1.213110e+03, Fnorm=9.976e+01, Fmax=3.628e+02 (atom 242)
Step 57, Epot=-1.214806e+03, Fnorm=1.628e+02, Fmax=6.250e+02 (atom 188)
Step 58, Epot=-1.217583e+03, Fnorm=1.610e+02, Fmax=8.463e+02 (atom 42)
Step 59, Epot=-1.225594e+03, Fnorm=1.345e+02, Fmax=6.976e+02 (atom 242)
Step 60, Epot=-1.228166e+03, Fnorm=1.223e+02, Fmax=7.499e+02 (atom 105)
Step 61, Epot=-1.225820e+03, Fnorm=1.288e+02, Fmax=7.136e+02 (atom 165)
Step 62, Epot=-1.228129e+03, Fnorm=1.078e+02, Fmax=4.115e+02 (atom 39)
Step 63, Epot=-1.230769e+03, Fnorm=1.103e+02, Fmax=5.908e+02 (atom 228)
Step 64, Epot=-1.233546e+03, Fnorm=1.165e+02, Fmax=5.405e+02 (atom 165)
Step 65, Epot=-1.193119e+03, Fnorm=1.212e+02, Fmax=5.397e+02 (atom 182)
Step 66, Epot=-1.195882e+03, Fnorm=1.170e+02, Fmax=4.662e+02 (atom 182)
Step 67, Epot=-1.203151e+03, Fnorm=1.278e+02, Fmax=5.085e+02 (atom 141)
Step 68, Epot=-1.210134e+03, Fnorm=1.240e+02, Fmax=5.818e+02 (atom 42)
Step 69, Epot=-1.259267e+03, Fnorm=1.110e+02, Fmax=5.785e+02 (atom 42)
Step 70, Epot=-1.137054e+03, Fnorm=1.278e+02, Fmax=6.620e+02 (atom 42)
Step 71, Epot=-1.138801e+03, Fnorm=1.066e+02, Fmax=4.773e+02 (atom 165)
Step 72, Epot=-1.144264e+03, Fnorm=1.370e+02, Fmax=7.082e+02 (atom 228)
Step 73, Epot=-1.147242e+03, Fnorm=1.280e+02, Fmax=7.891e+02 (atom 228)
Step 74, Epot=-1.223965e+03, Fnorm=1.302e+02, Fmax=4.912e+02 (atom 90)
Step 75, Epot=-1.225489e+03, Fnorm=1.164e+02, Fmax=4.535e+02 (atom 40)
Step 76, Epot=-1.223602e+03, Fnorm=1.568e+02, Fmax=8.463e+02 (atom 42)
Step 77, Epot=-1.223823e+03, Fnorm=1.273e+02, Fmax=8.138e+02 (atom 42)
Step 78, Epot=-1.225998e+03, Fnorm=1.155e+02, Fmax=6.748e+02 (atom 105)
Step 80, Epot=-1.228755e+03, Fnorm=1.494e+02, Fmax=8.284e+02 (atom 105)
Step 81, Epot=-1.233182e+03, Fnorm=9.446e+01, Fmax=4.528e+02 (atom 40)
Step 82, Epot=-1.233851e+03, Fnorm=9.012e+01, Fmax=4.551e+02 (atom 219)
Step 83, Epot=-1.234162e+03, Fnorm=1.260e+02, Fmax=9.150e+02 (atom 42)
Step 84, Epot=-1.234766e+03, Fnorm=8.389e+01, Fmax=3.670e+02 (atom 13)
Step 85, Epot=-1.235207e+03, Fnorm=8.147e+01, Fmax=3.585e+02 (atom 13)
Step 86, Epot=-1.243203e+03, Fnorm=1.855e+02, Fmax=1.073e+03 (atom 228)
Step 87, Epot=-1.243468e+03, Fnorm=1.653e+02, Fmax=9.520e+02 (atom 42)
Step 88, Epot=-1.215680e+03, Fnorm=1.122e+02, Fmax=5.090e+02 (atom 105)
Step 89, Epot=-1.218447e+03, Fnorm=8.499e+01, Fmax=3.510e+02 (atom 105)
Step 90, Epot=-1.216402e+03, Fnorm=1.107e+02, Fmax=5.712e+02 (atom 228)
Step 91, Epot=-1.217828e+03, Fnorm=1.103e+02, Fmax=5.338e+02 (atom 42)
Step 92, Epot=-1.223734e+03, Fnorm=1.239e+02, Fmax=6.435e+02 (atom 105)
Step 93, Epot=-1.227072e+03, Fnorm=1.044e+02, Fmax=4.295e+02 (atom 105)
Step 94, Epot=-1.228336e+03, Fnorm=9.428e+01, Fmax=4.798e+02 (atom 199)
Step 95, Epot=-1.229642e+03, Fnorm=9.404e+01, Fmax=4.125e+02 (atom 105)
Step 96, Epot=-1.230800e+03, Fnorm=9.554e+01, Fmax=4.904e+02 (atom 228)
Step 97, Epot=-1.231911e+03, Fnorm=1.145e+02, Fmax=5.822e+02 (atom 209)
Step 98, Epot=-1.232923e+03, Fnorm=1.166e+02, Fmax=5.284e+02 (atom 141)
Step 99, Epot=-1.233999e+03, Fnorm=1.244e+02, Fmax=6.215e+02 (atom 105)
Step 100, Epot=-1.235103e+03, Fnorm=8.499e+01, Fmax=3.554e+02 (atom 209)
Step 101, Epot=-1.235783e+03, Fnorm=1.026e+02, Fmax=4.774e+02 (atom 42)
Step 102, Epot=-1.235243e+03, Fnorm=9.623e+01, Fmax=4.014e+02 (atom 105)
Step 103, Epot=-1.236353e+03, Fnorm=1.219e+02, Fmax=7.403e+02 (atom 42)
Step 104, Epot=-1.237593e+03, Fnorm=1.075e+02, Fmax=6.430e+02 (atom 42)
Step 105, Epot=-1.238710e+03, Fnorm=1.197e+02, Fmax=5.922e+02 (atom 199)
Step 106, Epot=-1.239985e+03, Fnorm=1.038e+02, Fmax=5.672e+02 (atom 199)
Step 107, Epot=-1.255806e+03, Fnorm=1.338e+02, Fmax=9.688e+02 (atom 42)
Step 108, Epot=-1.238652e+03, Fnorm=9.862e+01, Fmax=4.456e+02 (atom 105)
Step 109, Epot=-1.234915e+03, Fnorm=1.172e+02, Fmax=4.481e+02 (atom 105)
Step 110, Epot=-1.235774e+03, Fnorm=1.100e+02, Fmax=5.768e+02 (atom 42)
Step 111, Epot=-1.224159e+03, Fnorm=1.167e+02, Fmax=5.814e+02 (atom 105)
Step 112, Epot=-1.225216e+03, Fnorm=9.812e+01, Fmax=4.491e+02 (atom 182)
Step 113, Epot=-1.230953e+03, Fnorm=1.063e+02, Fmax=5.244e+02 (atom 219)
Step 114, Epot=-1.231882e+03, Fnorm=9.107e+01, Fmax=3.987e+02 (atom 105)
Step 115, Epot=-1.234514e+03, Fnorm=1.055e+02, Fmax=4.728e+02 (atom 199)
Step 116, Epot=-1.238089e+03, Fnorm=1.339e+02, Fmax=9.180e+02 (atom 42)
Step 117, Epot=-1.238861e+03, Fnorm=1.156e+02, Fmax=5.129e+02 (atom 209)
Step 118, Epot=-1.239500e+03, Fnorm=1.146e+02, Fmax=6.587e+02 (atom 42)
Step 119, Epot=-1.240240e+03, Fnorm=9.131e+01, Fmax=6.170e+02 (atom 105)
Step 120, Epot=-1.240459e+03, Fnorm=1.142e+02, Fmax=5.193e+02 (atom 42)
Step 121, Epot=-1.241104e+03, Fnorm=9.312e+01, Fmax=4.500e+02 (atom 40)
Step 122, Epot=-1.241219e+03, Fnorm=1.226e+02, Fmax=8.468e+02 (atom 42)
Step 123, Epot=-1.242131e+03, Fnorm=8.907e+01, Fmax=3.559e+02 (atom 199)
Step 124, Epot=-1.242635e+03, Fnorm=8.976e+01, Fmax=4.365e+02 (atom 182)
Step 125, Epot=-1.243329e+03, Fnorm=8.662e+01, Fmax=3.818e+02 (atom 218)
Step 126, Epot=-1.243874e+03, Fnorm=1.345e+02, Fmax=7.631e+02 (atom 189)
Step 127, Epot=-1.245007e+03, Fnorm=9.358e+01, Fmax=3.656e+02 (atom 94)
Step 128, Epot=-1.245506e+03, Fnorm=1.136e+02, Fmax=5.691e+02 (atom 209)
Step 129, Epot=-1.246374e+03, Fnorm=9.851e+01, Fmax=3.809e+02 (atom 82)
Step 130, Epot=-1.247252e+03, Fnorm=1.024e+02, Fmax=5.289e+02 (atom 199)
Step 131, Epot=-1.248252e+03, Fnorm=1.097e+02, Fmax=6.625e+02 (atom 242)
Step 132, Epot=-1.249194e+03, Fnorm=1.049e+02, Fmax=3.678e+02 (atom 209)
Step 133, Epot=-1.247252e+03, Fnorm=1.055e+02, Fmax=4.669e+02 (atom 165)
Step 134, Epot=-1.246624e+03, Fnorm=1.284e+02, Fmax=7.407e+02 (atom 189)
Step 135, Epot=-1.247539e+03, Fnorm=1.040e+02, Fmax=4.198e+02 (atom 189)
Step 136, Epot=-1.248250e+03, Fnorm=1.227e+02, Fmax=7.879e+02 (atom 42)
Step 137, Epot=-1.236403e+03, Fnorm=1.043e+02, Fmax=4.446e+02 (atom 199)
Step 138, Epot=-1.236940e+03, Fnorm=1.030e+02, Fmax=4.492e+02 (atom 199)
Step 139, Epot=-1.249784e+03, Fnorm=1.804e+02, Fmax=8.363e+02 (atom 164)
Step 140, Epot=-1.252506e+03, Fnorm=1.084e+02, Fmax=4.181e+02 (atom 132)
Step 141, Epot=-1.253340e+03, Fnorm=1.184e+02, Fmax=8.675e+02 (atom 105)
Step 142, Epot=-1.254384e+03, Fnorm=1.010e+02, Fmax=4.823e+02 (atom 40)
Step 143, Epot=-1.255574e+03, Fnorm=1.013e+02, Fmax=5.955e+02 (atom 42)
Step 144, Epot=-1.256491e+03, Fnorm=1.001e+02, Fmax=4.131e+02 (atom 228)
Step 145, Epot=-1.232406e+03, Fnorm=1.472e+02, Fmax=9.887e+02 (atom 42)
Step 146, Epot=-1.233400e+03, Fnorm=1.082e+02, Fmax=4.857e+02 (atom 42)
Step 147, Epot=-1.233911e+03, Fnorm=1.222e+02, Fmax=7.701e+02 (atom 42)
Step 148, Epot=-1.234740e+03, Fnorm=1.052e+02, Fmax=4.303e+02 (atom 82)
Step 149, Epot=-1.235656e+03, Fnorm=8.766e+01, Fmax=4.052e+02 (atom 228)
Step 150, Epot=-1.266770e+03, Fnorm=1.457e+02, Fmax=9.896e+02 (atom 42)
Step 151, Epot=-1.267385e+03, Fnorm=9.501e+01, Fmax=4.621e+02 (atom 182)
Step 152, Epot=-1.267801e+03, Fnorm=8.693e+01, Fmax=4.045e+02 (atom 105)
Step 153, Epot=-1.268284e+03, Fnorm=9.204e+01, Fmax=3.494e+02 (atom 189)
Step 154, Epot=-1.293857e+03, Fnorm=8.829e+01, Fmax=3.215e+02 (atom 141)
Step 155, Epot=-1.294067e+03, Fnorm=1.159e+02, Fmax=4.997e+02 (atom 209)
Step 156, Epot=-1.294788e+03, Fnorm=1.042e+02, Fmax=6.040e+02 (atom 105)
Step 157, Epot=-1.240061e+03, Fnorm=1.029e+02, Fmax=8.170e+02 (atom 42)
Step 158, Epot=-1.240519e+03, Fnorm=9.669e+01, Fmax=4.554e+02 (atom 42)
Step 159, Epot=-1.241039e+03, Fnorm=9.531e+01, Fmax=4.564e+02 (atom 42)
Step 160, Epot=-1.269184e+03, Fnorm=1.133e+02, Fmax=6.081e+02 (atom 105)
Step 161, Epot=-1.269904e+03, Fnorm=1.094e+02, Fmax=6.062e+02 (atom 105)
Step 162, Epot=-1.247078e+03, Fnorm=9.976e+01, Fmax=4.573e+02 (atom 228)
Step 163, Epot=-1.247488e+03, Fnorm=8.691e+01, Fmax=3.549e+02 (atom 82)
Step 164, Epot=-1.247878e+03, Fnorm=1.242e+02, Fmax=8.199e+02 (atom 189)
Step 165, Epot=-1.270079e+03, Fnorm=1.122e+02, Fmax=6.510e+02 (atom 189)
Step 166, Epot=-1.270563e+03, Fnorm=1.228e+02, Fmax=6.676e+02 (atom 42)
Step 167, Epot=-1.258190e+03, Fnorm=1.138e+02, Fmax=4.995e+02 (atom 182)
Step 168, Epot=-1.258633e+03, Fnorm=9.454e+01, Fmax=4.261e+02 (atom 105)
Step 169, Epot=-1.259209e+03, Fnorm=9.911e+01, Fmax=4.758e+02 (atom 199)
Step 170, Epot=-1.259665e+03, Fnorm=1.110e+02, Fmax=5.392e+02 (atom 141)
Step 171, Epot=-1.260265e+03, Fnorm=1.096e+02, Fmax=5.033e+02 (atom 141)
Step 172, Epot=-1.261036e+03, Fnorm=1.010e+02, Fmax=3.963e+02 (atom 42)
Step 173, Epot=-1.261970e+03, Fnorm=1.030e+02, Fmax=5.089e+02 (atom 209)
Step 174, Epot=-1.262661e+03, Fnorm=1.112e+02, Fmax=5.084e+02 (atom 182)
Step 175, Epot=-1.276163e+03, Fnorm=1.086e+02, Fmax=4.709e+02 (atom 219)
Step 176, Epot=-1.276729e+03, Fnorm=9.990e+01, Fmax=4.895e+02 (atom 219)
Step 177, Epot=-1.277280e+03, Fnorm=9.548e+01, Fmax=4.228e+02 (atom 105)
Step 178, Epot=-1.277770e+03, Fnorm=1.074e+02, Fmax=6.208e+02 (atom 42)
Step 179, Epot=-1.273765e+03, Fnorm=9.061e+01, Fmax=4.190e+02 (atom 105)
Step 180, Epot=-1.275846e+03, Fnorm=9.473e+01, Fmax=4.473e+02 (atom 242)
Step 181, Epot=-1.276005e+03, Fnorm=8.418e+01, Fmax=4.094e+02 (atom 182)
Step 182, Epot=-1.276407e+03, Fnorm=9.956e+01, Fmax=5.815e+02 (atom 105)
Step 183, Epot=-1.134981e+03, Fnorm=9.577e+01, Fmax=4.810e+02 (atom 199)
Step 184, Epot=-1.135124e+03, Fnorm=9.536e+01, Fmax=4.822e+02 (atom 199)
Step 185, Epot=-1.135253e+03, Fnorm=8.691e+01, Fmax=4.385e+02 (atom 42)
Step 186, Epot=-1.135443e+03, Fnorm=8.931e+01, Fmax=4.579e+02 (atom 228)
Step 187, Epot=-1.135577e+03, Fnorm=1.179e+02, Fmax=5.918e+02 (atom 228)
Step 188, Epot=-1.135846e+03, Fnorm=1.068e+02, Fmax=5.810e+02 (atom 105)
Step 189, Epot=-1.136075e+03, Fnorm=8.508e+01, Fmax=4.693e+02 (atom 141)
Step 190, Epot=-1.123281e+03, Fnorm=9.181e+01, Fmax=4.679e+02 (atom 141)
Step 191, Epot=-1.080766e+03, Fnorm=9.048e+01, Fmax=4.380e+02 (atom 105)
Step 192, Epot=-1.081049e+03, Fnorm=1.091e+02, Fmax=5.722e+02 (atom 25)
Step 193, Epot=-1.081513e+03, Fnorm=8.814e+01, Fmax=4.210e+02 (atom 42)
Step 194, Epot=-1.081698e+03, Fnorm=1.066e+02, Fmax=5.130e+02 (atom 228)
Step 195, Epot=-1.081909e+03, Fnorm=9.416e+01, Fmax=4.855e+02 (atom 141)
Step 196, Epot=-1.082215e+03, Fnorm=9.837e+01, Fmax=5.050e+02 (atom 199)
Step 197, Epot=-1.082441e+03, Fnorm=9.359e+01, Fmax=4.548e+02 (atom 165)
Step 198, Epot=-1.082732e+03, Fnorm=1.140e+02, Fmax=5.879e+02 (atom 105)
Step 199, Epot=-1.083129e+03, Fnorm=9.231e+01, Fmax=3.271e+02 (atom 30)
Step 200, Epot=-1.083273e+03, Fnorm=1.232e+02, Fmax=5.664e+02 (atom 42)
Step 201, Epot=-1.083607e+03, Fnorm=1.077e+02, Fmax=5.915e+02 (atom 105)
Step 202, Epot=-1.083880e+03, Fnorm=9.480e+01, Fmax=5.582e+02 (atom 13)
Step 203, Epot=-1.082447e+03, Fnorm=1.138e+02, Fmax=5.883e+02 (atom 228)
Step 204, Epot=-1.082707e+03, Fnorm=1.003e+02, Fmax=5.192e+02 (atom 199)
Step 205, Epot=-1.082951e+03, Fnorm=1.053e+02, Fmax=5.885e+02 (atom 105)
Step 206, Epot=-1.083153e+03, Fnorm=8.214e+01, Fmax=3.310e+02 (atom 63)
Step 207, Epot=-1.083354e+03, Fnorm=9.853e+01, Fmax=4.215e+02 (atom 105)
Step 208, Epot=-1.083584e+03, Fnorm=1.038e+02, Fmax=5.431e+02 (atom 165)
Step 209, Epot=-1.083792e+03, Fnorm=1.090e+02, Fmax=4.725e+02 (atom 199)
Step 210, Epot=-1.084089e+03, Fnorm=9.847e+01, Fmax=4.621e+02 (atom 199)
Step 211, Epot=-1.084380e+03, Fnorm=8.645e+01, Fmax=3.407e+02 (atom 63)
Step 212, Epot=-1.084593e+03, Fnorm=9.121e+01, Fmax=4.282e+02 (atom 105)
Step 213, Epot=-1.084725e+03, Fnorm=1.148e+02, Fmax=5.670e+02 (atom 105)
Step 214, Epot=-1.084955e+03, Fnorm=9.810e+01, Fmax=5.664e+02 (atom 105)
Step 215, Epot=-1.085106e+03, Fnorm=1.095e+02, Fmax=6.074e+02 (atom 228)
Step 216, Epot=-1.085371e+03, Fnorm=9.728e+01, Fmax=4.325e+02 (atom 105)
Step 217, Epot=-1.087222e+03, Fnorm=8.554e+01, Fmax=4.008e+02 (atom 165)
Step 218, Epot=-1.087436e+03, Fnorm=9.373e+01, Fmax=5.651e+02 (atom 105)
Step 219, Epot=-1.087647e+03, Fnorm=9.609e+01, Fmax=5.413e+02 (atom 42)
Step 220, Epot=-1.087837e+03, Fnorm=9.751e+01, Fmax=5.623e+02 (atom 105)
Step 221, Epot=-1.088016e+03, Fnorm=9.756e+01, Fmax=4.355e+02 (atom 105)
Step 222, Epot=-1.088145e+03, Fnorm=1.019e+02, Fmax=5.226e+02 (atom 42)
Step 223, Epot=-1.088172e+03, Fnorm=9.544e+01, Fmax=4.771e+02 (atom 13)
Step 224, Epot=-1.088377e+03, Fnorm=8.816e+01, Fmax=3.863e+02 (atom 189)
Step 225, Epot=-1.088458e+03, Fnorm=1.251e+02, Fmax=6.516e+02 (atom 199)
Step 226, Epot=-1.088608e+03, Fnorm=1.130e+02, Fmax=5.619e+02 (atom 105)
Step 227, Epot=-1.088814e+03, Fnorm=8.963e+01, Fmax=4.861e+02 (atom 141)
Step 228, Epot=-1.088952e+03, Fnorm=9.333e+01, Fmax=3.998e+02 (atom 42)
Step 229, Epot=-1.089072e+03, Fnorm=1.048e+02, Fmax=5.649e+02 (atom 105)
Step 230, Epot=-1.089199e+03, Fnorm=8.328e+01, Fmax=4.444e+02 (atom 141)
Step 231, Epot=-1.089303e+03, Fnorm=1.014e+02, Fmax=5.054e+02 (atom 228)
Step 232, Epot=-1.089366e+03, Fnorm=7.722e+01, Fmax=4.050e+02 (atom 42)
Step 233, Epot=-1.089500e+03, Fnorm=8.391e+01, Fmax=3.463e+02 (atom 42)
Step 234, Epot=-1.089514e+03, Fnorm=1.117e+02, Fmax=5.953e+02 (atom 42)
Step 235, Epot=-1.089703e+03, Fnorm=1.031e+02, Fmax=5.923e+02 (atom 42)
Step 236, Epot=-1.089717e+03, Fnorm=9.537e+01, Fmax=5.506e+02 (atom 165)
Step 237, Epot=-1.089939e+03, Fnorm=8.920e+01, Fmax=5.477e+02 (atom 165)
Step 238, Epot=-1.089991e+03, Fnorm=9.328e+01, Fmax=4.374e+02 (atom 165)
Step 239, Epot=-1.090120e+03, Fnorm=7.857e+01, Fmax=3.371e+02 (atom 25)
Step 240, Epot=-1.090228e+03, Fnorm=8.669e+01, Fmax=4.097e+02 (atom 182)
Step 241, Epot=-1.090288e+03, Fnorm=9.894e+01, Fmax=5.443e+02 (atom 165)
Step 242, Epot=-1.090354e+03, Fnorm=9.247e+01, Fmax=4.804e+02 (atom 42)
Step 243, Epot=-1.090436e+03, Fnorm=8.022e+01, Fmax=3.357e+02 (atom 25)
Step 244, Epot=-1.090524e+03, Fnorm=9.738e+01, Fmax=5.786e+02 (atom 105)
Step 245, Epot=-1.090599e+03, Fnorm=9.322e+01, Fmax=5.788e+02 (atom 105)
Step 246, Epot=-1.079860e+03, Fnorm=8.934e+01, Fmax=3.458e+02 (atom 42)
Step 247, Epot=-1.079927e+03, Fnorm=1.021e+02, Fmax=4.959e+02 (atom 199)
Step 248, Epot=-1.080021e+03, Fnorm=9.888e+01, Fmax=4.469e+02 (atom 219)
Step 249, Epot=-1.080106e+03, Fnorm=8.159e+01, Fmax=4.419e+02 (atom 219)
Step 250, Epot=-1.080179e+03, Fnorm=7.784e+01, Fmax=4.235e+02 (atom 105)
Step 251, Epot=-1.080210e+03, Fnorm=1.011e+02, Fmax=4.397e+02 (atom 42)
Step 252, Epot=-1.080301e+03, Fnorm=9.927e+01, Fmax=4.501e+02 (atom 141)
Step 253, Epot=-1.080363e+03, Fnorm=9.216e+01, Fmax=5.802e+02 (atom 105)
Step 254, Epot=-1.080430e+03, Fnorm=9.502e+01, Fmax=5.799e+02 (atom 105)
Step 255, Epot=-1.080534e+03, Fnorm=9.771e+01, Fmax=5.792e+02 (atom 105)
Step 256, Epot=-1.080572e+03, Fnorm=9.516e+01, Fmax=4.262e+02 (atom 105)
Step 257, Epot=-1.080653e+03, Fnorm=9.340e+01, Fmax=4.538e+02 (atom 141)
Step 258, Epot=-1.080709e+03, Fnorm=9.339e+01, Fmax=4.353e+02 (atom 165)
Step 259, Epot=-1.080782e+03, Fnorm=9.385e+01, Fmax=5.768e+02 (atom 105)
Step 260, Epot=-1.080797e+03, Fnorm=8.689e+01, Fmax=4.263e+02 (atom 105)
Step 261, Epot=-1.080845e+03, Fnorm=8.568e+01, Fmax=4.260e+02 (atom 105)
Step 262, Epot=-1.057490e+03, Fnorm=9.447e+01, Fmax=5.802e+02 (atom 105)
Step 263, Epot=-1.057578e+03, Fnorm=8.286e+01, Fmax=4.815e+02 (atom 42)
Step 264, Epot=-1.068449e+03, Fnorm=1.015e+02, Fmax=5.816e+02 (atom 105)
Step 265, Epot=-1.068543e+03, Fnorm=9.396e+01, Fmax=4.247e+02 (atom 105)
Step 266, Epot=-1.068620e+03, Fnorm=9.992e+01, Fmax=5.376e+02 (atom 228)
Step 267, Epot=-1.068662e+03, Fnorm=1.045e+02, Fmax=6.824e+02 (atom 199)
Step 268, Epot=-1.068706e+03, Fnorm=1.049e+02, Fmax=8.155e+02 (atom 42)
Step 269, Epot=-1.068764e+03, Fnorm=8.461e+01, Fmax=3.424e+02 (atom 25)
Step 270, Epot=-1.068822e+03, Fnorm=8.393e+01, Fmax=4.141e+02 (atom 42)
Step 271, Epot=-1.068848e+03, Fnorm=1.005e+02, Fmax=5.787e+02 (atom 105)
Step 272, Epot=-1.068867e+03, Fnorm=8.575e+01, Fmax=4.207e+02 (atom 105)
Step 273, Epot=-1.068899e+03, Fnorm=8.127e+01, Fmax=4.030e+02 (atom 165)
Step 274, Epot=-1.068927e+03, Fnorm=1.024e+02, Fmax=5.775e+02 (atom 105)
Step 275, Epot=-1.068973e+03, Fnorm=1.102e+02, Fmax=5.768e+02 (atom 105)
Step 276, Epot=-1.068985e+03, Fnorm=9.148e+01, Fmax=4.204e+02 (atom 105)
Step 277, Epot=-1.069048e+03, Fnorm=9.528e+01, Fmax=4.722e+02 (atom 42)
Step 278, Epot=-1.069092e+03, Fnorm=8.311e+01, Fmax=4.803e+02 (atom 165)
Step 279, Epot=-1.069147e+03, Fnorm=9.170e+01, Fmax=5.718e+02 (atom 105)
Step 280, Epot=-1.069188e+03, Fnorm=1.173e+02, Fmax=5.672e+02 (atom 105)
Step 281, Epot=-1.069270e+03, Fnorm=9.935e+01, Fmax=4.246e+02 (atom 105)
Step 282, Epot=-1.069298e+03, Fnorm=8.918e+01, Fmax=4.240e+02 (atom 105)
Step 283, Epot=-1.069343e+03, Fnorm=9.178e+01, Fmax=4.802e+02 (atom 165)
Step 284, Epot=-1.069386e+03, Fnorm=9.862e+01, Fmax=5.675e+02 (atom 105)
Step 285, Epot=-1.069418e+03, Fnorm=8.775e+01, Fmax=4.234e+02 (atom 199)
Step 286, Epot=-1.069465e+03, Fnorm=9.815e+01, Fmax=5.914e+02 (atom 42)
Step 287, Epot=-1.069500e+03, Fnorm=9.165e+01, Fmax=4.247e+02 (atom 39)
Step 288, Epot=-1.069517e+03, Fnorm=9.039e+01, Fmax=4.477e+02 (atom 219)
Step 289, Epot=-1.069555e+03, Fnorm=8.718e+01, Fmax=4.446e+02 (atom 219)
Step 290, Epot=-1.069570e+03, Fnorm=8.745e+01, Fmax=5.672e+02 (atom 105)
Step 291, Epot=-1.069598e+03, Fnorm=7.577e+01, Fmax=3.520e+02 (atom 90)
Step 292, Epot=-1.069606e+03, Fnorm=9.623e+01, Fmax=5.932e+02 (atom 42)
Step 293, Epot=-1.069639e+03, Fnorm=8.841e+01, Fmax=4.741e+02 (atom 42)
Step 294, Epot=-1.069684e+03, Fnorm=7.969e+01, Fmax=4.103e+02 (atom 42)
Step 295, Epot=-1.069721e+03, Fnorm=7.764e+01, Fmax=3.190e+02 (atom 63)
Step 296, Epot=-1.069766e+03, Fnorm=9.464e+01, Fmax=5.977e+02 (atom 42)
Step 297, Epot=-1.069776e+03, Fnorm=9.387e+01, Fmax=5.069e+02 (atom 199)
Step 298, Epot=-1.069826e+03, Fnorm=9.456e+01, Fmax=5.197e+02 (atom 189)
Step 299, Epot=-1.069861e+03, Fnorm=9.412e+01, Fmax=4.367e+02 (atom 182)
Step 300, Epot=-1.069908e+03, Fnorm=8.767e+01, Fmax=4.369e+02 (atom 182)
Step 301, Epot=-1.069935e+03, Fnorm=9.417e+01, Fmax=4.596e+02 (atom 141)
Step 302, Epot=-1.069963e+03, Fnorm=9.772e+01, Fmax=5.992e+02 (atom 42)
Step 303, Epot=-1.069990e+03, Fnorm=7.489e+01, Fmax=3.677e+02 (atom 165)
Step 304, Epot=-1.070028e+03, Fnorm=7.797e+01, Fmax=4.385e+02 (atom 165)
Step 305, Epot=-1.070066e+03, Fnorm=9.055e+01, Fmax=5.664e+02 (atom 105)
Step 306, Epot=-1.070098e+03, Fnorm=9.589e+01, Fmax=6.754e+02 (atom 42)
Step 307, Epot=-1.070153e+03, Fnorm=8.879e+01, Fmax=4.227e+02 (atom 199)
Step 308, Epot=-1.070189e+03, Fnorm=9.186e+01, Fmax=5.566e+02 (atom 228)
Step 309, Epot=-1.070217e+03, Fnorm=8.924e+01, Fmax=4.404e+02 (atom 105)
Step 310, Epot=-1.070239e+03, Fnorm=7.652e+01, Fmax=4.404e+02 (atom 105)
Step 311, Epot=-1.070270e+03, Fnorm=9.694e+01, Fmax=5.671e+02 (atom 105)
Step 312, Epot=-1.070295e+03, Fnorm=1.051e+02, Fmax=5.252e+02 (atom 228)
Step 313, Epot=-1.070317e+03, Fnorm=8.043e+01, Fmax=3.535e+02 (atom 165)
Step 314, Epot=-1.070335e+03, Fnorm=8.380e+01, Fmax=4.395e+02 (atom 105)
Step 315, Epot=-1.070354e+03, Fnorm=9.411e+01, Fmax=4.828e+02 (atom 25)
Step 316, Epot=-1.070383e+03, Fnorm=8.683e+01, Fmax=4.393e+02 (atom 105)
Step 317, Epot=-1.070408e+03, Fnorm=8.603e+01, Fmax=4.358e+02 (atom 165)
Step 318, Epot=-1.070421e+03, Fnorm=8.081e+01, Fmax=5.133e+02 (atom 199)
Step 319, Epot=-1.070433e+03, Fnorm=8.414e+01, Fmax=5.133e+02 (atom 199)
Step 320, Epot=-1.059633e+03, Fnorm=9.144e+01, Fmax=4.364e+02 (atom 105)
Step 321, Epot=-1.059650e+03, Fnorm=7.861e+01, Fmax=2.895e+02 (atom 42)
Step 322, Epot=-1.059679e+03, Fnorm=7.746e+01, Fmax=3.294e+02 (atom 242)
Step 323, Epot=-1.059681e+03, Fnorm=9.024e+01, Fmax=5.254e+02 (atom 165)
Step 324, Epot=-1.059714e+03, Fnorm=9.130e+01, Fmax=5.248e+02 (atom 165)
Step 325, Epot=-1.059720e+03, Fnorm=1.115e+02, Fmax=6.871e+02 (atom 199)
Step 326, Epot=-1.059753e+03, Fnorm=7.244e+01, Fmax=3.926e+02 (atom 219)
Step 327, Epot=-1.059760e+03, Fnorm=9.262e+01, Fmax=5.257e+02 (atom 165)
Step 328, Epot=-1.059783e+03, Fnorm=8.732e+01, Fmax=3.641e+02 (atom 42)
Step 329, Epot=-1.059802e+03, Fnorm=8.837e+01, Fmax=4.881e+02 (atom 228)
Step 330, Epot=-1.059818e+03, Fnorm=1.026e+02, Fmax=6.864e+02 (atom 199)
Step 331, Epot=-1.059851e+03, Fnorm=8.928e+01, Fmax=4.712e+02 (atom 189)
Step 332, Epot=-1.059872e+03, Fnorm=9.097e+01, Fmax=4.247e+02 (atom 182)
Step 333, Epot=-1.059900e+03, Fnorm=9.317e+01, Fmax=4.236e+02 (atom 182)
Step 334, Epot=-1.059915e+03, Fnorm=1.078e+02, Fmax=8.157e+02 (atom 42)
Step 335, Epot=-1.059945e+03, Fnorm=8.756e+01, Fmax=3.932e+02 (atom 219)
Step 336, Epot=-1.059958e+03, Fnorm=9.647e+01, Fmax=6.843e+02 (atom 199)
Step 337, Epot=-1.059962e+03, Fnorm=7.757e+01, Fmax=4.288e+02 (atom 105)
Step 338, Epot=-1.059978e+03, Fnorm=8.591e+01, Fmax=4.284e+02 (atom 105)
Step 339, Epot=-1.059980e+03, Fnorm=1.025e+02, Fmax=6.835e+02 (atom 199)
Step 340, Epot=-1.059994e+03, Fnorm=8.066e+01, Fmax=4.603e+02 (atom 42)
Step 341, Epot=-1.060017e+03, Fnorm=6.939e+01, Fmax=2.973e+02 (atom 228)
Step 342, Epot=-1.060032e+03, Fnorm=8.914e+01, Fmax=4.295e+02 (atom 105)
Step 343, Epot=-1.060054e+03, Fnorm=9.995e+01, Fmax=4.476e+02 (atom 165)
Step 344, Epot=-1.060083e+03, Fnorm=9.134e+01, Fmax=4.592e+02 (atom 42)
Step 345, Epot=-1.060108e+03, Fnorm=9.607e+01, Fmax=6.057e+02 (atom 42)
Step 346, Epot=-1.060133e+03, Fnorm=1.009e+02, Fmax=5.699e+02 (atom 105)
Step 347, Epot=-1.060155e+03, Fnorm=1.065e+02, Fmax=5.199e+02 (atom 165)
Step 348, Epot=-1.060200e+03, Fnorm=9.537e+01, Fmax=4.087e+02 (atom 182)
Step 349, Epot=-1.060261e+03, Fnorm=9.393e+01, Fmax=4.842e+02 (atom 141)
Step 350, Epot=-1.060317e+03, Fnorm=9.876e+01, Fmax=4.443e+02 (atom 165)
Step 351, Epot=-1.060358e+03, Fnorm=7.721e+01, Fmax=2.778e+02 (atom 199)
Step 352, Epot=-1.060389e+03, Fnorm=9.182e+01, Fmax=6.820e+02 (atom 199)
Step 353, Epot=-1.060416e+03, Fnorm=9.368e+01, Fmax=6.821e+02 (atom 199)
Step 354, Epot=-1.060472e+03, Fnorm=9.580e+01, Fmax=6.814e+02 (atom 199)
Step 355, Epot=-1.060515e+03, Fnorm=1.016e+02, Fmax=5.779e+02 (atom 42)
Step 356, Epot=-1.035729e+03, Fnorm=9.473e+01, Fmax=5.363e+02 (atom 228)
Step 357, Epot=-1.035791e+03, Fnorm=9.387e+01, Fmax=5.705e+02 (atom 105)
Step 358, Epot=-1.035864e+03, Fnorm=9.318e+01, Fmax=5.006e+02 (atom 199)
Step 359, Epot=-1.035936e+03, Fnorm=1.028e+02, Fmax=5.709e+02 (atom 105)
Step 360, Epot=-1.059393e+03, Fnorm=1.100e+02, Fmax=6.744e+02 (atom 189)
Step 361, Epot=-1.036049e+03, Fnorm=8.766e+01, Fmax=4.324e+02 (atom 105)
Step 362, Epot=-1.036137e+03, Fnorm=8.740e+01, Fmax=5.724e+02 (atom 105)
Step 363, Epot=-1.036195e+03, Fnorm=9.868e+01, Fmax=5.831e+02 (atom 189)
Step 364, Epot=-1.036231e+03, Fnorm=9.815e+01, Fmax=4.774e+02 (atom 141)
Step 365, Epot=-1.059741e+03, Fnorm=1.161e+02, Fmax=7.589e+02 (atom 242)
Step 366, Epot=-1.059782e+03, Fnorm=9.088e+01, Fmax=4.602e+02 (atom 165)
Step 367, Epot=-1.059808e+03, Fnorm=9.447e+01, Fmax=5.061e+02 (atom 25)
Step 368, Epot=-1.059862e+03, Fnorm=8.964e+01, Fmax=4.465e+02 (atom 242)
Step 369, Epot=-1.059904e+03, Fnorm=1.049e+02, Fmax=5.095e+02 (atom 25)
Step 370, Epot=-1.059980e+03, Fnorm=1.128e+02, Fmax=6.784e+02 (atom 199)
Step 371, Epot=-1.060043e+03, Fnorm=8.675e+01, Fmax=4.190e+02 (atom 141)
Step 372, Epot=-1.060101e+03, Fnorm=8.576e+01, Fmax=4.331e+02 (atom 105)
Step 373, Epot=-1.060106e+03, Fnorm=9.852e+01, Fmax=4.861e+02 (atom 228)
Step 374, Epot=-1.060148e+03, Fnorm=8.755e+01, Fmax=4.321e+02 (atom 105)
Step 375, Epot=-1.060190e+03, Fnorm=9.099e+01, Fmax=3.865e+02 (atom 42)
Step 376, Epot=-1.060209e+03, Fnorm=9.376e+01, Fmax=5.685e+02 (atom 105)
Step 377, Epot=-1.060249e+03, Fnorm=9.487e+01, Fmax=5.678e+02 (atom 105)
Step 378, Epot=-1.060304e+03, Fnorm=8.054e+01, Fmax=4.247e+02 (atom 42)
Step 379, Epot=-1.060348e+03, Fnorm=8.868e+01, Fmax=5.096e+02 (atom 199)
Step 380, Epot=-1.060384e+03, Fnorm=9.354e+01, Fmax=4.990e+02 (atom 228)
Step 381, Epot=-1.058720e+03, Fnorm=1.104e+02, Fmax=8.044e+02 (atom 42)
Step 382, Epot=-1.058759e+03, Fnorm=9.859e+01, Fmax=5.955e+02 (atom 42)
Step 383, Epot=-1.058788e+03, Fnorm=9.710e+01, Fmax=5.671e+02 (atom 105)
Step 384, Epot=-1.058835e+03, Fnorm=9.584e+01, Fmax=5.664e+02 (atom 105)
Step 385, Epot=-1.058890e+03, Fnorm=8.661e+01, Fmax=4.300e+02 (atom 105)
Step 386, Epot=-1.058930e+03, Fnorm=9.591e+01, Fmax=8.063e+02 (atom 42)
Step 387, Epot=-1.058975e+03, Fnorm=8.408e+01, Fmax=4.177e+02 (atom 90)
Step 388, Epot=-1.059022e+03, Fnorm=8.388e+01, Fmax=4.959e+02 (atom 228)
Step 389, Epot=-1.059062e+03, Fnorm=7.322e+01, Fmax=4.276e+02 (atom 105)
Step 390, Epot=-1.059083e+03, Fnorm=9.182e+01, Fmax=5.659e+02 (atom 105)
Step 391, Epot=-1.059126e+03, Fnorm=8.696e+01, Fmax=5.133e+02 (atom 199)
Step 392, Epot=-1.059149e+03, Fnorm=8.858e+01, Fmax=4.271e+02 (atom 105)
Step 393, Epot=-1.059191e+03, Fnorm=9.069e+01, Fmax=4.492e+02 (atom 165)
Step 394, Epot=-1.059197e+03, Fnorm=1.039e+02, Fmax=7.289e+02 (atom 242)
Step 395, Epot=-1.059247e+03, Fnorm=1.036e+02, Fmax=7.249e+02 (atom 242)
Step 396, Epot=-1.059260e+03, Fnorm=8.559e+01, Fmax=4.360e+02 (atom 165)
Step 397, Epot=-1.059311e+03, Fnorm=8.974e+01, Fmax=4.350e+02 (atom 165)
Step 398, Epot=-1.059344e+03, Fnorm=9.014e+01, Fmax=4.394e+02 (atom 199)
Step 399, Epot=-1.059371e+03, Fnorm=8.540e+01, Fmax=4.440e+02 (atom 42)
Step 400, Epot=-1.035957e+03, Fnorm=1.059e+02, Fmax=7.086e+02 (atom 242)
Step 401, Epot=-1.035974e+03, Fnorm=1.110e+02, Fmax=8.735e+02 (atom 42)
Step 402, Epot=-1.036007e+03, Fnorm=8.638e+01, Fmax=5.670e+02 (atom 105)
Step 403, Epot=-1.036039e+03, Fnorm=9.135e+01, Fmax=4.449e+02 (atom 165)
Step 404, Epot=-1.036042e+03, Fnorm=1.136e+02, Fmax=7.040e+02 (atom 242)
Step 405, Epot=-1.036091e+03, Fnorm=1.057e+02, Fmax=4.772e+02 (atom 228)
Step 406, Epot=-1.036119e+03, Fnorm=7.623e+01, Fmax=2.983e+02 (atom 63)
Step 407, Epot=-1.036149e+03, Fnorm=9.431e+01, Fmax=5.663e+02 (atom 105)
Step 408, Epot=-1.036175e+03, Fnorm=1.148e+02, Fmax=6.374e+02 (atom 42)
Step 409, Epot=-1.036227e+03, Fnorm=9.117e+01, Fmax=3.925e+02 (atom 182)
Step 410, Epot=-1.036259e+03, Fnorm=8.183e+01, Fmax=4.298e+02 (atom 105)
Step 411, Epot=-1.036277e+03, Fnorm=9.820e+01, Fmax=4.298e+02 (atom 105)
Step 412, Epot=-1.036312e+03, Fnorm=1.073e+02, Fmax=5.640e+02 (atom 105)
Step 413, Epot=-1.036347e+03, Fnorm=9.613e+01, Fmax=4.891e+02 (atom 228)
Step 414, Epot=-1.036360e+03, Fnorm=8.596e+01, Fmax=3.724e+02 (atom 42)
Step 415, Epot=-1.036400e+03, Fnorm=9.183e+01, Fmax=5.628e+02 (atom 105)
Step 416, Epot=-1.036428e+03, Fnorm=8.062e+01, Fmax=4.318e+02 (atom 105)
Step 417, Epot=-1.036462e+03, Fnorm=7.780e+01, Fmax=4.320e+02 (atom 105)
Step 418, Epot=-1.036513e+03, Fnorm=1.179e+02, Fmax=7.527e+02 (atom 189)
Step 419, Epot=-1.036549e+03, Fnorm=1.011e+02, Fmax=5.602e+02 (atom 105)
Step 420, Epot=-1.036582e+03, Fnorm=9.304e+01, Fmax=4.086e+02 (atom 219)
Step 421, Epot=-1.036600e+03, Fnorm=9.533e+01, Fmax=5.906e+02 (atom 42)
Step 422, Epot=-1.036623e+03, Fnorm=7.527e+01, Fmax=2.946e+02 (atom 165)
Step 423, Epot=-1.036637e+03, Fnorm=8.183e+01, Fmax=5.108e+02 (atom 199)
Step 424, Epot=-1.036650e+03, Fnorm=1.010e+02, Fmax=5.584e+02 (atom 105)
Step 425, Epot=-1.036669e+03, Fnorm=8.056e+01, Fmax=3.442e+02 (atom 165)
Step 426, Epot=-1.036684e+03, Fnorm=8.232e+01, Fmax=4.360e+02 (atom 105)
Step 427, Epot=-1.036665e+03, Fnorm=8.746e+01, Fmax=4.861e+02 (atom 141)
Step 428, Epot=-1.036701e+03, Fnorm=8.698e+01, Fmax=4.480e+02 (atom 165)
Step 429, Epot=-1.036749e+03, Fnorm=8.339e+01, Fmax=4.741e+02 (atom 141)
Step 430, Epot=-1.036766e+03, Fnorm=9.199e+01, Fmax=4.476e+02 (atom 165)
Step 431, Epot=-1.036800e+03, Fnorm=8.718e+01, Fmax=4.470e+02 (atom 165)
Step 432, Epot=-1.036805e+03, Fnorm=7.888e+01, Fmax=4.195e+02 (atom 242)
Step 433, Epot=-1.036845e+03, Fnorm=8.964e+01, Fmax=5.102e+02 (atom 165)
Step 434, Epot=-1.036857e+03, Fnorm=8.894e+01, Fmax=3.801e+02 (atom 182)
Step 435, Epot=-1.036896e+03, Fnorm=8.944e+01, Fmax=5.581e+02 (atom 105)
Step 436, Epot=-1.036914e+03, Fnorm=8.728e+01, Fmax=4.411e+02 (atom 90)
Step 437, Epot=-1.036930e+03, Fnorm=9.238e+01, Fmax=4.378e+02 (atom 141)
Step 438, Epot=-1.036945e+03, Fnorm=9.216e+01, Fmax=5.202e+02 (atom 189)
Step 439, Epot=-1.036959e+03, Fnorm=9.905e+01, Fmax=7.044e+02 (atom 242)
Step 440, Epot=-1.036980e+03, Fnorm=8.415e+01, Fmax=4.415e+02 (atom 105)
Step 441, Epot=-1.037002e+03, Fnorm=9.269e+01, Fmax=5.557e+02 (atom 105)
Step 442, Epot=-1.037025e+03, Fnorm=1.103e+02, Fmax=5.542e+02 (atom 105)
Step 443, Epot=-1.037046e+03, Fnorm=8.212e+01, Fmax=3.255e+02 (atom 63)
Step 444, Epot=-1.037065e+03, Fnorm=9.202e+01, Fmax=4.436e+02 (atom 105)
Step 445, Epot=-1.037077e+03, Fnorm=8.762e+01, Fmax=5.803e+02 (atom 42)
Step 446, Epot=-1.037097e+03, Fnorm=7.406e+01, Fmax=2.971e+02 (atom 189)
Step 447, Epot=-1.037102e+03, Fnorm=9.349e+01, Fmax=3.936e+02 (atom 42)
Step 448, Epot=-1.037135e+03, Fnorm=7.863e+01, Fmax=3.737e+02 (atom 13)
Step 449, Epot=-1.037172e+03, Fnorm=7.100e+01, Fmax=2.773e+02 (atom 209)
Step 450, Epot=-1.037182e+03, Fnorm=9.505e+01, Fmax=6.748e+02 (atom 199)
Step 451, Epot=-1.037216e+03, Fnorm=1.089e+02, Fmax=6.734e+02 (atom 199)
Step 452, Epot=-1.037225e+03, Fnorm=1.118e+02, Fmax=5.499e+02 (atom 105)
Step 453, Epot=-1.037276e+03, Fnorm=8.811e+01, Fmax=5.495e+02 (atom 105)
Step 454, Epot=-1.037312e+03, Fnorm=7.827e+01, Fmax=3.323e+02 (atom 189)
Step 455, Epot=-1.037354e+03, Fnorm=1.014e+02, Fmax=5.820e+02 (atom 42)
Step 456, Epot=-1.037384e+03, Fnorm=1.040e+02, Fmax=7.266e+02 (atom 242)
Step 457, Epot=-1.037401e+03, Fnorm=8.666e+01, Fmax=5.562e+02 (atom 189)
Step 458, Epot=-1.037432e+03, Fnorm=8.233e+01, Fmax=3.748e+02 (atom 189)
Step 459, Epot=-1.037445e+03, Fnorm=7.544e+01, Fmax=4.545e+02 (atom 165)
Step 460, Epot=-1.037469e+03, Fnorm=8.071e+01, Fmax=4.538e+02 (atom 165)
Step 461, Epot=-1.037484e+03, Fnorm=1.098e+02, Fmax=6.650e+02 (atom 199)
Step 462, Epot=-1.037507e+03, Fnorm=9.206e+01, Fmax=5.129e+02 (atom 228)
Step 463, Epot=-1.037531e+03, Fnorm=9.504e+01, Fmax=5.388e+02 (atom 189)
Step 464, Epot=-1.037540e+03, Fnorm=8.772e+01, Fmax=5.462e+02 (atom 105)
Step 465, Epot=-1.037557e+03, Fnorm=8.141e+01, Fmax=3.886e+02 (atom 42)
Step 466, Epot=-1.037561e+03, Fnorm=9.802e+01, Fmax=4.843e+02 (atom 199)
Step 467, Epot=-1.037578e+03, Fnorm=9.180e+01, Fmax=4.476e+02 (atom 105)
Step 468, Epot=-1.037591e+03, Fnorm=8.268e+01, Fmax=3.252e+02 (atom 42)
Step 469, Epot=-1.037603e+03, Fnorm=8.604e+01, Fmax=5.465e+02 (atom 105)
Step 470, Epot=-1.037615e+03, Fnorm=8.962e+01, Fmax=6.655e+02 (atom 199)
Step 471, Epot=-1.037622e+03, Fnorm=9.757e+01, Fmax=5.471e+02 (atom 105)
Step 472, Epot=-1.037642e+03, Fnorm=1.010e+02, Fmax=4.725e+02 (atom 42)
Step 473, Epot=-1.037653e+03, Fnorm=1.009e+02, Fmax=4.826e+02 (atom 42)
Step 474, Epot=-1.037671e+03, Fnorm=1.036e+02, Fmax=5.872e+02 (atom 42)
Step 475, Epot=-1.037690e+03, Fnorm=7.969e+01, Fmax=3.648e+02 (atom 182)
Step 476, Epot=-1.037713e+03, Fnorm=9.377e+01, Fmax=5.476e+02 (atom 105)
Step 477, Epot=-1.037737e+03, Fnorm=9.768e+01, Fmax=7.338e+02 (atom 189)
Step 478, Epot=-1.037752e+03, Fnorm=7.917e+01, Fmax=3.178e+02 (atom 122)
Step 479, Epot=-1.037778e+03, Fnorm=8.274e+01, Fmax=4.463e+02 (atom 105)
Step 480, Epot=-1.037789e+03, Fnorm=9.937e+01, Fmax=5.107e+02 (atom 165)
Step 481, Epot=-1.037817e+03, Fnorm=8.891e+01, Fmax=5.510e+02 (atom 105)
Step 482, Epot=-1.037835e+03, Fnorm=8.756e+01, Fmax=5.238e+02 (atom 228)
Step 483, Epot=-1.037861e+03, Fnorm=7.612e+01, Fmax=4.447e+02 (atom 165)
Step 484, Epot=-1.037884e+03, Fnorm=7.911e+01, Fmax=3.730e+02 (atom 219)
Step 485, Epot=-1.037899e+03, Fnorm=9.564e+01, Fmax=5.528e+02 (atom 105)
Step 486, Epot=-1.037917e+03, Fnorm=1.040e+02, Fmax=8.088e+02 (atom 42)
Step 487, Epot=-1.037942e+03, Fnorm=8.667e+01, Fmax=4.451e+02 (atom 105)
Step 488, Epot=-1.037954e+03, Fnorm=9.640e+01, Fmax=4.875e+02 (atom 189)
Step 489, Epot=-1.037973e+03, Fnorm=1.046e+02, Fmax=6.796e+02 (atom 242)
Step 490, Epot=-1.038009e+03, Fnorm=1.046e+02, Fmax=4.756e+02 (atom 141)
Step 491, Epot=-1.038040e+03, Fnorm=9.373e+01, Fmax=4.765e+02 (atom 141)
Step 492, Epot=-1.038076e+03, Fnorm=1.058e+02, Fmax=6.875e+02 (atom 242)
Step 493, Epot=-1.038088e+03, Fnorm=1.167e+02, Fmax=6.265e+02 (atom 42)
Step 494, Epot=-1.038119e+03, Fnorm=9.551e+01, Fmax=5.551e+02 (atom 105)
Step 495, Epot=-1.038139e+03, Fnorm=9.064e+01, Fmax=4.401e+02 (atom 105)
Step 496, Epot=-1.038156e+03, Fnorm=9.012e+01, Fmax=4.396e+02 (atom 105)
Step 497, Epot=-1.038183e+03, Fnorm=9.375e+01, Fmax=4.740e+02 (atom 141)
Step 498, Epot=-1.038190e+03, Fnorm=1.009e+02, Fmax=5.687e+02 (atom 42)
Step 499, Epot=-1.038211e+03, Fnorm=9.290e+01, Fmax=5.563e+02 (atom 105)
Step 500, Epot=-1.038228e+03, Fnorm=8.923e+01, Fmax=5.554e+02 (atom 105)
Step 501, Epot=-1.038242e+03, Fnorm=8.509e+01, Fmax=4.380e+02 (atom 105)
Step 502, Epot=-1.038262e+03, Fnorm=8.846e+01, Fmax=3.854e+02 (atom 42)
Step 503, Epot=-1.038286e+03, Fnorm=9.686e+01, Fmax=4.443e+02 (atom 165)
Step 504, Epot=-1.038312e+03, Fnorm=8.532e+01, Fmax=4.967e+02 (atom 141)
Step 505, Epot=-1.038331e+03, Fnorm=8.212e+01, Fmax=3.977e+02 (atom 199)
Step 506, Epot=-1.038359e+03, Fnorm=9.315e+01, Fmax=5.718e+02 (atom 42)
Step 507, Epot=-1.038376e+03, Fnorm=9.062e+01, Fmax=4.325e+02 (atom 105)
Step 508, Epot=-1.038399e+03, Fnorm=8.132e+01, Fmax=3.430e+02 (atom 182)
Step 509, Epot=-1.038408e+03, Fnorm=1.009e+02, Fmax=7.384e+02 (atom 189)
Step 510, Epot=-1.038443e+03, Fnorm=7.952e+01, Fmax=4.266e+02 (atom 42)
Step 511, Epot=-1.063347e+03, Fnorm=9.414e+01, Fmax=6.646e+02 (atom 199)
Step 512, Epot=-1.063381e+03, Fnorm=8.411e+01, Fmax=4.309e+02 (atom 105)
Step 513, Epot=-1.063395e+03, Fnorm=8.446e+01, Fmax=5.576e+02 (atom 105)
Step 514, Epot=-1.063419e+03, Fnorm=8.754e+01, Fmax=5.572e+02 (atom 105)
Step 515, Epot=-1.063448e+03, Fnorm=8.734e+01, Fmax=4.517e+02 (atom 219)
Step 516, Epot=-1.063482e+03, Fnorm=1.002e+02, Fmax=5.770e+02 (atom 42)
Step 517, Epot=-1.097767e+03, Fnorm=8.968e+01, Fmax=4.310e+02 (atom 105)
Step 518, Epot=-1.074340e+03, Fnorm=8.926e+01, Fmax=4.310e+02 (atom 105)
Step 519, Epot=-1.063522e+03, Fnorm=8.012e+01, Fmax=4.282e+02 (atom 199)
Step 520, Epot=-1.063528e+03, Fnorm=8.486e+01, Fmax=5.560e+02 (atom 105)
Step 521, Epot=-1.063553e+03, Fnorm=9.373e+01, Fmax=5.559e+02 (atom 105)
Step 522, Epot=-1.097803e+03, Fnorm=1.020e+02, Fmax=6.049e+02 (atom 42)
Step 523, Epot=-1.097857e+03, Fnorm=9.249e+01, Fmax=5.748e+02 (atom 42)
Step 524, Epot=-1.097880e+03, Fnorm=7.408e+01, Fmax=3.443e+02 (atom 13)
Step 525, Epot=-1.074448e+03, Fnorm=7.493e+01, Fmax=3.542e+02 (atom 219)
Step 526, Epot=-1.074461e+03, Fnorm=8.848e+01, Fmax=5.558e+02 (atom 105)
Step 527, Epot=-1.074481e+03, Fnorm=9.631e+01, Fmax=4.869e+02 (atom 199)
Step 528, Epot=-1.074507e+03, Fnorm=1.061e+02, Fmax=4.872e+02 (atom 189)
Step 529, Epot=-1.074529e+03, Fnorm=8.188e+01, Fmax=4.316e+02 (atom 105)
Step 530, Epot=-1.074565e+03, Fnorm=9.988e+01, Fmax=5.271e+02 (atom 228)
Step 531, Epot=-1.074584e+03, Fnorm=1.093e+02, Fmax=5.564e+02 (atom 189)
Step 532, Epot=-1.074613e+03, Fnorm=9.473e+01, Fmax=5.558e+02 (atom 189)
Step 533, Epot=-1.074630e+03, Fnorm=6.713e+01, Fmax=2.959e+02 (atom 199)
Step 534, Epot=-1.074653e+03, Fnorm=8.087e+01, Fmax=3.812e+02 (atom 42)
Step 535, Epot=-1.074675e+03, Fnorm=9.534e+01, Fmax=5.562e+02 (atom 105)
Step 536, Epot=-1.074702e+03, Fnorm=9.744e+01, Fmax=5.422e+02 (atom 228)
Step 537, Epot=-1.074719e+03, Fnorm=9.925e+01, Fmax=4.746e+02 (atom 90)
Step 538, Epot=-1.074730e+03, Fnorm=1.047e+02, Fmax=9.230e+02 (atom 42)
Step 539, Epot=-1.074750e+03, Fnorm=1.146e+02, Fmax=9.228e+02 (atom 42)
Step 540, Epot=-1.074760e+03, Fnorm=1.005e+02, Fmax=5.539e+02 (atom 105)
Step 541, Epot=-1.074784e+03, Fnorm=8.763e+01, Fmax=5.533e+02 (atom 105)
Step 542, Epot=-1.074809e+03, Fnorm=9.733e+01, Fmax=4.686e+02 (atom 189)
Step 543, Epot=-1.074831e+03, Fnorm=1.219e+02, Fmax=7.205e+02 (atom 242)
Step 544, Epot=-1.074853e+03, Fnorm=1.225e+02, Fmax=7.233e+02 (atom 242)
Step 545, Epot=-1.074859e+03, Fnorm=1.008e+02, Fmax=6.671e+02 (atom 199)
Step 546, Epot=-1.074892e+03, Fnorm=7.893e+01, Fmax=3.336e+02 (atom 182)
Step 547, Epot=-1.074910e+03, Fnorm=9.897e+01, Fmax=5.508e+02 (atom 105)
Step 548, Epot=-1.074929e+03, Fnorm=8.995e+01, Fmax=4.719e+02 (atom 141)
Step 549, Epot=-1.074940e+03, Fnorm=9.115e+01, Fmax=4.544e+02 (atom 42)
Step 550, Epot=-1.074966e+03, Fnorm=8.653e+01, Fmax=4.756e+02 (atom 189)
Step 551, Epot=-1.074997e+03, Fnorm=8.041e+01, Fmax=5.441e+02 (atom 228)
Step 552, Epot=-1.075006e+03, Fnorm=9.616e+01, Fmax=5.695e+02 (atom 182)
Step 553, Epot=-1.075050e+03, Fnorm=8.470e+01, Fmax=4.154e+02 (atom 189)
Step 554, Epot=-1.075069e+03, Fnorm=9.235e+01, Fmax=4.350e+02 (atom 105)
Step 555, Epot=-1.075082e+03, Fnorm=9.678e+01, Fmax=4.673e+02 (atom 165)
Step 556, Epot=-1.075129e+03, Fnorm=9.662e+01, Fmax=4.860e+02 (atom 189)
Step 557, Epot=-1.075137e+03, Fnorm=9.756e+01, Fmax=5.045e+02 (atom 165)
Step 558, Epot=-1.075180e+03, Fnorm=8.701e+01, Fmax=5.519e+02 (atom 105)
Step 559, Epot=-1.075229e+03, Fnorm=8.941e+01, Fmax=4.904e+02 (atom 42)
Step 560, Epot=-1.075290e+03, Fnorm=8.649e+01, Fmax=4.920e+02 (atom 42)
Step 561, Epot=-1.075294e+03, Fnorm=1.158e+02, Fmax=7.381e+02 (atom 189)
Step 562, Epot=-1.075346e+03, Fnorm=9.241e+01, Fmax=5.492e+02 (atom 105)
Step 563, Epot=-1.075370e+03, Fnorm=8.907e+01, Fmax=5.486e+02 (atom 105)
Step 564, Epot=-1.075395e+03, Fnorm=8.125e+01, Fmax=4.390e+02 (atom 105)
Step 565, Epot=-1.075426e+03, Fnorm=7.578e+01, Fmax=4.397e+02 (atom 105)
Step 566, Epot=-1.075444e+03, Fnorm=8.453e+01, Fmax=3.772e+02 (atom 219)
Step 567, Epot=-1.075481e+03, Fnorm=9.311e+01, Fmax=4.091e+02 (atom 141)
Step 568, Epot=-1.075524e+03, Fnorm=9.105e+01, Fmax=4.423e+02 (atom 105)
Step 569, Epot=-1.075546e+03, Fnorm=9.972e+01, Fmax=6.904e+02 (atom 242)
Step 570, Epot=-1.075571e+03, Fnorm=8.234e+01, Fmax=5.442e+02 (atom 105)
Step 571, Epot=-1.075593e+03, Fnorm=8.914e+01, Fmax=4.442e+02 (atom 105)
Step 572, Epot=-1.075610e+03, Fnorm=9.152e+01, Fmax=4.451e+02 (atom 105)
Step 573, Epot=-1.075637e+03, Fnorm=8.771e+01, Fmax=4.458e+02 (atom 105)
Step 574, Epot=-1.075650e+03, Fnorm=9.419e+01, Fmax=6.646e+02 (atom 199)
Step 575, Epot=-1.075677e+03, Fnorm=9.003e+01, Fmax=5.399e+02 (atom 105)
Step 576, Epot=-1.075684e+03, Fnorm=8.487e+01, Fmax=4.562e+02 (atom 182)
Step 577, Epot=-1.075709e+03, Fnorm=8.002e+01, Fmax=4.547e+02 (atom 182)
Step 578, Epot=-1.075726e+03, Fnorm=9.710e+01, Fmax=4.488e+02 (atom 105)
Step 579, Epot=-1.064899e+03, Fnorm=1.000e+02, Fmax=4.799e+02 (atom 141)
Step 580, Epot=-1.064907e+03, Fnorm=1.085e+02, Fmax=5.378e+02 (atom 105)
Step 581, Epot=-1.064924e+03, Fnorm=9.808e+01, Fmax=5.385e+02 (atom 105)
Step 582, Epot=-1.075772e+03, Fnorm=1.110e+02, Fmax=7.075e+02 (atom 242)
Step 583, Epot=-1.075777e+03, Fnorm=8.893e+01, Fmax=4.491e+02 (atom 105)
Step 584, Epot=-1.064963e+03, Fnorm=9.038e+01, Fmax=5.965e+02 (atom 42)
Step 585, Epot=-1.064979e+03, Fnorm=9.151e+01, Fmax=5.384e+02 (atom 105)
Step 586, Epot=-1.064989e+03, Fnorm=1.016e+02, Fmax=5.379e+02 (atom 105)
Step 587, Epot=-1.065002e+03, Fnorm=1.147e+02, Fmax=5.837e+02 (atom 42)
Step 588, Epot=-1.065018e+03, Fnorm=9.617e+01, Fmax=5.031e+02 (atom 40)
Step 589, Epot=-1.065030e+03, Fnorm=9.415e+01, Fmax=5.945e+02 (atom 42)
Step 590, Epot=-1.065039e+03, Fnorm=7.748e+01, Fmax=4.530e+02 (atom 105)
Step 591, Epot=-1.065052e+03, Fnorm=8.599e+01, Fmax=4.784e+02 (atom 189)
Step 592, Epot=-1.065066e+03, Fnorm=9.026e+01, Fmax=6.646e+02 (atom 199)
Step 593, Epot=-1.065078e+03, Fnorm=1.063e+02, Fmax=5.708e+02 (atom 189)
Step 594, Epot=-1.065091e+03, Fnorm=8.283e+01, Fmax=4.188e+02 (atom 189)
Step 595, Epot=-1.065103e+03, Fnorm=8.950e+01, Fmax=4.868e+02 (atom 182)
Step 596, Epot=-1.065114e+03, Fnorm=7.815e+01, Fmax=3.463e+02 (atom 13)
Step 597, Epot=-1.065129e+03, Fnorm=9.626e+01, Fmax=4.879e+02 (atom 141)
Step 598, Epot=-1.065138e+03, Fnorm=8.935e+01, Fmax=4.546e+02 (atom 105)
Step 599, Epot=-1.065150e+03, Fnorm=7.919e+01, Fmax=4.882e+02 (atom 141)
Step 600, Epot=-1.065167e+03, Fnorm=7.357e+01, Fmax=3.418e+02 (atom 242)
Step 601, Epot=-1.065178e+03, Fnorm=8.607e+01, Fmax=4.940e+02 (atom 199)
Step 602, Epot=-1.065192e+03, Fnorm=7.836e+01, Fmax=4.585e+02 (atom 141)
Step 603, Epot=-1.065208e+03, Fnorm=8.771e+01, Fmax=3.921e+02 (atom 42)
Step 604, Epot=-1.065222e+03, Fnorm=1.096e+02, Fmax=8.152e+02 (atom 42)
Step 605, Epot=-1.065238e+03, Fnorm=1.010e+02, Fmax=6.983e+02 (atom 189)
Step 606, Epot=-1.065251e+03, Fnorm=9.205e+01, Fmax=4.229e+02 (atom 90)
Step 607, Epot=-1.065261e+03, Fnorm=8.828e+01, Fmax=4.520e+02 (atom 105)
Step 608, Epot=-1.065274e+03, Fnorm=9.256e+01, Fmax=5.408e+02 (atom 105)
Step 609, Epot=-1.065279e+03, Fnorm=8.909e+01, Fmax=4.541e+02 (atom 219)
Step 610, Epot=-1.065293e+03, Fnorm=8.258e+01, Fmax=4.303e+02 (atom 13)
Step 611, Epot=-1.065305e+03, Fnorm=8.435e+01, Fmax=5.407e+02 (atom 105)
Step 612, Epot=-1.065313e+03, Fnorm=8.404e+01, Fmax=5.405e+02 (atom 105)
Step 613, Epot=-1.065326e+03, Fnorm=9.504e+01, Fmax=4.499e+02 (atom 105)
Step 614, Epot=-1.065332e+03, Fnorm=9.743e+01, Fmax=5.186e+02 (atom 25)
Step 615, Epot=-1.065351e+03, Fnorm=9.285e+01, Fmax=4.487e+02 (atom 105)
Step 616, Epot=-1.065366e+03, Fnorm=8.078e+01, Fmax=4.213e+02 (atom 189)
Step 617, Epot=-1.065381e+03, Fnorm=8.081e+01, Fmax=4.608e+02 (atom 141)
Step 618, Epot=-1.065389e+03, Fnorm=1.116e+02, Fmax=7.027e+02 (atom 189)
Step 619, Epot=-1.065405e+03, Fnorm=1.021e+02, Fmax=7.011e+02 (atom 189)
Step 620, Epot=-1.065408e+03, Fnorm=8.719e+01, Fmax=4.154e+02 (atom 141)
Step 621, Epot=-1.065419e+03, Fnorm=8.617e+01, Fmax=5.398e+02 (atom 105)
Step 622, Epot=-1.065430e+03, Fnorm=1.080e+02, Fmax=6.910e+02 (atom 242)
Step 623, Epot=-1.065437e+03, Fnorm=7.942e+01, Fmax=3.245e+02 (atom 182)
Step 624, Epot=-1.065443e+03, Fnorm=8.621e+01, Fmax=4.466e+02 (atom 165)
Step 625, Epot=-1.065452e+03, Fnorm=7.728e+01, Fmax=4.461e+02 (atom 105)
Step 626, Epot=-1.065454e+03, Fnorm=1.048e+02, Fmax=7.009e+02 (atom 189)
Step 627, Epot=-1.065462e+03, Fnorm=7.743e+01, Fmax=3.057e+02 (atom 141)
Step 628, Epot=-1.065466e+03, Fnorm=8.291e+01, Fmax=5.600e+02 (atom 182)
Step 629, Epot=-1.065472e+03, Fnorm=9.118e+01, Fmax=5.596e+02 (atom 182)
Step 630, Epot=-1.065476e+03, Fnorm=9.361e+01, Fmax=5.062e+02 (atom 165)
Step 631, Epot=-1.065482e+03, Fnorm=9.214e+01, Fmax=5.404e+02 (atom 105)
Step 632, Epot=-1.065492e+03, Fnorm=7.682e+01, Fmax=3.347e+02 (atom 42)
Step 633, Epot=-1.065496e+03, Fnorm=1.128e+02, Fmax=6.841e+02 (atom 42)
Step 634, Epot=-1.065508e+03, Fnorm=9.606e+01, Fmax=6.821e+02 (atom 42)
Step 635, Epot=-1.065512e+03, Fnorm=1.118e+02, Fmax=8.050e+02 (atom 42)
Step 636, Epot=-1.065521e+03, Fnorm=7.403e+01, Fmax=3.432e+02 (atom 13)
Step 637, Epot=-1.065530e+03, Fnorm=8.628e+01, Fmax=6.391e+02 (atom 42)
Step 638, Epot=-1.065532e+03, Fnorm=9.716e+01, Fmax=5.438e+02 (atom 182)
Step 639, Epot=-1.065537e+03, Fnorm=7.931e+01, Fmax=4.088e+02 (atom 90)
Step 640, Epot=-1.065541e+03, Fnorm=8.946e+01, Fmax=4.423e+02 (atom 105)
Step 641, Epot=-1.065548e+03, Fnorm=8.676e+01, Fmax=4.422e+02 (atom 105)
Step 642, Epot=-1.065551e+03, Fnorm=8.274e+01, Fmax=4.361e+02 (atom 165)
Step 643, Epot=-1.065554e+03, Fnorm=1.027e+02, Fmax=6.175e+02 (atom 42)
Step 644, Epot=-1.065560e+03, Fnorm=6.808e+01, Fmax=3.271e+02 (atom 242)
Step 645, Epot=-1.065563e+03, Fnorm=8.055e+01, Fmax=4.416e+02 (atom 105)
Step 646, Epot=-1.065566e+03, Fnorm=7.143e+01, Fmax=2.839e+02 (atom 199)
Step 647, Epot=-1.065569e+03, Fnorm=9.075e+01, Fmax=6.877e+02 (atom 189)
Step 648, Epot=-1.065574e+03, Fnorm=9.960e+01, Fmax=5.450e+02 (atom 105)
Step 649, Epot=-1.065585e+03, Fnorm=9.928e+01, Fmax=5.452e+02 (atom 105)
Step 650, Epot=-1.065586e+03, Fnorm=9.732e+01, Fmax=4.672e+02 (atom 42)
Step 651, Epot=-1.065593e+03, Fnorm=9.314e+01, Fmax=5.796e+02 (atom 42)
Step 652, Epot=-1.065595e+03, Fnorm=9.451e+01, Fmax=6.799e+02 (atom 189)
Step 653, Epot=-1.065600e+03, Fnorm=8.269e+01, Fmax=5.453e+02 (atom 105)
Step 654, Epot=-1.065602e+03, Fnorm=8.692e+01, Fmax=4.416e+02 (atom 105)
Step 655, Epot=-1.065607e+03, Fnorm=8.711e+01, Fmax=4.418e+02 (atom 105)
Step 656, Epot=-1.065608e+03, Fnorm=7.773e+01, Fmax=3.739e+02 (atom 42)
Step 657, Epot=-1.065614e+03, Fnorm=8.457e+01, Fmax=5.449e+02 (atom 105)
Step 658, Epot=-1.065615e+03, Fnorm=1.081e+02, Fmax=5.802e+02 (atom 42)
Step 659, Epot=-1.065625e+03, Fnorm=8.753e+01, Fmax=5.135e+02 (atom 182)
Step 660, Epot=-1.065628e+03, Fnorm=7.848e+01, Fmax=3.444e+02 (atom 165)
Step 661, Epot=-1.065633e+03, Fnorm=9.057e+01, Fmax=5.050e+02 (atom 199)
Step 662, Epot=-1.065636e+03, Fnorm=9.501e+01, Fmax=4.316e+02 (atom 189)
Step 663, Epot=-1.065639e+03, Fnorm=8.006e+01, Fmax=3.244e+02 (atom 93)
Step 664, Epot=-1.065641e+03, Fnorm=7.807e+01, Fmax=3.701e+02 (atom 42)
Step 665, Epot=-1.065644e+03, Fnorm=8.316e+01, Fmax=4.674e+02 (atom 42)
Step 666, Epot=-1.065645e+03, Fnorm=1.006e+02, Fmax=6.777e+02 (atom 199)
Step 667, Epot=-1.065648e+03, Fnorm=9.291e+01, Fmax=5.533e+02 (atom 228)
Step 668, Epot=-1.065650e+03, Fnorm=9.200e+01, Fmax=4.429e+02 (atom 105)
Step 669, Epot=-1.065654e+03, Fnorm=9.726e+01, Fmax=5.448e+02 (atom 105)
Step 670, Epot=-1.065656e+03, Fnorm=8.624e+01, Fmax=5.447e+02 (atom 105)
Step 671, Epot=-1.065657e+03, Fnorm=8.938e+01, Fmax=5.810e+02 (atom 42)
Step 672, Epot=-1.065660e+03, Fnorm=8.930e+01, Fmax=6.805e+02 (atom 189)
Step 673, Epot=-1.065662e+03, Fnorm=8.382e+01, Fmax=4.501e+02 (atom 189)
Step 674, Epot=-1.065661e+03, Fnorm=7.976e+01, Fmax=4.500e+02 (atom 189)
Step 675, Epot=-1.065662e+03, Fnorm=7.897e+01, Fmax=4.375e+02 (atom 189)
Step 676, Epot=-1.065665e+03, Fnorm=9.063e+01, Fmax=4.340e+02 (atom 189)
Step 677, Epot=-1.065665e+03, Fnorm=8.112e+01, Fmax=4.436e+02 (atom 105)
Step 678, Epot=-1.065669e+03, Fnorm=8.908e+01, Fmax=4.695e+02 (atom 42)
Energy minimization has stopped, but the forces have not converged to the
requested precision Fmax < 1 (which may not be possible for your system). It
stopped because the algorithm tried to make a new step whose size was too
small, or there was no change in the energy since last step. Either way, we
regard the minimization as converged to within the available machine
precision, given your starting configuration and EM parameters.
Double precision normally gives you higher accuracy, but this is often not
needed for preparing to run molecular dynamics.
writing lowest energy coordinates.
Low-Memory BFGS Minimizer converged to machine precision in 678 steps,
but did not reach the requested Fmax < 1.
Potential Energy = -1.0656689e+03
Maximum force = 4.6947983e+02 on atom 42
Norm of force = 8.9081345e+01
GROMACS reminds you: "Studying expands knowledge. Knowledge is power. Power corrupts. Corruption is a crime. Crime doesn't pay." (Anonymous)
Добавим в ячейку молекулы формамида:
! gmx solvate -cp pep_em -p pep -cs fam_em.gro -o pep_s
:-) GROMACS - gmx solvate, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx solvate, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx solvate -cp pep_em -p pep -cs fam_em.gro -o pep_s
Reading solute configuration
Reading solvent configuration
Initialising inter-atomic distances...
WARNING: Masses and atomic (Van der Waals) radii will be guessed
based on residue and atom names, since they could not be
definitively assigned from the information in your input
files. These guessed numbers might deviate from the mass
and radius of the atom type. Please check the output
files if necessary.
NOTE: From version 5.0 gmx solvate uses the Van der Waals radii
from the source below. This means the results may be different
compared to previous GROMACS versions.
++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
A. Bondi
van der Waals Volumes and Radii
J. Phys. Chem. 68 (1964) pp. 441-451
-------- -------- --- Thank You --- -------- --------
Generating solvent configuration
Will generate new solvent configuration of 6x5x5 boxes
Solvent box contains 9120 atoms in 1520 residues
Removed 2826 solvent atoms due to solvent-solvent overlap
Removed 234 solvent atoms due to solute-solvent overlap
Sorting configuration
Found 1 molecule type:
FAM ( 6 atoms): 1010 residues
Generated solvent containing 6060 atoms in 1010 residues
Writing generated configuration to pep_s.gro
Output configuration contains 6303 atoms in 1025 residues
Volume : 99.8416 (nm^3)
Density : 805.191 (g/l)
Number of solvent molecules: 1010
Processing topology
Adding line for 1010 solvent molecules with resname (FAM) to topology file (pep.top)
Back Off! I just backed up pep.top to ./#pep.top.10#
GROMACS reminds you: "The most exciting phrase to hear in science, the one that heralds new discoveries, is not "Eureka" but "That's funny..."." (Isaac Asimov)
Как видно из вывода, всего было добавлено 1011 молекул. GROMACS сам записал их в файл, поэтому дополнительно редактировать его не нужно. Добавим только в файл топологии импорт fam.itp:
! sed -ie '/#include "amber99sb.ff\/forcefield.itp"/a #include "fam.itp"' pep.top
Нейтрализуем заряд системы. Это делаем в два шага: строим tpr и запускаем genion.
! gmx grompp -f em -p pep -c pep_s -o pep_s -maxwarn 2
:-) GROMACS - gmx grompp, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx grompp, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx grompp -f em -p pep -c pep_s -o pep_s -maxwarn 2
Ignoring obsolete mdp entry 'title'
Ignoring obsolete mdp entry 'cpp'
Ignoring obsolete mdp entry 'ns_type'
NOTE 1 [file em.mdp]:
With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
that with the Verlet scheme, nstlist has no effect on the accuracy of
your simulation.
WARNING 1 [file em.mdp]:
For efficient BFGS minimization, use switch/shift/pme instead of cut-off.
Setting the LD random seed to 926331971
Generated 2145 of the 2145 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 0.5
Generated 2145 of the 2145 1-4 parameter combinations
Excluding 3 bonded neighbours molecule type 'Protein_chain_A'
Excluding 3 bonded neighbours molecule type 'FAM'
WARNING 2 [file pep.top, line 2327]:
The following macros were defined in the 'define' mdp field with the -D
prefix, but were not used in the topology:
FLEX_SPC
If you haven't made a spelling error, either use the macro you defined,
or don't define the macro
NOTE 2 [file pep.top, line 2327]:
System has non-zero total charge: -1.000000
Total charge should normally be an integer. See
http://www.gromacs.org/Documentation/Floating_Point_Arithmetic
for discussion on how close it should be to an integer.
Analysing residue names:
There are: 15 Protein residues
There are: 1010 Other residues
Analysing Protein...
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Number of degrees of freedom in T-Coupling group rest is 18906.00
NOTE 3 [file em.mdp]:
You are using a plain Coulomb cut-off, which might produce artifacts.
You might want to consider using PME electrostatics.
This run will generate roughly 150 Mb of data
There were 3 notes
There were 2 warnings
GROMACS reminds you: "In a talk you have a choice: You can make one point or no points." (Paul Sigler)
Как видно из вывода, заряд системы -1. Нужен один положительный ион, чтобы нейтрализовать заряд системы. Указываем группу 13 (FAM), чтобы ион добавился в неё:
! echo 13 | gmx genion -s pep_s -o pep_si -p pep -np 1
:-) GROMACS - gmx genion, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx genion, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx genion -s pep_s -o pep_si -p pep -np 1
Reading file pep_s.tpr, VERSION 2020.1-Ubuntu-2020.1-1 (single precision)
Reading file pep_s.tpr, VERSION 2020.1-Ubuntu-2020.1-1 (single precision)
Will try to add 1 NA ions and 0 CL ions.
Select a continuous group of solvent molecules
Group 0 ( System) has 6303 elements
Group 1 ( Protein) has 243 elements
Group 2 ( Protein-H) has 127 elements
Group 3 ( C-alpha) has 15 elements
Group 4 ( Backbone) has 45 elements
Group 5 ( MainChain) has 61 elements
Group 6 ( MainChain+Cb) has 76 elements
Group 7 ( MainChain+H) has 78 elements
Group 8 ( SideChain) has 165 elements
Group 9 ( SideChain-H) has 66 elements
Group 10 ( Prot-Masses) has 243 elements
Group 11 ( non-Protein) has 6060 elements
Group 12 ( Other) has 6060 elements
Group 13 ( FAM) has 6060 elements
Select a group: Selected 13: 'FAM'
Number of (6-atomic) solvent molecules: 1010
Processing topology
Replacing 1 solute molecules in topology file (pep.top) by 1 NA and 0 CL ions.
Back Off! I just backed up pep.top to ./#pep.top.11#
Using random seed 326075419.
Replacing solvent molecule 11 (atom 309) with NA
GROMACS reminds you: "Therefore, things must be learned only to be unlearned again or, more likely, to be corrected." (Richard Feynman)
Чтобы решить проблемы при утряске воды, сразу выполним:
! gmx grompp -f em -p pep -c pep_si -o pep_empr -maxwarn 2
! gmx mdrun -deffnm pep_empr -v
:-) GROMACS - gmx grompp, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx grompp, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx grompp -f em -p pep -c pep_si -o pep_empr -maxwarn 2
Ignoring obsolete mdp entry 'title'
Ignoring obsolete mdp entry 'cpp'
Ignoring obsolete mdp entry 'ns_type'
NOTE 1 [file em.mdp]:
With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
that with the Verlet scheme, nstlist has no effect on the accuracy of
your simulation.
WARNING 1 [file em.mdp]:
For efficient BFGS minimization, use switch/shift/pme instead of cut-off.
Setting the LD random seed to 1739613196
Generated 2145 of the 2145 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 0.5
Generated 2145 of the 2145 1-4 parameter combinations
Excluding 3 bonded neighbours molecule type 'Protein_chain_A'
Excluding 3 bonded neighbours molecule type 'FAM'
Excluding 1 bonded neighbours molecule type 'NA'
WARNING 2 [file pep.top, line 2328]:
The following macros were defined in the 'define' mdp field with the -D
prefix, but were not used in the topology:
FLEX_SPC
If you haven't made a spelling error, either use the macro you defined,
or don't define the macro
Analysing residue names:
There are: 15 Protein residues
There are: 1009 Other residues
There are: 1 Ion residues
Analysing Protein...
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Number of degrees of freedom in T-Coupling group rest is 18891.00
NOTE 2 [file em.mdp]:
You are using a plain Coulomb cut-off, which might produce artifacts.
You might want to consider using PME electrostatics.
This run will generate roughly 150 Mb of data
There were 2 notes
There were 2 warnings
GROMACS reminds you: "Religion is a culture of faith; science is a culture of doubt." (Richard Feynman)
:-) GROMACS - gmx mdrun, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx mdrun, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx mdrun -deffnm pep_empr -v
Compiled SIMD: SSE2, but for this host/run AVX_512 might be better (see log).
The current CPU can measure timings more accurately than the code in
gmx mdrun was configured to use. This might affect your simulation
speed as accurate timings are needed for load-balancing.
Please consider rebuilding gmx mdrun with the GMX_USE_RDTSCP=ON CMake option.
Reading file pep_empr.tpr, VERSION 2020.1-Ubuntu-2020.1-1 (single precision)
L-BFGS minimization only supports a single rank. Choosing to use only a single thread-MPI rank.
Using 1 MPI thread
Non-default thread affinity set, disabling internal thread affinity
Using 64 OpenMP threads
Low-Memory BFGS Minimizer:
Tolerance (Fmax) = 1.00000e+00
Number of steps = 1000000
Using 10 BFGS correction steps.
F-max = 6.68178e+04 on atom 6244
F-Norm = 3.29668e+03
Step 0, Epot=-5.624362e+04, Fnorm=1.725e+03, Fmax=7.445e+03 (atom 2106)
Step 1, Epot=-6.825911e+04, Fnorm=1.398e+03, Fmax=6.034e+03 (atom 305)
Step 2, Epot=-7.339881e+04, Fnorm=1.312e+03, Fmax=6.410e+03 (atom 1091)
Step 3, Epot=-8.239352e+04, Fnorm=1.183e+03, Fmax=6.884e+03 (atom 305)
Step 4, Epot=-9.073056e+04, Fnorm=1.084e+03, Fmax=7.106e+03 (atom 305)
Step 5, Epot=-1.008706e+05, Fnorm=9.747e+02, Fmax=7.290e+03 (atom 305)
Step 6, Epot=-1.112055e+05, Fnorm=8.792e+02, Fmax=7.309e+03 (atom 305)
Step 7, Epot=-1.193982e+05, Fnorm=7.843e+02, Fmax=7.143e+03 (atom 305)
Step 8, Epot=-1.276971e+05, Fnorm=7.228e+02, Fmax=6.886e+03 (atom 6244)
Step 9, Epot=-1.350641e+05, Fnorm=6.500e+02, Fmax=6.524e+03 (atom 1337)
Step 10, Epot=-1.422118e+05, Fnorm=6.027e+02, Fmax=6.096e+03 (atom 1337)
Step 11, Epot=-1.472980e+05, Fnorm=5.363e+02, Fmax=5.876e+03 (atom 1337)
Step 12, Epot=-1.507216e+05, Fnorm=5.096e+02, Fmax=5.519e+03 (atom 563)
Step 13, Epot=-1.542097e+05, Fnorm=4.877e+02, Fmax=4.911e+03 (atom 563)
Step 14, Epot=-1.581720e+05, Fnorm=4.521e+02, Fmax=4.704e+03 (atom 305)
Step 15, Epot=-1.606993e+05, Fnorm=4.297e+02, Fmax=4.126e+03 (atom 563)
Step 16, Epot=-1.625675e+05, Fnorm=4.083e+02, Fmax=3.766e+03 (atom 827)
Step 17, Epot=-1.647490e+05, Fnorm=4.000e+02, Fmax=3.161e+03 (atom 305)
Step 18, Epot=-1.668358e+05, Fnorm=3.870e+02, Fmax=2.555e+03 (atom 1091)
Step 19, Epot=-1.685280e+05, Fnorm=3.817e+02, Fmax=2.023e+03 (atom 563)
Step 20, Epot=-1.702926e+05, Fnorm=3.657e+02, Fmax=1.406e+03 (atom 827)
Step 21, Epot=-1.717044e+05, Fnorm=3.645e+02, Fmax=1.107e+03 (atom 1294)
Step 22, Epot=-1.732232e+05, Fnorm=3.546e+02, Fmax=1.746e+03 (atom 304)
Step 23, Epot=-1.748082e+05, Fnorm=3.608e+02, Fmax=1.705e+03 (atom 304)
Step 24, Epot=-1.762145e+05, Fnorm=3.713e+02, Fmax=1.711e+03 (atom 304)
Step 25, Epot=-1.777095e+05, Fnorm=3.779e+02, Fmax=1.859e+03 (atom 1091)
Step 26, Epot=-1.785614e+05, Fnorm=3.862e+02, Fmax=2.025e+03 (atom 1337)
Step 27, Epot=-1.794885e+05, Fnorm=3.726e+02, Fmax=2.495e+03 (atom 1337)
Step 28, Epot=-1.805872e+05, Fnorm=3.887e+02, Fmax=2.565e+03 (atom 1337)
Step 29, Epot=-1.815574e+05, Fnorm=3.874e+02, Fmax=2.535e+03 (atom 1337)
Step 30, Epot=-1.847422e+05, Fnorm=6.081e+02, Fmax=3.222e+03 (atom 4648)
Step 31, Epot=-1.857303e+05, Fnorm=1.002e+03, Fmax=6.438e+03 (atom 1990)
Step 32, Epot=-1.886707e+05, Fnorm=5.168e+02, Fmax=2.988e+03 (atom 1990)
Step 33, Epot=-1.914202e+05, Fnorm=4.215e+02, Fmax=1.625e+03 (atom 2404)
Step 34, Epot=-1.942679e+05, Fnorm=5.689e+02, Fmax=3.268e+03 (atom 1990)
Step 35, Epot=-1.967438e+05, Fnorm=7.234e+02, Fmax=4.092e+03 (atom 1336)
Step 36, Epot=-1.992161e+05, Fnorm=5.117e+02, Fmax=2.755e+03 (atom 4996)
Step 37, Epot=-2.008719e+05, Fnorm=4.296e+02, Fmax=2.017e+03 (atom 6052)
Step 38, Epot=-2.022601e+05, Fnorm=5.260e+02, Fmax=3.391e+03 (atom 4414)
Step 39, Epot=-2.036737e+05, Fnorm=4.163e+02, Fmax=2.051e+03 (atom 305)
Step 40, Epot=-2.049680e+05, Fnorm=4.134e+02, Fmax=2.238e+03 (atom 1654)
Step 41, Epot=-2.061724e+05, Fnorm=4.425e+02, Fmax=2.180e+03 (atom 6274)
Step 42, Epot=-2.071519e+05, Fnorm=4.119e+02, Fmax=1.846e+03 (atom 2146)
Step 43, Epot=-2.080662e+05, Fnorm=3.630e+02, Fmax=2.039e+03 (atom 4156)
Step 44, Epot=-2.086690e+05, Fnorm=3.551e+02, Fmax=2.045e+03 (atom 5944)
Step 45, Epot=-2.094077e+05, Fnorm=3.726e+02, Fmax=2.509e+03 (atom 4414)
Step 46, Epot=-2.101431e+05, Fnorm=3.699e+02, Fmax=2.125e+03 (atom 1642)
Step 47, Epot=-2.107556e+05, Fnorm=3.447e+02, Fmax=1.760e+03 (atom 5746)
Step 48, Epot=-2.112899e+05, Fnorm=3.711e+02, Fmax=1.928e+03 (atom 4498)
Step 49, Epot=-2.118018e+05, Fnorm=3.734e+02, Fmax=2.611e+03 (atom 4096)
Step 50, Epot=-2.122983e+05, Fnorm=3.579e+02, Fmax=2.154e+03 (atom 1846)
Step 51, Epot=-2.127341e+05, Fnorm=3.310e+02, Fmax=1.939e+03 (atom 3832)
Step 52, Epot=-2.130496e+05, Fnorm=3.401e+02, Fmax=2.603e+03 (atom 2974)
Step 53, Epot=-2.133981e+05, Fnorm=3.331e+02, Fmax=1.862e+03 (atom 5818)
Step 54, Epot=-2.137317e+05, Fnorm=3.587e+02, Fmax=2.235e+03 (atom 5884)
Step 55, Epot=-2.140526e+05, Fnorm=3.456e+02, Fmax=2.031e+03 (atom 2974)
Step 56, Epot=-2.143819e+05, Fnorm=3.403e+02, Fmax=2.547e+03 (atom 2704)
Step 57, Epot=-2.146647e+05, Fnorm=3.319e+02, Fmax=1.733e+03 (atom 4096)
Step 58, Epot=-2.149422e+05, Fnorm=3.237e+02, Fmax=2.149e+03 (atom 5620)
Step 59, Epot=-2.152152e+05, Fnorm=3.290e+02, Fmax=1.967e+03 (atom 2776)
Step 60, Epot=-2.154673e+05, Fnorm=3.335e+02, Fmax=2.092e+03 (atom 1774)
Step 61, Epot=-2.157222e+05, Fnorm=3.278e+02, Fmax=2.378e+03 (atom 5356)
Step 62, Epot=-2.159336e+05, Fnorm=3.250e+02, Fmax=2.549e+03 (atom 4564)
Step 63, Epot=-2.161256e+05, Fnorm=3.206e+02, Fmax=2.085e+03 (atom 4330)
Step 64, Epot=-2.163167e+05, Fnorm=3.221e+02, Fmax=2.787e+03 (atom 3376)
Step 65, Epot=-2.164939e+05, Fnorm=3.191e+02, Fmax=1.899e+03 (atom 5914)
Step 66, Epot=-2.166684e+05, Fnorm=3.234e+02, Fmax=1.994e+03 (atom 5482)
Step 67, Epot=-2.168704e+05, Fnorm=3.268e+02, Fmax=2.297e+03 (atom 5218)
Step 68, Epot=-2.170429e+05, Fnorm=3.293e+02, Fmax=1.967e+03 (atom 4564)
Step 69, Epot=-2.172048e+05, Fnorm=3.265e+02, Fmax=2.444e+03 (atom 4330)
Step 70, Epot=-2.173652e+05, Fnorm=3.197e+02, Fmax=2.468e+03 (atom 6010)
Step 71, Epot=-2.175265e+05, Fnorm=3.233e+02, Fmax=1.863e+03 (atom 2974)
Step 72, Epot=-2.176558e+05, Fnorm=3.259e+02, Fmax=2.004e+03 (atom 4030)
Step 73, Epot=-2.178109e+05, Fnorm=3.195e+02, Fmax=1.820e+03 (atom 2902)
Step 74, Epot=-2.179608e+05, Fnorm=3.139e+02, Fmax=2.228e+03 (atom 1510)
Step 75, Epot=-2.181165e+05, Fnorm=3.182e+02, Fmax=1.971e+03 (atom 3370)
Step 76, Epot=-2.182687e+05, Fnorm=3.328e+02, Fmax=2.357e+03 (atom 1972)
Step 77, Epot=-2.184271e+05, Fnorm=3.267e+02, Fmax=1.998e+03 (atom 3574)
Step 78, Epot=-2.185883e+05, Fnorm=3.324e+02, Fmax=2.646e+03 (atom 2446)
Step 79, Epot=-2.187538e+05, Fnorm=3.244e+02, Fmax=2.140e+03 (atom 2716)
Step 80, Epot=-2.189178e+05, Fnorm=3.323e+02, Fmax=2.536e+03 (atom 4030)
Step 81, Epot=-2.190936e+05, Fnorm=3.259e+02, Fmax=1.801e+03 (atom 3808)
Step 82, Epot=-2.192626e+05, Fnorm=3.322e+02, Fmax=1.749e+03 (atom 2038)
Step 83, Epot=-2.194435e+05, Fnorm=3.271e+02, Fmax=1.936e+03 (atom 1774)
Step 84, Epot=-2.196295e+05, Fnorm=3.346e+02, Fmax=1.777e+03 (atom 2764)
Step 85, Epot=-2.198008e+05, Fnorm=3.388e+02, Fmax=2.292e+03 (atom 2698)
Step 86, Epot=-2.199863e+05, Fnorm=3.304e+02, Fmax=2.234e+03 (atom 5020)
Step 87, Epot=-2.201616e+05, Fnorm=3.473e+02, Fmax=1.988e+03 (atom 5818)
Step 88, Epot=-2.203425e+05, Fnorm=3.404e+02, Fmax=1.710e+03 (atom 4840)
Step 89, Epot=-2.205340e+05, Fnorm=3.354e+02, Fmax=2.041e+03 (atom 2968)
Step 90, Epot=-2.207051e+05, Fnorm=3.464e+02, Fmax=2.360e+03 (atom 4564)
Step 91, Epot=-2.208871e+05, Fnorm=3.368e+02, Fmax=2.043e+03 (atom 4030)
Step 92, Epot=-2.210710e+05, Fnorm=3.414e+02, Fmax=1.953e+03 (atom 2572)
Step 93, Epot=-2.212418e+05, Fnorm=3.354e+02, Fmax=2.267e+03 (atom 6010)
Step 94, Epot=-2.214116e+05, Fnorm=3.278e+02, Fmax=2.081e+03 (atom 1774)
Step 95, Epot=-2.215942e+05, Fnorm=3.370e+02, Fmax=2.026e+03 (atom 2968)
Step 96, Epot=-2.217558e+05, Fnorm=3.378e+02, Fmax=2.409e+03 (atom 2260)
Step 97, Epot=-2.219082e+05, Fnorm=3.270e+02, Fmax=1.831e+03 (atom 5482)
Step 98, Epot=-2.220515e+05, Fnorm=3.208e+02, Fmax=1.657e+03 (atom 3796)
Step 99, Epot=-2.221839e+05, Fnorm=3.205e+02, Fmax=1.763e+03 (atom 1504)
Step 100, Epot=-2.223248e+05, Fnorm=3.233e+02, Fmax=1.995e+03 (atom 5416)
Step 101, Epot=-2.224621e+05, Fnorm=3.213e+02, Fmax=1.734e+03 (atom 3808)
Step 102, Epot=-2.225947e+05, Fnorm=3.163e+02, Fmax=2.119e+03 (atom 3196)
Step 103, Epot=-2.227218e+05, Fnorm=3.192e+02, Fmax=2.561e+03 (atom 4330)
Step 104, Epot=-2.228426e+05, Fnorm=3.102e+02, Fmax=1.846e+03 (atom 4156)
Step 105, Epot=-2.229587e+05, Fnorm=3.101e+02, Fmax=2.323e+03 (atom 3898)
Step 106, Epot=-2.230733e+05, Fnorm=3.105e+02, Fmax=1.698e+03 (atom 2188)
Step 107, Epot=-2.231858e+05, Fnorm=3.155e+02, Fmax=2.174e+03 (atom 2038)
Step 108, Epot=-2.232933e+05, Fnorm=3.155e+02, Fmax=1.992e+03 (atom 5476)
Step 109, Epot=-2.233945e+05, Fnorm=3.147e+02, Fmax=1.991e+03 (atom 4330)
Step 110, Epot=-2.234921e+05, Fnorm=3.137e+02, Fmax=1.888e+03 (atom 5086)
Step 111, Epot=-2.235928e+05, Fnorm=3.036e+02, Fmax=2.023e+03 (atom 4330)
Step 112, Epot=-2.236884e+05, Fnorm=3.073e+02, Fmax=1.729e+03 (atom 5362)
Step 113, Epot=-2.237810e+05, Fnorm=3.144e+02, Fmax=2.061e+03 (atom 2038)
Step 114, Epot=-2.238748e+05, Fnorm=3.016e+02, Fmax=2.089e+03 (atom 2260)
Step 115, Epot=-2.239681e+05, Fnorm=3.032e+02, Fmax=1.926e+03 (atom 2188)
Step 116, Epot=-2.240558e+05, Fnorm=3.069e+02, Fmax=1.774e+03 (atom 5020)
Step 117, Epot=-2.241435e+05, Fnorm=3.115e+02, Fmax=1.987e+03 (atom 2266)
Step 118, Epot=-2.242310e+05, Fnorm=3.104e+02, Fmax=2.135e+03 (atom 4096)
Step 119, Epot=-2.243136e+05, Fnorm=3.092e+02, Fmax=2.371e+03 (atom 2704)
Step 120, Epot=-2.243929e+05, Fnorm=3.032e+02, Fmax=1.886e+03 (atom 2878)
Step 121, Epot=-2.244726e+05, Fnorm=2.976e+02, Fmax=1.701e+03 (atom 6010)
Step 122, Epot=-2.245492e+05, Fnorm=3.042e+02, Fmax=1.950e+03 (atom 5818)
Step 123, Epot=-2.246230e+05, Fnorm=3.068e+02, Fmax=1.897e+03 (atom 3898)
Step 124, Epot=-2.246982e+05, Fnorm=3.051e+02, Fmax=1.795e+03 (atom 3568)
Step 125, Epot=-2.247693e+05, Fnorm=3.030e+02, Fmax=2.190e+03 (atom 4096)
Step 126, Epot=-2.248347e+05, Fnorm=2.947e+02, Fmax=2.119e+03 (atom 4096)
Step 127, Epot=-2.249004e+05, Fnorm=2.958e+02, Fmax=1.624e+03 (atom 2680)
Step 128, Epot=-2.249669e+05, Fnorm=2.887e+02, Fmax=2.050e+03 (atom 3196)
Step 129, Epot=-2.250289e+05, Fnorm=2.959e+02, Fmax=2.051e+03 (atom 3376)
Step 130, Epot=-2.250915e+05, Fnorm=2.922e+02, Fmax=1.967e+03 (atom 6010)
Step 131, Epot=-2.251492e+05, Fnorm=2.898e+02, Fmax=1.572e+03 (atom 6172)
Step 132, Epot=-2.252058e+05, Fnorm=2.873e+02, Fmax=1.637e+03 (atom 1486)
Step 133, Epot=-2.252639e+05, Fnorm=2.908e+02, Fmax=2.284e+03 (atom 2704)
Step 134, Epot=-2.253189e+05, Fnorm=2.881e+02, Fmax=1.990e+03 (atom 5416)
Step 135, Epot=-2.253760e+05, Fnorm=2.858e+02, Fmax=1.847e+03 (atom 2440)
Step 136, Epot=-2.254352e+05, Fnorm=2.896e+02, Fmax=1.773e+03 (atom 1684)
Step 137, Epot=-2.254871e+05, Fnorm=2.950e+02, Fmax=1.963e+03 (atom 6004)
Step 138, Epot=-2.255398e+05, Fnorm=2.919e+02, Fmax=1.693e+03 (atom 5086)
Step 139, Epot=-2.255912e+05, Fnorm=2.961e+02, Fmax=1.560e+03 (atom 4090)
Step 140, Epot=-2.256454e+05, Fnorm=2.974e+02, Fmax=1.795e+03 (atom 2038)
Step 141, Epot=-2.256991e+05, Fnorm=2.888e+02, Fmax=2.093e+03 (atom 2194)
Step 142, Epot=-2.257515e+05, Fnorm=2.829e+02, Fmax=1.683e+03 (atom 5026)
Step 143, Epot=-2.258013e+05, Fnorm=2.838e+02, Fmax=1.625e+03 (atom 4498)
Step 144, Epot=-2.258543e+05, Fnorm=2.869e+02, Fmax=1.583e+03 (atom 2044)
Step 145, Epot=-2.259051e+05, Fnorm=2.964e+02, Fmax=1.669e+03 (atom 1774)
Step 146, Epot=-2.259575e+05, Fnorm=2.917e+02, Fmax=1.786e+03 (atom 2440)
Step 147, Epot=-2.260094e+05, Fnorm=2.906e+02, Fmax=2.140e+03 (atom 1510)
Step 148, Epot=-2.260583e+05, Fnorm=2.970e+02, Fmax=2.096e+03 (atom 2968)
Step 149, Epot=-2.261077e+05, Fnorm=2.932e+02, Fmax=2.216e+03 (atom 4330)
Step 150, Epot=-2.261578e+05, Fnorm=2.895e+02, Fmax=1.705e+03 (atom 6010)
Step 151, Epot=-2.262066e+05, Fnorm=2.886e+02, Fmax=1.941e+03 (atom 4156)
Step 152, Epot=-2.262533e+05, Fnorm=2.850e+02, Fmax=1.563e+03 (atom 3808)
Step 153, Epot=-2.263012e+05, Fnorm=2.849e+02, Fmax=1.959e+03 (atom 2782)
Step 154, Epot=-2.263476e+05, Fnorm=2.929e+02, Fmax=1.693e+03 (atom 3574)
Step 155, Epot=-2.263928e+05, Fnorm=2.936e+02, Fmax=1.858e+03 (atom 2038)
Step 156, Epot=-2.264402e+05, Fnorm=2.888e+02, Fmax=1.581e+03 (atom 5428)
Step 157, Epot=-2.264841e+05, Fnorm=2.956e+02, Fmax=2.311e+03 (atom 3376)
Step 158, Epot=-2.265303e+05, Fnorm=2.827e+02, Fmax=1.945e+03 (atom 4156)
Step 159, Epot=-2.265784e+05, Fnorm=2.801e+02, Fmax=1.986e+03 (atom 2266)
Step 160, Epot=-2.266211e+05, Fnorm=2.872e+02, Fmax=1.836e+03 (atom 2746)
Step 161, Epot=-2.266659e+05, Fnorm=2.913e+02, Fmax=1.703e+03 (atom 3574)
Step 162, Epot=-2.267158e+05, Fnorm=2.961e+02, Fmax=2.252e+03 (atom 3832)
Step 163, Epot=-2.267604e+05, Fnorm=2.963e+02, Fmax=1.572e+03 (atom 5482)
Step 164, Epot=-2.268051e+05, Fnorm=2.907e+02, Fmax=1.954e+03 (atom 5416)
Step 165, Epot=-2.268505e+05, Fnorm=2.848e+02, Fmax=1.535e+03 (atom 2902)
Step 166, Epot=-2.268937e+05, Fnorm=2.859e+02, Fmax=1.527e+03 (atom 4090)
Step 167, Epot=-2.269371e+05, Fnorm=2.820e+02, Fmax=1.541e+03 (atom 6172)
Step 168, Epot=-2.269813e+05, Fnorm=2.903e+02, Fmax=1.596e+03 (atom 1552)
Step 169, Epot=-2.270262e+05, Fnorm=2.894e+02, Fmax=2.037e+03 (atom 2038)
Step 170, Epot=-2.270689e+05, Fnorm=2.901e+02, Fmax=1.951e+03 (atom 2038)
Step 171, Epot=-2.271108e+05, Fnorm=2.848e+02, Fmax=1.661e+03 (atom 3826)
Step 172, Epot=-2.271498e+05, Fnorm=2.914e+02, Fmax=2.243e+03 (atom 3376)
Step 173, Epot=-2.271900e+05, Fnorm=2.819e+02, Fmax=1.737e+03 (atom 4030)
Step 174, Epot=-2.272313e+05, Fnorm=2.813e+02, Fmax=2.019e+03 (atom 2260)
Step 175, Epot=-2.272704e+05, Fnorm=2.933e+02, Fmax=1.965e+03 (atom 2260)
Step 176, Epot=-2.273101e+05, Fnorm=2.914e+02, Fmax=2.082e+03 (atom 4330)
Step 177, Epot=-2.273522e+05, Fnorm=2.841e+02, Fmax=2.027e+03 (atom 4096)
Step 178, Epot=-2.273898e+05, Fnorm=2.936e+02, Fmax=2.025e+03 (atom 3376)
Step 179, Epot=-2.274291e+05, Fnorm=2.847e+02, Fmax=1.697e+03 (atom 2680)
Step 180, Epot=-2.274710e+05, Fnorm=2.816e+02, Fmax=2.032e+03 (atom 4564)
Step 181, Epot=-2.275095e+05, Fnorm=2.861e+02, Fmax=1.647e+03 (atom 4006)
Step 182, Epot=-2.275498e+05, Fnorm=2.876e+02, Fmax=1.622e+03 (atom 5362)
Step 183, Epot=-2.275886e+05, Fnorm=2.908e+02, Fmax=2.209e+03 (atom 4330)
Step 184, Epot=-2.276265e+05, Fnorm=2.852e+02, Fmax=1.706e+03 (atom 3838)
Step 185, Epot=-2.276645e+05, Fnorm=2.814e+02, Fmax=1.953e+03 (atom 2038)
Step 186, Epot=-2.277000e+05, Fnorm=2.819e+02, Fmax=1.743e+03 (atom 5482)
Step 187, Epot=-2.277342e+05, Fnorm=2.831e+02, Fmax=1.801e+03 (atom 4156)
Step 188, Epot=-2.277686e+05, Fnorm=2.900e+02, Fmax=2.442e+03 (atom 3832)
Step 189, Epot=-2.278013e+05, Fnorm=2.866e+02, Fmax=1.587e+03 (atom 1012)
Step 190, Epot=-2.278330e+05, Fnorm=2.805e+02, Fmax=1.827e+03 (atom 5410)
Step 191, Epot=-2.278662e+05, Fnorm=2.842e+02, Fmax=1.554e+03 (atom 652)
Step 192, Epot=-2.278985e+05, Fnorm=2.867e+02, Fmax=2.246e+03 (atom 3376)
Step 193, Epot=-2.279329e+05, Fnorm=2.843e+02, Fmax=1.590e+03 (atom 1486)
Step 194, Epot=-2.279656e+05, Fnorm=2.817e+02, Fmax=1.662e+03 (atom 370)
Step 195, Epot=-2.279998e+05, Fnorm=2.885e+02, Fmax=1.843e+03 (atom 1618)
Step 196, Epot=-2.280318e+05, Fnorm=2.885e+02, Fmax=1.720e+03 (atom 3028)
Step 197, Epot=-2.280635e+05, Fnorm=2.801e+02, Fmax=1.587e+03 (atom 652)
Step 198, Epot=-2.280962e+05, Fnorm=2.795e+02, Fmax=1.688e+03 (atom 3910)
Step 199, Epot=-2.281271e+05, Fnorm=2.817e+02, Fmax=1.756e+03 (atom 1114)
Step 200, Epot=-2.281560e+05, Fnorm=2.845e+02, Fmax=1.710e+03 (atom 1588)
Step 201, Epot=-2.281857e+05, Fnorm=2.806e+02, Fmax=1.633e+03 (atom 5086)
Step 202, Epot=-2.282148e+05, Fnorm=2.780e+02, Fmax=1.663e+03 (atom 2128)
Step 203, Epot=-2.282423e+05, Fnorm=2.829e+02, Fmax=1.597e+03 (atom 538)
Step 204, Epot=-2.282709e+05, Fnorm=2.790e+02, Fmax=1.799e+03 (atom 2812)
Step 205, Epot=-2.282978e+05, Fnorm=2.931e+02, Fmax=1.672e+03 (atom 1774)
Step 206, Epot=-2.283249e+05, Fnorm=2.884e+02, Fmax=1.595e+03 (atom 2770)
Step 207, Epot=-2.283532e+05, Fnorm=2.784e+02, Fmax=1.794e+03 (atom 4456)
Step 208, Epot=-2.283788e+05, Fnorm=2.792e+02, Fmax=1.841e+03 (atom 5416)
Step 209, Epot=-2.284036e+05, Fnorm=2.765e+02, Fmax=1.543e+03 (atom 4498)
Step 210, Epot=-2.284304e+05, Fnorm=2.774e+02, Fmax=1.874e+03 (atom 2812)
Step 211, Epot=-2.284562e+05, Fnorm=2.853e+02, Fmax=1.874e+03 (atom 6004)
Step 212, Epot=-2.284816e+05, Fnorm=2.801e+02, Fmax=1.861e+03 (atom 6004)
Step 213, Epot=-2.285079e+05, Fnorm=2.768e+02, Fmax=1.783e+03 (atom 4156)
Step 214, Epot=-2.285342e+05, Fnorm=2.781e+02, Fmax=1.510e+03 (atom 1708)
Step 215, Epot=-2.285580e+05, Fnorm=2.799e+02, Fmax=1.948e+03 (atom 5416)
Step 216, Epot=-2.285832e+05, Fnorm=2.765e+02, Fmax=1.491e+03 (atom 2902)
Step 217, Epot=-2.286086e+05, Fnorm=2.805e+02, Fmax=1.568e+03 (atom 4570)
Step 218, Epot=-2.286324e+05, Fnorm=2.775e+02, Fmax=2.274e+03 (atom 4564)
Step 219, Epot=-2.286574e+05, Fnorm=2.781e+02, Fmax=1.702e+03 (atom 3808)
Step 220, Epot=-2.286828e+05, Fnorm=2.808e+02, Fmax=1.766e+03 (atom 1114)
Step 221, Epot=-2.287069e+05, Fnorm=2.869e+02, Fmax=1.809e+03 (atom 1462)
Step 222, Epot=-2.287335e+05, Fnorm=2.818e+02, Fmax=1.725e+03 (atom 3910)
Step 223, Epot=-2.287598e+05, Fnorm=2.748e+02, Fmax=1.611e+03 (atom 5938)
Step 224, Epot=-2.287842e+05, Fnorm=2.756e+02, Fmax=1.743e+03 (atom 3808)
Step 225, Epot=-2.288103e+05, Fnorm=2.755e+02, Fmax=2.092e+03 (atom 2260)
Step 226, Epot=-2.288360e+05, Fnorm=2.845e+02, Fmax=2.087e+03 (atom 2038)
Step 227, Epot=-2.288602e+05, Fnorm=2.839e+02, Fmax=2.045e+03 (atom 5284)
Step 228, Epot=-2.288875e+05, Fnorm=2.798e+02, Fmax=1.927e+03 (atom 3940)
Step 229, Epot=-2.289120e+05, Fnorm=2.797e+02, Fmax=1.797e+03 (atom 1114)
Step 230, Epot=-2.289368e+05, Fnorm=2.738e+02, Fmax=1.634e+03 (atom 3574)
Step 231, Epot=-2.289611e+05, Fnorm=2.753e+02, Fmax=2.115e+03 (atom 3376)
Step 232, Epot=-2.289843e+05, Fnorm=2.834e+02, Fmax=1.441e+03 (atom 6010)
Step 233, Epot=-2.290101e+05, Fnorm=2.782e+02, Fmax=1.720e+03 (atom 4156)
Step 234, Epot=-2.290351e+05, Fnorm=2.780e+02, Fmax=2.086e+03 (atom 2968)
Step 235, Epot=-2.290597e+05, Fnorm=2.863e+02, Fmax=1.760e+03 (atom 586)
Step 236, Epot=-2.290839e+05, Fnorm=2.817e+02, Fmax=1.934e+03 (atom 1972)
Step 237, Epot=-2.291051e+05, Fnorm=2.802e+02, Fmax=1.852e+03 (atom 1114)
Step 238, Epot=-2.291276e+05, Fnorm=2.739e+02, Fmax=1.731e+03 (atom 1180)
Step 239, Epot=-2.291506e+05, Fnorm=2.772e+02, Fmax=1.584e+03 (atom 2770)
Step 240, Epot=-2.291706e+05, Fnorm=2.890e+02, Fmax=1.486e+03 (atom 5878)
Step 241, Epot=-2.291817e+05, Fnorm=2.833e+02, Fmax=1.787e+03 (atom 2746)
Step 242, Epot=-2.292038e+05, Fnorm=2.761e+02, Fmax=1.516e+03 (atom 3826)
Step 243, Epot=-2.292242e+05, Fnorm=2.789e+02, Fmax=1.511e+03 (atom 5584)
Step 244, Epot=-2.292438e+05, Fnorm=2.812e+02, Fmax=1.596e+03 (atom 5362)
Step 245, Epot=-2.292654e+05, Fnorm=2.789e+02, Fmax=1.782e+03 (atom 4156)
Step 246, Epot=-2.292862e+05, Fnorm=2.789e+02, Fmax=2.022e+03 (atom 2260)
Step 247, Epot=-2.293049e+05, Fnorm=2.843e+02, Fmax=1.881e+03 (atom 4492)
Step 248, Epot=-2.293249e+05, Fnorm=2.811e+02, Fmax=1.628e+03 (atom 4492)
Step 249, Epot=-2.293440e+05, Fnorm=2.808e+02, Fmax=1.536e+03 (atom 436)
Step 250, Epot=-2.293629e+05, Fnorm=2.738e+02, Fmax=1.497e+03 (atom 5410)
Step 251, Epot=-2.293836e+05, Fnorm=2.759e+02, Fmax=1.762e+03 (atom 5812)
Step 252, Epot=-2.294044e+05, Fnorm=2.884e+02, Fmax=1.834e+03 (atom 1114)
Step 253, Epot=-2.294238e+05, Fnorm=2.841e+02, Fmax=1.762e+03 (atom 4708)
Step 254, Epot=-2.294436e+05, Fnorm=2.790e+02, Fmax=1.447e+03 (atom 1972)
Step 255, Epot=-2.294646e+05, Fnorm=2.766e+02, Fmax=1.411e+03 (atom 5410)
Step 256, Epot=-2.294862e+05, Fnorm=2.800e+02, Fmax=1.560e+03 (atom 2320)
Step 257, Epot=-2.295082e+05, Fnorm=2.829e+02, Fmax=1.523e+03 (atom 4570)
Step 258, Epot=-2.295296e+05, Fnorm=2.786e+02, Fmax=1.672e+03 (atom 1246)
Step 259, Epot=-2.295510e+05, Fnorm=2.793e+02, Fmax=1.964e+03 (atom 3376)
Step 260, Epot=-2.295938e+05, Fnorm=2.731e+02, Fmax=1.442e+03 (atom 1840)
Step 261, Epot=-2.296150e+05, Fnorm=2.835e+02, Fmax=1.924e+03 (atom 4330)
Step 262, Epot=-2.296130e+05, Fnorm=2.874e+02, Fmax=1.919e+03 (atom 4330)
Step 263, Epot=-2.296348e+05, Fnorm=2.890e+02, Fmax=1.867e+03 (atom 2194)
Step 264, Epot=-2.296573e+05, Fnorm=2.839e+02, Fmax=1.746e+03 (atom 2830)
Step 265, Epot=-2.296787e+05, Fnorm=2.795e+02, Fmax=1.588e+03 (atom 652)
Step 266, Epot=-2.297021e+05, Fnorm=2.769e+02, Fmax=1.506e+03 (atom 3190)
Step 267, Epot=-2.297253e+05, Fnorm=2.852e+02, Fmax=1.900e+03 (atom 2194)
Step 268, Epot=-2.297474e+05, Fnorm=2.855e+02, Fmax=2.052e+03 (atom 2260)
Step 269, Epot=-2.297704e+05, Fnorm=2.869e+02, Fmax=1.984e+03 (atom 3940)
Step 270, Epot=-2.297965e+05, Fnorm=2.906e+02, Fmax=1.876e+03 (atom 1774)
Step 271, Epot=-2.298214e+05, Fnorm=2.925e+02, Fmax=1.857e+03 (atom 3520)
Step 272, Epot=-2.298465e+05, Fnorm=2.888e+02, Fmax=2.082e+03 (atom 2194)
Step 273, Epot=-2.298721e+05, Fnorm=2.892e+02, Fmax=1.701e+03 (atom 2038)
Step 274, Epot=-2.298993e+05, Fnorm=2.824e+02, Fmax=1.564e+03 (atom 5494)
Step 275, Epot=-2.299235e+05, Fnorm=2.941e+02, Fmax=2.312e+03 (atom 2836)
Step 276, Epot=-2.299511e+05, Fnorm=2.865e+02, Fmax=2.086e+03 (atom 2260)
Step 277, Epot=-2.299781e+05, Fnorm=2.882e+02, Fmax=1.627e+03 (atom 2320)
Step 278, Epot=-2.300038e+05, Fnorm=2.836e+02, Fmax=2.264e+03 (atom 5416)
Step 279, Epot=-2.300288e+05, Fnorm=2.921e+02, Fmax=1.951e+03 (atom 1774)
Step 280, Epot=-2.300554e+05, Fnorm=2.862e+02, Fmax=1.571e+03 (atom 3844)
Step 281, Epot=-2.300817e+05, Fnorm=2.934e+02, Fmax=1.708e+03 (atom 2878)
Step 282, Epot=-2.301074e+05, Fnorm=2.942e+02, Fmax=1.740e+03 (atom 1114)
Step 283, Epot=-2.301337e+05, Fnorm=2.925e+02, Fmax=1.788e+03 (atom 1114)
Step 284, Epot=-2.301593e+05, Fnorm=2.903e+02, Fmax=1.540e+03 (atom 4756)
Step 285, Epot=-2.301840e+05, Fnorm=2.819e+02, Fmax=1.520e+03 (atom 1708)
Step 286, Epot=-2.302077e+05, Fnorm=2.854e+02, Fmax=1.460e+03 (atom 298)
Step 287, Epot=-2.302335e+05, Fnorm=2.834e+02, Fmax=1.564e+03 (atom 3436)
Step 288, Epot=-2.302571e+05, Fnorm=2.907e+02, Fmax=1.875e+03 (atom 1834)
Step 289, Epot=-2.302811e+05, Fnorm=2.927e+02, Fmax=2.117e+03 (atom 2260)
Step 290, Epot=-2.303102e+05, Fnorm=2.879e+02, Fmax=1.516e+03 (atom 5548)
Step 291, Epot=-2.303317e+05, Fnorm=2.826e+02, Fmax=1.620e+03 (atom 1684)
Step 292, Epot=-2.303541e+05, Fnorm=2.783e+02, Fmax=1.368e+03 (atom 2326)
Step 293, Epot=-2.303779e+05, Fnorm=2.917e+02, Fmax=1.780e+03 (atom 4156)
Step 294, Epot=-2.304010e+05, Fnorm=2.914e+02, Fmax=1.724e+03 (atom 5476)
Step 295, Epot=-2.304235e+05, Fnorm=2.896e+02, Fmax=1.575e+03 (atom 4132)
Step 296, Epot=-2.304463e+05, Fnorm=2.838e+02, Fmax=1.576e+03 (atom 3964)
Step 297, Epot=-2.304679e+05, Fnorm=2.814e+02, Fmax=1.584e+03 (atom 2764)
Step 298, Epot=-2.304868e+05, Fnorm=2.850e+02, Fmax=1.798e+03 (atom 4456)
Step 299, Epot=-2.305080e+05, Fnorm=2.834e+02, Fmax=1.469e+03 (atom 3442)
Step 300, Epot=-2.305307e+05, Fnorm=2.896e+02, Fmax=2.129e+03 (atom 6010)
Step 301, Epot=-2.305507e+05, Fnorm=2.918e+02, Fmax=1.760e+03 (atom 2812)
Step 302, Epot=-2.305723e+05, Fnorm=2.858e+02, Fmax=1.807e+03 (atom 2782)
Step 303, Epot=-2.305935e+05, Fnorm=2.868e+02, Fmax=1.790e+03 (atom 2260)
Step 304, Epot=-2.306133e+05, Fnorm=2.907e+02, Fmax=1.844e+03 (atom 1258)
Step 305, Epot=-2.306349e+05, Fnorm=2.880e+02, Fmax=1.816e+03 (atom 4498)
Step 306, Epot=-2.306564e+05, Fnorm=2.852e+02, Fmax=1.490e+03 (atom 3574)
Step 307, Epot=-2.306770e+05, Fnorm=2.909e+02, Fmax=1.828e+03 (atom 1510)
Step 308, Epot=-2.306976e+05, Fnorm=2.867e+02, Fmax=1.446e+03 (atom 4024)
Step 309, Epot=-2.307169e+05, Fnorm=2.920e+02, Fmax=1.637e+03 (atom 2836)
Step 310, Epot=-2.307368e+05, Fnorm=2.849e+02, Fmax=1.625e+03 (atom 5542)
Step 311, Epot=-2.307569e+05, Fnorm=2.861e+02, Fmax=1.988e+03 (atom 2194)
Step 312, Epot=-2.307761e+05, Fnorm=2.925e+02, Fmax=1.965e+03 (atom 1906)
Step 313, Epot=-2.307955e+05, Fnorm=2.896e+02, Fmax=2.003e+03 (atom 2968)
Step 314, Epot=-2.308165e+05, Fnorm=2.831e+02, Fmax=1.674e+03 (atom 1522)
Step 315, Epot=-2.308352e+05, Fnorm=2.892e+02, Fmax=1.644e+03 (atom 2830)
Step 316, Epot=-2.308560e+05, Fnorm=2.873e+02, Fmax=1.648e+03 (atom 2830)
Step 317, Epot=-2.308771e+05, Fnorm=2.902e+02, Fmax=2.217e+03 (atom 2770)
Step 318, Epot=-2.308954e+05, Fnorm=2.868e+02, Fmax=1.786e+03 (atom 5494)
Step 319, Epot=-2.309159e+05, Fnorm=2.855e+02, Fmax=1.791e+03 (atom 6022)
Step 320, Epot=-2.309354e+05, Fnorm=2.811e+02, Fmax=1.616e+03 (atom 652)
Step 321, Epot=-2.309537e+05, Fnorm=2.798e+02, Fmax=1.503e+03 (atom 5542)
Step 322, Epot=-2.309728e+05, Fnorm=2.845e+02, Fmax=1.620e+03 (atom 436)
Step 323, Epot=-2.309905e+05, Fnorm=2.889e+02, Fmax=1.754e+03 (atom 2878)
Step 324, Epot=-2.310092e+05, Fnorm=2.869e+02, Fmax=1.849e+03 (atom 4006)
Step 325, Epot=-2.310272e+05, Fnorm=2.853e+02, Fmax=1.712e+03 (atom 3436)
Step 326, Epot=-2.310439e+05, Fnorm=2.839e+02, Fmax=1.894e+03 (atom 928)
Step 327, Epot=-2.310615e+05, Fnorm=2.854e+02, Fmax=1.799e+03 (atom 6010)
Step 328, Epot=-2.310797e+05, Fnorm=2.876e+02, Fmax=1.696e+03 (atom 5758)
Step 329, Epot=-2.310974e+05, Fnorm=2.892e+02, Fmax=2.171e+03 (atom 2770)
Step 330, Epot=-2.311138e+05, Fnorm=2.848e+02, Fmax=2.316e+03 (atom 2836)
Step 331, Epot=-2.311296e+05, Fnorm=2.825e+02, Fmax=1.709e+03 (atom 4498)
Step 332, Epot=-2.311454e+05, Fnorm=2.772e+02, Fmax=1.440e+03 (atom 982)
Step 333, Epot=-2.311617e+05, Fnorm=2.806e+02, Fmax=1.824e+03 (atom 2260)
Step 334, Epot=-2.311780e+05, Fnorm=2.906e+02, Fmax=2.245e+03 (atom 5746)
Step 335, Epot=-2.311943e+05, Fnorm=2.914e+02, Fmax=2.106e+03 (atom 5416)
Step 336, Epot=-2.312111e+05, Fnorm=2.801e+02, Fmax=1.575e+03 (atom 652)
Step 337, Epot=-2.312279e+05, Fnorm=2.810e+02, Fmax=1.697e+03 (atom 730)
Step 338, Epot=-2.312443e+05, Fnorm=2.814e+02, Fmax=1.594e+03 (atom 4498)
Step 339, Epot=-2.312607e+05, Fnorm=2.830e+02, Fmax=1.529e+03 (atom 2770)
Step 340, Epot=-2.312770e+05, Fnorm=2.879e+02, Fmax=1.652e+03 (atom 1252)
Step 341, Epot=-2.312929e+05, Fnorm=2.876e+02, Fmax=1.535e+03 (atom 5422)
Step 342, Epot=-2.313086e+05, Fnorm=2.818e+02, Fmax=1.768e+03 (atom 5740)
Step 343, Epot=-2.313248e+05, Fnorm=2.904e+02, Fmax=1.740e+03 (atom 6010)
Step 344, Epot=-2.313359e+05, Fnorm=2.874e+02, Fmax=1.776e+03 (atom 6010)
Step 345, Epot=-2.313760e+05, Fnorm=2.834e+02, Fmax=1.650e+03 (atom 3454)
Step 346, Epot=-2.313927e+05, Fnorm=2.865e+02, Fmax=2.362e+03 (atom 2770)
Step 347, Epot=-2.314093e+05, Fnorm=2.928e+02, Fmax=1.669e+03 (atom 2830)
Step 348, Epot=-2.314266e+05, Fnorm=2.885e+02, Fmax=1.628e+03 (atom 1258)
Step 349, Epot=-2.314439e+05, Fnorm=2.859e+02, Fmax=1.555e+03 (atom 4498)
Step 350, Epot=-2.314617e+05, Fnorm=2.832e+02, Fmax=1.711e+03 (atom 2320)
Step 351, Epot=-2.314781e+05, Fnorm=2.883e+02, Fmax=1.659e+03 (atom 1486)
Step 352, Epot=-2.314950e+05, Fnorm=2.787e+02, Fmax=1.909e+03 (atom 1972)
Step 353, Epot=-2.315118e+05, Fnorm=2.823e+02, Fmax=1.764e+03 (atom 5740)
Step 354, Epot=-2.315276e+05, Fnorm=2.880e+02, Fmax=1.940e+03 (atom 2260)
Step 355, Epot=-2.315450e+05, Fnorm=2.836e+02, Fmax=1.526e+03 (atom 244)
Step 356, Epot=-2.315615e+05, Fnorm=2.896e+02, Fmax=1.658e+03 (atom 5482)
Step 357, Epot=-2.315769e+05, Fnorm=2.912e+02, Fmax=1.578e+03 (atom 3958)
Step 358, Epot=-2.315925e+05, Fnorm=2.776e+02, Fmax=1.610e+03 (atom 652)
Step 359, Epot=-2.316071e+05, Fnorm=2.809e+02, Fmax=1.952e+03 (atom 1972)
Step 360, Epot=-2.316213e+05, Fnorm=2.807e+02, Fmax=1.529e+03 (atom 2836)
Step 361, Epot=-2.316365e+05, Fnorm=2.795e+02, Fmax=1.584e+03 (atom 3454)
Step 362, Epot=-2.316496e+05, Fnorm=2.798e+02, Fmax=2.051e+03 (atom 2260)
Step 363, Epot=-2.316633e+05, Fnorm=2.852e+02, Fmax=1.996e+03 (atom 1906)
Step 364, Epot=-2.316767e+05, Fnorm=2.920e+02, Fmax=2.301e+03 (atom 2770)
Step 365, Epot=-2.316895e+05, Fnorm=2.828e+02, Fmax=1.593e+03 (atom 4498)
Step 366, Epot=-2.317037e+05, Fnorm=2.785e+02, Fmax=1.744e+03 (atom 5212)
Step 367, Epot=-2.317165e+05, Fnorm=2.897e+02, Fmax=1.667e+03 (atom 730)
Step 368, Epot=-2.317294e+05, Fnorm=2.822e+02, Fmax=1.698e+03 (atom 586)
Step 369, Epot=-2.317437e+05, Fnorm=2.807e+02, Fmax=1.634e+03 (atom 2830)
Step 370, Epot=-2.317567e+05, Fnorm=2.806e+02, Fmax=1.554e+03 (atom 5476)
Step 371, Epot=-2.317690e+05, Fnorm=2.829e+02, Fmax=1.456e+03 (atom 4756)
Step 372, Epot=-2.317819e+05, Fnorm=2.816e+02, Fmax=2.209e+03 (atom 5746)
Step 373, Epot=-2.317954e+05, Fnorm=2.820e+02, Fmax=1.483e+03 (atom 1504)
Step 374, Epot=-2.318076e+05, Fnorm=2.824e+02, Fmax=2.145e+03 (atom 1972)
Step 375, Epot=-2.318206e+05, Fnorm=2.852e+02, Fmax=1.609e+03 (atom 2830)
Step 376, Epot=-2.318329e+05, Fnorm=2.782e+02, Fmax=1.539e+03 (atom 3436)
Step 377, Epot=-2.318447e+05, Fnorm=2.797e+02, Fmax=1.614e+03 (atom 5944)
Step 378, Epot=-2.318581e+05, Fnorm=2.774e+02, Fmax=1.537e+03 (atom 5614)
Step 379, Epot=-2.318704e+05, Fnorm=2.873e+02, Fmax=1.747e+03 (atom 928)
Step 380, Epot=-2.318828e+05, Fnorm=2.835e+02, Fmax=2.434e+03 (atom 2836)
Step 381, Epot=-2.318954e+05, Fnorm=2.764e+02, Fmax=1.479e+03 (atom 1270)
Step 382, Epot=-2.319073e+05, Fnorm=2.843e+02, Fmax=1.823e+03 (atom 4498)
Step 383, Epot=-2.319185e+05, Fnorm=2.825e+02, Fmax=1.787e+03 (atom 1906)
Step 384, Epot=-2.319308e+05, Fnorm=2.778e+02, Fmax=1.602e+03 (atom 2008)
Step 385, Epot=-2.319420e+05, Fnorm=2.791e+02, Fmax=1.833e+03 (atom 6010)
Step 386, Epot=-2.319535e+05, Fnorm=2.827e+02, Fmax=1.854e+03 (atom 2194)
Step 387, Epot=-2.319650e+05, Fnorm=2.792e+02, Fmax=1.499e+03 (atom 370)
Step 388, Epot=-2.319767e+05, Fnorm=2.828e+02, Fmax=2.086e+03 (atom 4564)
Step 389, Epot=-2.319886e+05, Fnorm=2.810e+02, Fmax=1.648e+03 (atom 5476)
Step 390, Epot=-2.320013e+05, Fnorm=2.817e+02, Fmax=1.978e+03 (atom 1972)
Step 391, Epot=-2.320136e+05, Fnorm=2.789e+02, Fmax=1.464e+03 (atom 5422)
Step 392, Epot=-2.320252e+05, Fnorm=2.819e+02, Fmax=1.682e+03 (atom 3436)
Step 393, Epot=-2.320370e+05, Fnorm=2.761e+02, Fmax=1.686e+03 (atom 370)
Step 394, Epot=-2.320488e+05, Fnorm=2.791e+02, Fmax=1.544e+03 (atom 3574)
Step 395, Epot=-2.320604e+05, Fnorm=2.807e+02, Fmax=1.726e+03 (atom 4156)
Step 396, Epot=-2.320719e+05, Fnorm=2.775e+02, Fmax=1.613e+03 (atom 3826)
Step 397, Epot=-2.320846e+05, Fnorm=2.786e+02, Fmax=1.608e+03 (atom 2770)
Step 398, Epot=-2.320962e+05, Fnorm=2.810e+02, Fmax=1.690e+03 (atom 5890)
Step 399, Epot=-2.321081e+05, Fnorm=2.765e+02, Fmax=1.544e+03 (atom 1834)
Step 400, Epot=-2.321192e+05, Fnorm=2.775e+02, Fmax=2.022e+03 (atom 1510)
Step 401, Epot=-2.321302e+05, Fnorm=2.772e+02, Fmax=1.575e+03 (atom 6172)
Step 402, Epot=-2.321410e+05, Fnorm=2.819e+02, Fmax=1.699e+03 (atom 586)
Step 403, Epot=-2.321527e+05, Fnorm=2.810e+02, Fmax=1.514e+03 (atom 3574)
Step 404, Epot=-2.321644e+05, Fnorm=2.802e+02, Fmax=1.676e+03 (atom 2770)
Step 405, Epot=-2.321755e+05, Fnorm=2.801e+02, Fmax=1.537e+03 (atom 1834)
Step 406, Epot=-2.321861e+05, Fnorm=2.826e+02, Fmax=1.536e+03 (atom 1834)
Step 407, Epot=-2.321973e+05, Fnorm=2.861e+02, Fmax=1.632e+03 (atom 5746)
Step 408, Epot=-2.322083e+05, Fnorm=2.856e+02, Fmax=1.760e+03 (atom 3940)
Step 409, Epot=-2.322192e+05, Fnorm=2.771e+02, Fmax=1.619e+03 (atom 4570)
Step 410, Epot=-2.322302e+05, Fnorm=2.858e+02, Fmax=1.629e+03 (atom 5944)
Step 411, Epot=-2.322413e+05, Fnorm=2.822e+02, Fmax=1.669e+03 (atom 2098)
Step 412, Epot=-2.322530e+05, Fnorm=2.823e+02, Fmax=1.616e+03 (atom 5692)
Step 413, Epot=-2.322643e+05, Fnorm=2.837e+02, Fmax=1.446e+03 (atom 1852)
Step 414, Epot=-2.322768e+05, Fnorm=2.793e+02, Fmax=1.799e+03 (atom 4498)
Step 415, Epot=-2.322882e+05, Fnorm=2.822e+02, Fmax=1.458e+03 (atom 5212)
Step 416, Epot=-2.322999e+05, Fnorm=2.783e+02, Fmax=1.461e+03 (atom 2710)
Step 417, Epot=-2.323112e+05, Fnorm=2.895e+02, Fmax=2.377e+03 (atom 2836)
Step 418, Epot=-2.323228e+05, Fnorm=2.839e+02, Fmax=1.783e+03 (atom 5944)
Step 419, Epot=-2.323340e+05, Fnorm=2.819e+02, Fmax=1.763e+03 (atom 5944)
Step 420, Epot=-2.323451e+05, Fnorm=2.821e+02, Fmax=1.447e+03 (atom 3838)
Step 421, Epot=-2.323562e+05, Fnorm=2.842e+02, Fmax=1.488e+03 (atom 5080)
Step 422, Epot=-2.323671e+05, Fnorm=2.803e+02, Fmax=1.467e+03 (atom 4630)
Step 423, Epot=-2.323793e+05, Fnorm=2.814e+02, Fmax=2.126e+03 (atom 2968)
Step 424, Epot=-2.323677e+05, Fnorm=2.844e+02, Fmax=1.996e+03 (atom 6010)
Step 425, Epot=-2.323796e+05, Fnorm=2.851e+02, Fmax=1.560e+03 (atom 5692)
Step 426, Epot=-2.323923e+05, Fnorm=2.820e+02, Fmax=1.988e+03 (atom 1510)
Step 427, Epot=-2.324050e+05, Fnorm=2.844e+02, Fmax=2.270e+03 (atom 2836)
Step 428, Epot=-2.324165e+05, Fnorm=2.790e+02, Fmax=1.530e+03 (atom 1588)
Step 429, Epot=-2.324284e+05, Fnorm=2.783e+02, Fmax=1.533e+03 (atom 1588)
Step 430, Epot=-2.324407e+05, Fnorm=2.858e+02, Fmax=2.035e+03 (atom 2968)
Step 431, Epot=-2.324520e+05, Fnorm=2.844e+02, Fmax=2.010e+03 (atom 3376)
Step 432, Epot=-2.324630e+05, Fnorm=2.813e+02, Fmax=1.621e+03 (atom 3454)
Step 433, Epot=-2.324746e+05, Fnorm=2.838e+02, Fmax=1.937e+03 (atom 4498)
Step 434, Epot=-2.324858e+05, Fnorm=2.860e+02, Fmax=1.625e+03 (atom 5740)
Step 435, Epot=-2.324965e+05, Fnorm=2.850e+02, Fmax=1.767e+03 (atom 6220)
Step 436, Epot=-2.325071e+05, Fnorm=2.793e+02, Fmax=1.585e+03 (atom 1504)
Step 437, Epot=-2.325173e+05, Fnorm=2.817e+02, Fmax=1.685e+03 (atom 664)
Step 438, Epot=-2.325271e+05, Fnorm=2.823e+02, Fmax=1.520e+03 (atom 5746)
Step 439, Epot=-2.325368e+05, Fnorm=2.791e+02, Fmax=1.363e+03 (atom 1330)
Step 440, Epot=-2.325472e+05, Fnorm=2.798e+02, Fmax=1.655e+03 (atom 436)
Step 441, Epot=-2.325570e+05, Fnorm=2.826e+02, Fmax=1.835e+03 (atom 4498)
Step 442, Epot=-2.325668e+05, Fnorm=2.869e+02, Fmax=1.743e+03 (atom 2446)
Step 443, Epot=-2.325768e+05, Fnorm=2.834e+02, Fmax=1.671e+03 (atom 2836)
Step 444, Epot=-2.325868e+05, Fnorm=2.803e+02, Fmax=1.473e+03 (atom 3910)
Step 445, Epot=-2.325975e+05, Fnorm=2.820e+02, Fmax=1.577e+03 (atom 4774)
Step 446, Epot=-2.326070e+05, Fnorm=2.837e+02, Fmax=1.649e+03 (atom 994)
Step 447, Epot=-2.326168e+05, Fnorm=2.836e+02, Fmax=1.900e+03 (atom 2194)
Step 448, Epot=-2.326256e+05, Fnorm=2.900e+02, Fmax=1.520e+03 (atom 5890)
Step 449, Epot=-2.326349e+05, Fnorm=2.798e+02, Fmax=1.552e+03 (atom 3910)
Step 450, Epot=-2.326446e+05, Fnorm=2.820e+02, Fmax=1.504e+03 (atom 5080)
Step 451, Epot=-2.326535e+05, Fnorm=2.831e+02, Fmax=1.494e+03 (atom 4498)
Step 452, Epot=-2.326629e+05, Fnorm=2.777e+02, Fmax=1.472e+03 (atom 4624)
Step 453, Epot=-2.326728e+05, Fnorm=2.805e+02, Fmax=1.664e+03 (atom 5476)
Step 454, Epot=-2.326819e+05, Fnorm=2.838e+02, Fmax=1.972e+03 (atom 1906)
Step 455, Epot=-2.326915e+05, Fnorm=2.869e+02, Fmax=1.615e+03 (atom 928)
Step 456, Epot=-2.327013e+05, Fnorm=2.769e+02, Fmax=1.628e+03 (atom 928)
Step 457, Epot=-2.327108e+05, Fnorm=2.815e+02, Fmax=1.410e+03 (atom 2404)
Step 458, Epot=-2.327199e+05, Fnorm=2.879e+02, Fmax=1.443e+03 (atom 4798)
Step 459, Epot=-2.327298e+05, Fnorm=2.791e+02, Fmax=1.496e+03 (atom 2698)
Step 460, Epot=-2.327392e+05, Fnorm=2.804e+02, Fmax=2.124e+03 (atom 2968)
Step 461, Epot=-2.327483e+05, Fnorm=2.775e+02, Fmax=1.726e+03 (atom 1252)
Step 462, Epot=-2.327566e+05, Fnorm=2.794e+02, Fmax=1.701e+03 (atom 1708)
Step 463, Epot=-2.327652e+05, Fnorm=2.792e+02, Fmax=2.126e+03 (atom 2836)
Step 464, Epot=-2.327738e+05, Fnorm=2.839e+02, Fmax=1.620e+03 (atom 916)
Step 465, Epot=-2.327823e+05, Fnorm=2.834e+02, Fmax=1.611e+03 (atom 1876)
Step 466, Epot=-2.327914e+05, Fnorm=2.843e+02, Fmax=1.681e+03 (atom 1708)
Step 467, Epot=-2.328006e+05, Fnorm=2.843e+02, Fmax=1.672e+03 (atom 5494)
Step 468, Epot=-2.328090e+05, Fnorm=2.828e+02, Fmax=1.724e+03 (atom 6010)
Step 469, Epot=-2.328171e+05, Fnorm=2.790e+02, Fmax=1.637e+03 (atom 5872)
Step 470, Epot=-2.328256e+05, Fnorm=2.793e+02, Fmax=1.491e+03 (atom 5080)
Step 471, Epot=-2.328340e+05, Fnorm=2.775e+02, Fmax=1.774e+03 (atom 2446)
Step 472, Epot=-2.328422e+05, Fnorm=2.791e+02, Fmax=1.514e+03 (atom 2902)
Step 473, Epot=-2.328509e+05, Fnorm=2.888e+02, Fmax=2.263e+03 (atom 5482)
Step 474, Epot=-2.328593e+05, Fnorm=2.815e+02, Fmax=1.530e+03 (atom 3700)
Step 475, Epot=-2.328677e+05, Fnorm=2.797e+02, Fmax=1.723e+03 (atom 1708)
Step 476, Epot=-2.328757e+05, Fnorm=2.813e+02, Fmax=1.824e+03 (atom 2836)
Step 477, Epot=-2.328838e+05, Fnorm=2.768e+02, Fmax=1.520e+03 (atom 2836)
Step 478, Epot=-2.328925e+05, Fnorm=2.798e+02, Fmax=1.679e+03 (atom 5944)
Step 479, Epot=-2.329001e+05, Fnorm=2.921e+02, Fmax=1.708e+03 (atom 5218)
Step 480, Epot=-2.329080e+05, Fnorm=2.834e+02, Fmax=1.680e+03 (atom 5944)
Step 481, Epot=-2.329162e+05, Fnorm=2.790e+02, Fmax=1.615e+03 (atom 436)
Step 482, Epot=-2.329239e+05, Fnorm=2.776e+02, Fmax=2.228e+03 (atom 4330)
Step 483, Epot=-2.329312e+05, Fnorm=2.774e+02, Fmax=1.577e+03 (atom 2782)
Step 484, Epot=-2.329394e+05, Fnorm=2.858e+02, Fmax=1.494e+03 (atom 2836)
Step 485, Epot=-2.329478e+05, Fnorm=2.819e+02, Fmax=1.780e+03 (atom 1576)
Step 486, Epot=-2.329563e+05, Fnorm=2.806e+02, Fmax=2.121e+03 (atom 3130)
Step 487, Epot=-2.329642e+05, Fnorm=2.865e+02, Fmax=2.004e+03 (atom 5746)
Step 488, Epot=-2.329722e+05, Fnorm=2.831e+02, Fmax=1.859e+03 (atom 4498)
Step 489, Epot=-2.329802e+05, Fnorm=2.784e+02, Fmax=2.067e+03 (atom 1510)
Step 490, Epot=-2.329877e+05, Fnorm=2.792e+02, Fmax=1.717e+03 (atom 2392)
Step 491, Epot=-2.329952e+05, Fnorm=2.764e+02, Fmax=1.723e+03 (atom 2836)
Step 492, Epot=-2.330029e+05, Fnorm=2.810e+02, Fmax=1.766e+03 (atom 5494)
Step 493, Epot=-2.330104e+05, Fnorm=2.848e+02, Fmax=1.457e+03 (atom 4108)
Step 494, Epot=-2.330180e+05, Fnorm=2.854e+02, Fmax=1.711e+03 (atom 586)
Step 495, Epot=-2.330260e+05, Fnorm=2.850e+02, Fmax=1.565e+03 (atom 5614)
Step 496, Epot=-2.330337e+05, Fnorm=2.834e+02, Fmax=1.788e+03 (atom 2902)
Step 497, Epot=-2.330409e+05, Fnorm=2.898e+02, Fmax=1.587e+03 (atom 1642)
Step 498, Epot=-2.330481e+05, Fnorm=2.799e+02, Fmax=2.219e+03 (atom 5482)
Step 499, Epot=-2.330558e+05, Fnorm=2.773e+02, Fmax=1.435e+03 (atom 1486)
Step 500, Epot=-2.330630e+05, Fnorm=2.814e+02, Fmax=1.887e+03 (atom 1906)
Step 501, Epot=-2.330701e+05, Fnorm=2.859e+02, Fmax=1.599e+03 (atom 1570)
Step 502, Epot=-2.330773e+05, Fnorm=2.875e+02, Fmax=2.099e+03 (atom 5746)
Step 503, Epot=-2.330854e+05, Fnorm=2.767e+02, Fmax=1.713e+03 (atom 1252)
Step 504, Epot=-2.330932e+05, Fnorm=2.834e+02, Fmax=2.003e+03 (atom 2446)
Step 505, Epot=-2.331002e+05, Fnorm=2.843e+02, Fmax=1.710e+03 (atom 2038)
Step 506, Epot=-2.331084e+05, Fnorm=2.807e+02, Fmax=1.673e+03 (atom 826)
Step 507, Epot=-2.331169e+05, Fnorm=2.792e+02, Fmax=1.938e+03 (atom 3898)
Step 508, Epot=-2.331246e+05, Fnorm=2.850e+02, Fmax=2.002e+03 (atom 4264)
Step 509, Epot=-2.331329e+05, Fnorm=2.835e+02, Fmax=1.444e+03 (atom 5032)
Step 510, Epot=-2.331414e+05, Fnorm=2.846e+02, Fmax=1.660e+03 (atom 916)
Step 511, Epot=-2.331496e+05, Fnorm=2.779e+02, Fmax=1.818e+03 (atom 5476)
Step 512, Epot=-2.331577e+05, Fnorm=2.836e+02, Fmax=1.625e+03 (atom 4156)
Step 513, Epot=-2.331655e+05, Fnorm=2.763e+02, Fmax=1.978e+03 (atom 5944)
Step 514, Epot=-2.331729e+05, Fnorm=2.813e+02, Fmax=1.963e+03 (atom 1906)
Step 515, Epot=-2.331801e+05, Fnorm=2.821e+02, Fmax=1.644e+03 (atom 1684)
Step 516, Epot=-2.331877e+05, Fnorm=2.901e+02, Fmax=1.697e+03 (atom 868)
Step 517, Epot=-2.331953e+05, Fnorm=2.830e+02, Fmax=1.652e+03 (atom 5422)
Step 518, Epot=-2.332035e+05, Fnorm=2.826e+02, Fmax=1.528e+03 (atom 5032)
Step 519, Epot=-2.332356e+05, Fnorm=2.875e+02, Fmax=1.806e+03 (atom 4498)
Step 520, Epot=-2.332445e+05, Fnorm=2.842e+02, Fmax=1.704e+03 (atom 5218)
Step 521, Epot=-2.332534e+05, Fnorm=2.819e+02, Fmax=1.428e+03 (atom 4336)
Step 522, Epot=-2.332623e+05, Fnorm=2.839e+02, Fmax=1.820e+03 (atom 6022)
Step 523, Epot=-2.332705e+05, Fnorm=2.817e+02, Fmax=1.596e+03 (atom 1486)
Step 524, Epot=-2.332785e+05, Fnorm=2.794e+02, Fmax=1.615e+03 (atom 586)
Step 525, Epot=-2.332869e+05, Fnorm=2.841e+02, Fmax=1.985e+03 (atom 2194)
Step 526, Epot=-2.332941e+05, Fnorm=2.858e+02, Fmax=1.838e+03 (atom 4498)
Step 527, Epot=-2.333016e+05, Fnorm=2.823e+02, Fmax=1.733e+03 (atom 5608)
Step 528, Epot=-2.333092e+05, Fnorm=2.828e+02, Fmax=1.687e+03 (atom 2770)
Step 529, Epot=-2.333165e+05, Fnorm=2.844e+02, Fmax=1.712e+03 (atom 1708)
Step 530, Epot=-2.333243e+05, Fnorm=2.878e+02, Fmax=2.052e+03 (atom 3130)
Step 531, Epot=-2.333317e+05, Fnorm=2.904e+02, Fmax=1.625e+03 (atom 2746)
Step 532, Epot=-2.333395e+05, Fnorm=2.835e+02, Fmax=1.641e+03 (atom 3796)
Step 533, Epot=-2.333480e+05, Fnorm=2.824e+02, Fmax=1.918e+03 (atom 802)
Step 534, Epot=-2.333558e+05, Fnorm=2.817e+02, Fmax=2.030e+03 (atom 1972)
Step 535, Epot=-2.333635e+05, Fnorm=2.784e+02, Fmax=1.988e+03 (atom 2968)
Step 536, Epot=-2.333717e+05, Fnorm=2.775e+02, Fmax=2.043e+03 (atom 1354)
Step 537, Epot=-2.333795e+05, Fnorm=2.837e+02, Fmax=1.689e+03 (atom 1708)
Step 538, Epot=-2.333868e+05, Fnorm=2.824e+02, Fmax=1.527e+03 (atom 4156)
Step 539, Epot=-2.333948e+05, Fnorm=2.747e+02, Fmax=1.722e+03 (atom 916)
Step 540, Epot=-2.334019e+05, Fnorm=2.822e+02, Fmax=1.666e+03 (atom 370)
Step 541, Epot=-2.334088e+05, Fnorm=2.819e+02, Fmax=1.632e+03 (atom 3520)
Step 542, Epot=-2.334163e+05, Fnorm=2.832e+02, Fmax=1.938e+03 (atom 5482)
Step 543, Epot=-2.334239e+05, Fnorm=2.882e+02, Fmax=1.764e+03 (atom 2770)
Step 544, Epot=-2.334312e+05, Fnorm=2.859e+02, Fmax=1.765e+03 (atom 2902)
Step 545, Epot=-2.334393e+05, Fnorm=2.821e+02, Fmax=2.004e+03 (atom 2194)
Step 546, Epot=-2.334468e+05, Fnorm=2.747e+02, Fmax=1.589e+03 (atom 5938)
Step 547, Epot=-2.334538e+05, Fnorm=2.784e+02, Fmax=1.733e+03 (atom 6010)
Step 548, Epot=-2.334611e+05, Fnorm=2.804e+02, Fmax=1.736e+03 (atom 3454)
Step 549, Epot=-2.334688e+05, Fnorm=2.836e+02, Fmax=1.647e+03 (atom 3898)
Step 550, Epot=-2.334758e+05, Fnorm=2.898e+02, Fmax=1.641e+03 (atom 3898)
Step 551, Epot=-2.334830e+05, Fnorm=2.792e+02, Fmax=2.203e+03 (atom 2836)
Step 552, Epot=-2.334901e+05, Fnorm=2.807e+02, Fmax=1.609e+03 (atom 1618)
Step 553, Epot=-2.334963e+05, Fnorm=2.900e+02, Fmax=1.843e+03 (atom 1252)
Step 554, Epot=-2.335030e+05, Fnorm=2.880e+02, Fmax=1.454e+03 (atom 922)
Step 555, Epot=-2.335097e+05, Fnorm=2.831e+02, Fmax=1.599e+03 (atom 3826)
Step 556, Epot=-2.335157e+05, Fnorm=2.803e+02, Fmax=1.584e+03 (atom 3508)
Step 557, Epot=-2.335217e+05, Fnorm=2.815e+02, Fmax=2.218e+03 (atom 5482)
Step 558, Epot=-2.335278e+05, Fnorm=2.795e+02, Fmax=2.380e+03 (atom 2770)
Step 559, Epot=-2.335337e+05, Fnorm=2.855e+02, Fmax=1.710e+03 (atom 1258)
Step 560, Epot=-2.335398e+05, Fnorm=2.828e+02, Fmax=1.759e+03 (atom 5938)
Step 561, Epot=-2.335463e+05, Fnorm=2.847e+02, Fmax=1.519e+03 (atom 2680)
Step 562, Epot=-2.335525e+05, Fnorm=2.858e+02, Fmax=1.543e+03 (atom 1504)
Step 563, Epot=-2.335587e+05, Fnorm=2.781e+02, Fmax=1.700e+03 (atom 670)
Step 564, Epot=-2.335650e+05, Fnorm=2.766e+02, Fmax=1.886e+03 (atom 3574)
Step 565, Epot=-2.335711e+05, Fnorm=2.782e+02, Fmax=1.531e+03 (atom 3808)
Step 566, Epot=-2.335771e+05, Fnorm=2.849e+02, Fmax=1.542e+03 (atom 5608)
Step 567, Epot=-2.335831e+05, Fnorm=2.841e+02, Fmax=1.644e+03 (atom 5740)
Step 568, Epot=-2.335893e+05, Fnorm=2.824e+02, Fmax=1.923e+03 (atom 3376)
Step 569, Epot=-2.335951e+05, Fnorm=2.830e+02, Fmax=1.815e+03 (atom 5938)
Step 570, Epot=-2.336011e+05, Fnorm=2.775e+02, Fmax=1.580e+03 (atom 1354)
Step 571, Epot=-2.336071e+05, Fnorm=2.770e+02, Fmax=1.693e+03 (atom 6112)
Step 572, Epot=-2.336128e+05, Fnorm=2.885e+02, Fmax=1.559e+03 (atom 922)
Step 573, Epot=-2.336186e+05, Fnorm=2.795e+02, Fmax=1.582e+03 (atom 5032)
Step 574, Epot=-2.336246e+05, Fnorm=2.799e+02, Fmax=1.445e+03 (atom 5428)
Step 575, Epot=-2.336301e+05, Fnorm=2.843e+02, Fmax=1.679e+03 (atom 1576)
Step 576, Epot=-2.336358e+05, Fnorm=2.762e+02, Fmax=1.627e+03 (atom 2098)
Step 577, Epot=-2.336412e+05, Fnorm=2.860e+02, Fmax=2.181e+03 (atom 5878)
Step 578, Epot=-2.336468e+05, Fnorm=2.774e+02, Fmax=1.479e+03 (atom 2404)
Step 579, Epot=-2.336522e+05, Fnorm=2.823e+02, Fmax=1.746e+03 (atom 2392)
Step 580, Epot=-2.336575e+05, Fnorm=2.800e+02, Fmax=1.981e+03 (atom 3376)
Step 581, Epot=-2.336630e+05, Fnorm=2.741e+02, Fmax=1.889e+03 (atom 3130)
Step 582, Epot=-2.336683e+05, Fnorm=2.795e+02, Fmax=1.854e+03 (atom 5686)
Step 583, Epot=-2.336733e+05, Fnorm=2.787e+02, Fmax=1.808e+03 (atom 1708)
Step 584, Epot=-2.336782e+05, Fnorm=2.838e+02, Fmax=1.775e+03 (atom 3520)
Step 585, Epot=-2.336832e+05, Fnorm=2.769e+02, Fmax=1.740e+03 (atom 6112)
Step 586, Epot=-2.336877e+05, Fnorm=2.776e+02, Fmax=1.904e+03 (atom 4264)
Step 587, Epot=-2.336926e+05, Fnorm=2.754e+02, Fmax=2.300e+03 (atom 5878)
Step 588, Epot=-2.336975e+05, Fnorm=2.781e+02, Fmax=1.816e+03 (atom 6010)
Step 589, Epot=-2.337027e+05, Fnorm=2.797e+02, Fmax=2.146e+03 (atom 2770)
Step 590, Epot=-2.337075e+05, Fnorm=2.868e+02, Fmax=1.688e+03 (atom 2878)
Step 591, Epot=-2.336891e+05, Fnorm=2.856e+02, Fmax=1.729e+03 (atom 2038)
Step 592, Epot=-2.336935e+05, Fnorm=2.795e+02, Fmax=1.437e+03 (atom 4756)
Step 593, Epot=-2.336982e+05, Fnorm=2.774e+02, Fmax=1.569e+03 (atom 4570)
Step 594, Epot=-2.337029e+05, Fnorm=2.703e+02, Fmax=1.441e+03 (atom 994)
Step 595, Epot=-2.337072e+05, Fnorm=2.754e+02, Fmax=1.576e+03 (atom 586)
Step 596, Epot=-2.337118e+05, Fnorm=2.742e+02, Fmax=2.141e+03 (atom 3898)
Step 597, Epot=-2.337162e+05, Fnorm=2.823e+02, Fmax=1.797e+03 (atom 1252)
Step 598, Epot=-2.337205e+05, Fnorm=2.816e+02, Fmax=1.449e+03 (atom 2044)
Step 599, Epot=-2.337250e+05, Fnorm=2.817e+02, Fmax=1.612e+03 (atom 4498)
Step 600, Epot=-2.337295e+05, Fnorm=2.885e+02, Fmax=1.813e+03 (atom 2770)
Step 601, Epot=-2.337339e+05, Fnorm=2.772e+02, Fmax=1.632e+03 (atom 4642)
Step 602, Epot=-2.337388e+05, Fnorm=2.793e+02, Fmax=1.657e+03 (atom 3442)
Step 603, Epot=-2.337432e+05, Fnorm=2.816e+02, Fmax=1.934e+03 (atom 1510)
Step 604, Epot=-2.337479e+05, Fnorm=2.743e+02, Fmax=1.367e+03 (atom 982)
Step 605, Epot=-2.337522e+05, Fnorm=2.851e+02, Fmax=1.982e+03 (atom 2194)
Step 606, Epot=-2.337565e+05, Fnorm=2.794e+02, Fmax=1.840e+03 (atom 1252)
Step 607, Epot=-2.337605e+05, Fnorm=2.741e+02, Fmax=1.376e+03 (atom 3382)
Step 608, Epot=-2.337645e+05, Fnorm=2.751e+02, Fmax=1.632e+03 (atom 3574)
Step 609, Epot=-2.337689e+05, Fnorm=2.718e+02, Fmax=1.597e+03 (atom 5872)
Step 610, Epot=-2.337732e+05, Fnorm=2.781e+02, Fmax=1.605e+03 (atom 586)
Step 611, Epot=-2.337778e+05, Fnorm=2.805e+02, Fmax=1.932e+03 (atom 2770)
Step 612, Epot=-2.337826e+05, Fnorm=2.817e+02, Fmax=1.937e+03 (atom 5944)
Step 613, Epot=-2.337872e+05, Fnorm=2.816e+02, Fmax=1.516e+03 (atom 1402)
Step 614, Epot=-2.337920e+05, Fnorm=2.789e+02, Fmax=1.946e+03 (atom 2194)
Step 615, Epot=-2.337966e+05, Fnorm=2.791e+02, Fmax=1.627e+03 (atom 5878)
Step 616, Epot=-2.338014e+05, Fnorm=2.770e+02, Fmax=1.923e+03 (atom 2446)
Step 617, Epot=-2.338060e+05, Fnorm=2.796e+02, Fmax=1.939e+03 (atom 3376)
Step 618, Epot=-2.338106e+05, Fnorm=2.786e+02, Fmax=1.662e+03 (atom 5692)
Step 619, Epot=-2.338152e+05, Fnorm=2.772e+02, Fmax=1.736e+03 (atom 1510)
Step 620, Epot=-2.338195e+05, Fnorm=2.830e+02, Fmax=1.573e+03 (atom 598)
Step 621, Epot=-2.338241e+05, Fnorm=2.749e+02, Fmax=1.926e+03 (atom 2194)
Step 622, Epot=-2.338289e+05, Fnorm=2.835e+02, Fmax=1.917e+03 (atom 2194)
Step 623, Epot=-2.338335e+05, Fnorm=2.778e+02, Fmax=1.631e+03 (atom 5878)
Step 624, Epot=-2.338382e+05, Fnorm=2.803e+02, Fmax=1.632e+03 (atom 5878)
Step 625, Epot=-2.338429e+05, Fnorm=2.859e+02, Fmax=1.584e+03 (atom 3508)
Step 626, Epot=-2.338475e+05, Fnorm=2.740e+02, Fmax=1.572e+03 (atom 3508)
Step 627, Epot=-2.338524e+05, Fnorm=2.723e+02, Fmax=1.350e+03 (atom 6238)
Step 628, Epot=-2.338570e+05, Fnorm=2.784e+02, Fmax=1.737e+03 (atom 2836)
Step 629, Epot=-2.338619e+05, Fnorm=2.790e+02, Fmax=1.631e+03 (atom 5080)
Step 630, Epot=-2.338670e+05, Fnorm=2.798e+02, Fmax=1.482e+03 (atom 2974)
Step 631, Epot=-2.338720e+05, Fnorm=2.784e+02, Fmax=1.598e+03 (atom 586)
Step 632, Epot=-2.338766e+05, Fnorm=2.837e+02, Fmax=1.714e+03 (atom 5938)
Step 633, Epot=-2.338817e+05, Fnorm=2.835e+02, Fmax=2.028e+03 (atom 1972)
Step 634, Epot=-2.338862e+05, Fnorm=2.906e+02, Fmax=2.494e+03 (atom 1510)
Step 635, Epot=-2.338910e+05, Fnorm=2.744e+02, Fmax=1.724e+03 (atom 3574)
Step 636, Epot=-2.338957e+05, Fnorm=2.733e+02, Fmax=1.853e+03 (atom 2770)
Step 637, Epot=-2.338999e+05, Fnorm=2.775e+02, Fmax=1.542e+03 (atom 3508)
Step 638, Epot=-2.339046e+05, Fnorm=2.755e+02, Fmax=1.604e+03 (atom 2044)
Step 639, Epot=-2.339091e+05, Fnorm=2.808e+02, Fmax=1.797e+03 (atom 1708)
Step 640, Epot=-2.339133e+05, Fnorm=2.864e+02, Fmax=1.805e+03 (atom 1708)
Step 641, Epot=-2.339174e+05, Fnorm=2.815e+02, Fmax=1.840e+03 (atom 2902)
Step 642, Epot=-2.339215e+05, Fnorm=2.727e+02, Fmax=1.984e+03 (atom 2968)
Step 643, Epot=-2.339259e+05, Fnorm=2.721e+02, Fmax=1.588e+03 (atom 5428)
Step 644, Epot=-2.339305e+05, Fnorm=2.749e+02, Fmax=1.620e+03 (atom 3958)
Step 645, Epot=-2.339350e+05, Fnorm=2.787e+02, Fmax=2.149e+03 (atom 5746)
Step 646, Epot=-2.339393e+05, Fnorm=2.812e+02, Fmax=1.638e+03 (atom 1582)
Step 647, Epot=-2.339441e+05, Fnorm=2.791e+02, Fmax=1.767e+03 (atom 5938)
Step 648, Epot=-2.339483e+05, Fnorm=2.800e+02, Fmax=1.908e+03 (atom 1510)
Step 649, Epot=-2.339528e+05, Fnorm=2.718e+02, Fmax=1.616e+03 (atom 5740)
Step 650, Epot=-2.339571e+05, Fnorm=2.782e+02, Fmax=1.528e+03 (atom 4630)
Step 651, Epot=-2.339611e+05, Fnorm=2.770e+02, Fmax=1.671e+03 (atom 538)
Step 652, Epot=-2.339651e+05, Fnorm=2.748e+02, Fmax=1.614e+03 (atom 586)
Step 653, Epot=-2.339689e+05, Fnorm=2.853e+02, Fmax=1.814e+03 (atom 6010)
Step 654, Epot=-2.339733e+05, Fnorm=2.807e+02, Fmax=1.795e+03 (atom 6010)
Step 655, Epot=-2.339775e+05, Fnorm=2.786e+02, Fmax=1.515e+03 (atom 5032)
Step 656, Epot=-2.339815e+05, Fnorm=2.809e+02, Fmax=1.830e+03 (atom 5614)
Step 657, Epot=-2.339858e+05, Fnorm=2.808e+02, Fmax=1.832e+03 (atom 5614)
Step 658, Epot=-2.339898e+05, Fnorm=2.747e+02, Fmax=1.959e+03 (atom 3130)
Step 659, Epot=-2.339939e+05, Fnorm=2.823e+02, Fmax=1.982e+03 (atom 3376)
Step 660, Epot=-2.339982e+05, Fnorm=2.816e+02, Fmax=1.617e+03 (atom 3442)
Step 661, Epot=-2.340025e+05, Fnorm=2.819e+02, Fmax=2.040e+03 (atom 1510)
Step 662, Epot=-2.340068e+05, Fnorm=2.779e+02, Fmax=1.672e+03 (atom 5956)
Step 663, Epot=-2.340108e+05, Fnorm=2.739e+02, Fmax=1.490e+03 (atom 5890)
Step 664, Epot=-2.340150e+05, Fnorm=2.753e+02, Fmax=2.072e+03 (atom 1906)
Step 665, Epot=-2.340191e+05, Fnorm=2.797e+02, Fmax=1.767e+03 (atom 4030)
Step 666, Epot=-2.340231e+05, Fnorm=2.720e+02, Fmax=1.365e+03 (atom 4156)
Step 667, Epot=-2.340273e+05, Fnorm=2.732e+02, Fmax=1.619e+03 (atom 1258)
Step 668, Epot=-2.340315e+05, Fnorm=2.819e+02, Fmax=1.587e+03 (atom 4762)
Step 669, Epot=-2.340355e+05, Fnorm=2.844e+02, Fmax=1.668e+03 (atom 730)
Step 670, Epot=-2.340396e+05, Fnorm=2.785e+02, Fmax=1.427e+03 (atom 5944)
Step 671, Epot=-2.340434e+05, Fnorm=2.783e+02, Fmax=1.530e+03 (atom 6082)
Step 672, Epot=-2.340472e+05, Fnorm=2.749e+02, Fmax=1.638e+03 (atom 6022)
Step 673, Epot=-2.340511e+05, Fnorm=2.733e+02, Fmax=1.599e+03 (atom 1354)
Step 674, Epot=-2.340547e+05, Fnorm=2.792e+02, Fmax=1.607e+03 (atom 1354)
Step 675, Epot=-2.340585e+05, Fnorm=2.754e+02, Fmax=1.397e+03 (atom 5212)
Step 676, Epot=-2.340622e+05, Fnorm=2.792e+02, Fmax=1.953e+03 (atom 4498)
Step 677, Epot=-2.340660e+05, Fnorm=2.815e+02, Fmax=1.602e+03 (atom 4570)
Step 678, Epot=-2.340699e+05, Fnorm=2.779e+02, Fmax=1.588e+03 (atom 4570)
Step 679, Epot=-2.340739e+05, Fnorm=2.776e+02, Fmax=2.073e+03 (atom 1906)
Step 680, Epot=-2.340777e+05, Fnorm=2.772e+02, Fmax=1.678e+03 (atom 1504)
Step 681, Epot=-2.340816e+05, Fnorm=2.734e+02, Fmax=1.836e+03 (atom 2446)
Step 682, Epot=-2.340854e+05, Fnorm=2.843e+02, Fmax=1.635e+03 (atom 1582)
Step 683, Epot=-2.340893e+05, Fnorm=2.835e+02, Fmax=1.930e+03 (atom 2902)
Step 684, Epot=-2.340932e+05, Fnorm=2.770e+02, Fmax=1.476e+03 (atom 5152)
Step 685, Epot=-2.340968e+05, Fnorm=2.800e+02, Fmax=1.623e+03 (atom 1618)
Step 686, Epot=-2.341002e+05, Fnorm=2.750e+02, Fmax=2.036e+03 (atom 2770)
Step 687, Epot=-2.341039e+05, Fnorm=2.760e+02, Fmax=1.598e+03 (atom 5608)
Step 688, Epot=-2.341076e+05, Fnorm=2.828e+02, Fmax=1.608e+03 (atom 5740)
Step 689, Epot=-2.341111e+05, Fnorm=2.819e+02, Fmax=1.878e+03 (atom 2446)
Step 690, Epot=-2.341147e+05, Fnorm=2.779e+02, Fmax=1.823e+03 (atom 3574)
Step 691, Epot=-2.341185e+05, Fnorm=2.778e+02, Fmax=1.720e+03 (atom 1708)
Step 692, Epot=-2.341219e+05, Fnorm=2.804e+02, Fmax=1.606e+03 (atom 370)
Step 693, Epot=-2.341259e+05, Fnorm=2.773e+02, Fmax=1.619e+03 (atom 1636)
Step 694, Epot=-2.341296e+05, Fnorm=2.817e+02, Fmax=1.806e+03 (atom 370)
Step 695, Epot=-2.341333e+05, Fnorm=2.731e+02, Fmax=2.031e+03 (atom 3130)
Step 696, Epot=-2.341374e+05, Fnorm=2.791e+02, Fmax=2.033e+03 (atom 3130)
Step 697, Epot=-2.341409e+05, Fnorm=2.822e+02, Fmax=1.947e+03 (atom 3376)
Step 698, Epot=-2.341449e+05, Fnorm=2.822e+02, Fmax=1.687e+03 (atom 1708)
Step 699, Epot=-2.341490e+05, Fnorm=2.832e+02, Fmax=2.024e+03 (atom 2770)
Step 700, Epot=-2.341528e+05, Fnorm=2.784e+02, Fmax=1.536e+03 (atom 5428)
Step 701, Epot=-2.341569e+05, Fnorm=2.713e+02, Fmax=1.578e+03 (atom 5032)
Step 702, Epot=-2.341607e+05, Fnorm=2.821e+02, Fmax=2.012e+03 (atom 2968)
Step 703, Epot=-2.341646e+05, Fnorm=2.762e+02, Fmax=2.002e+03 (atom 1906)
Step 704, Epot=-2.341683e+05, Fnorm=2.751e+02, Fmax=1.936e+03 (atom 3376)
Step 705, Epot=-2.341718e+05, Fnorm=2.736e+02, Fmax=1.556e+03 (atom 5890)
Step 706, Epot=-2.341756e+05, Fnorm=2.769e+02, Fmax=1.836e+03 (atom 4498)
Step 707, Epot=-2.341798e+05, Fnorm=2.775e+02, Fmax=1.634e+03 (atom 5692)
Step 708, Epot=-2.341840e+05, Fnorm=2.834e+02, Fmax=1.729e+03 (atom 3898)
Step 709, Epot=-2.341881e+05, Fnorm=2.846e+02, Fmax=1.720e+03 (atom 6010)
Step 710, Epot=-2.341921e+05, Fnorm=2.736e+02, Fmax=1.660e+03 (atom 2746)
Step 711, Epot=-2.341960e+05, Fnorm=2.762e+02, Fmax=1.499e+03 (atom 2698)
Step 712, Epot=-2.341999e+05, Fnorm=2.826e+02, Fmax=1.617e+03 (atom 1516)
Step 713, Epot=-2.342038e+05, Fnorm=2.845e+02, Fmax=1.628e+03 (atom 5740)
Step 714, Epot=-2.342076e+05, Fnorm=2.768e+02, Fmax=1.477e+03 (atom 4630)
Step 715, Epot=-2.342346e+05, Fnorm=2.729e+02, Fmax=1.582e+03 (atom 3808)
Step 716, Epot=-2.342384e+05, Fnorm=2.736e+02, Fmax=1.629e+03 (atom 2044)
Step 717, Epot=-2.342422e+05, Fnorm=2.765e+02, Fmax=2.037e+03 (atom 1510)
Step 718, Epot=-2.342462e+05, Fnorm=2.820e+02, Fmax=2.043e+03 (atom 1510)
Step 719, Epot=-2.342501e+05, Fnorm=2.828e+02, Fmax=2.001e+03 (atom 2968)
Step 720, Epot=-2.342540e+05, Fnorm=2.795e+02, Fmax=1.873e+03 (atom 4498)
Step 721, Epot=-2.342574e+05, Fnorm=2.743e+02, Fmax=1.959e+03 (atom 4762)
Step 722, Epot=-2.342606e+05, Fnorm=2.689e+02, Fmax=1.477e+03 (atom 3442)
Step 723, Epot=-2.342638e+05, Fnorm=2.719e+02, Fmax=1.525e+03 (atom 916)
Step 724, Epot=-2.342670e+05, Fnorm=2.807e+02, Fmax=2.003e+03 (atom 2968)
Step 725, Epot=-2.342701e+05, Fnorm=2.815e+02, Fmax=1.671e+03 (atom 5938)
Step 726, Epot=-2.342735e+05, Fnorm=2.787e+02, Fmax=1.608e+03 (atom 1258)
Step 727, Epot=-2.342766e+05, Fnorm=2.811e+02, Fmax=1.701e+03 (atom 5338)
Step 728, Epot=-2.342800e+05, Fnorm=2.771e+02, Fmax=1.444e+03 (atom 2878)
Step 729, Epot=-2.342838e+05, Fnorm=2.764e+02, Fmax=1.621e+03 (atom 6010)
Step 730, Epot=-2.342872e+05, Fnorm=2.746e+02, Fmax=1.623e+03 (atom 6010)
Step 731, Epot=-2.342906e+05, Fnorm=2.831e+02, Fmax=1.579e+03 (atom 916)
Step 732, Epot=-2.342941e+05, Fnorm=2.838e+02, Fmax=1.874e+03 (atom 4498)
Step 733, Epot=-2.342974e+05, Fnorm=2.792e+02, Fmax=1.874e+03 (atom 4498)
Step 734, Epot=-2.343008e+05, Fnorm=2.766e+02, Fmax=1.609e+03 (atom 586)
Step 735, Epot=-2.343042e+05, Fnorm=2.809e+02, Fmax=1.618e+03 (atom 1684)
Step 736, Epot=-2.343076e+05, Fnorm=2.819e+02, Fmax=1.637e+03 (atom 1504)
Step 737, Epot=-2.343112e+05, Fnorm=2.783e+02, Fmax=2.042e+03 (atom 4564)
Step 738, Epot=-2.343151e+05, Fnorm=2.798e+02, Fmax=1.584e+03 (atom 6082)
Step 739, Epot=-2.343190e+05, Fnorm=2.802e+02, Fmax=1.421e+03 (atom 3202)
Step 740, Epot=-2.343232e+05, Fnorm=2.847e+02, Fmax=1.983e+03 (atom 3376)
Step 741, Epot=-2.343273e+05, Fnorm=2.836e+02, Fmax=1.524e+03 (atom 1636)
Step 742, Epot=-2.343318e+05, Fnorm=2.829e+02, Fmax=1.939e+03 (atom 5746)
Step 743, Epot=-2.343362e+05, Fnorm=2.794e+02, Fmax=1.631e+03 (atom 538)
Step 744, Epot=-2.343406e+05, Fnorm=2.820e+02, Fmax=1.836e+03 (atom 5944)
Step 745, Epot=-2.343448e+05, Fnorm=2.778e+02, Fmax=1.494e+03 (atom 3910)
Step 746, Epot=-2.343492e+05, Fnorm=2.765e+02, Fmax=1.653e+03 (atom 3442)
Step 747, Epot=-2.343537e+05, Fnorm=2.872e+02, Fmax=1.601e+03 (atom 3910)
Step 748, Epot=-2.343584e+05, Fnorm=2.843e+02, Fmax=2.184e+03 (atom 1972)
Step 749, Epot=-2.343630e+05, Fnorm=2.841e+02, Fmax=1.974e+03 (atom 1906)
Step 750, Epot=-2.343675e+05, Fnorm=2.777e+02, Fmax=1.789e+03 (atom 6082)
Step 751, Epot=-2.343719e+05, Fnorm=2.771e+02, Fmax=1.793e+03 (atom 6082)
Step 752, Epot=-2.343760e+05, Fnorm=2.782e+02, Fmax=1.478e+03 (atom 5356)
Step 753, Epot=-2.343805e+05, Fnorm=2.844e+02, Fmax=1.660e+03 (atom 598)
Step 754, Epot=-2.343851e+05, Fnorm=2.852e+02, Fmax=1.622e+03 (atom 3808)
Step 755, Epot=-2.343896e+05, Fnorm=2.804e+02, Fmax=1.600e+03 (atom 916)
Step 756, Epot=-2.343941e+05, Fnorm=2.785e+02, Fmax=1.774e+03 (atom 3574)
Step 757, Epot=-2.343985e+05, Fnorm=2.738e+02, Fmax=1.768e+03 (atom 3574)
Step 758, Epot=-2.344028e+05, Fnorm=2.774e+02, Fmax=1.835e+03 (atom 3520)
Step 759, Epot=-2.344069e+05, Fnorm=2.803e+02, Fmax=1.600e+03 (atom 3910)
Step 760, Epot=-2.344111e+05, Fnorm=2.790e+02, Fmax=1.600e+03 (atom 3910)
Step 761, Epot=-2.344154e+05, Fnorm=2.810e+02, Fmax=1.585e+03 (atom 2764)
Step 762, Epot=-2.344198e+05, Fnorm=2.864e+02, Fmax=1.600e+03 (atom 3808)
Step 763, Epot=-2.344241e+05, Fnorm=2.800e+02, Fmax=1.848e+03 (atom 1510)
Step 764, Epot=-2.344287e+05, Fnorm=2.702e+02, Fmax=1.515e+03 (atom 3898)
Step 765, Epot=-2.344330e+05, Fnorm=2.836e+02, Fmax=2.006e+03 (atom 4564)
Step 766, Epot=-2.344373e+05, Fnorm=2.742e+02, Fmax=1.475e+03 (atom 4168)
Step 767, Epot=-2.344417e+05, Fnorm=2.830e+02, Fmax=1.683e+03 (atom 3910)
Step 768, Epot=-2.344458e+05, Fnorm=2.846e+02, Fmax=1.584e+03 (atom 3910)
Step 769, Epot=-2.344501e+05, Fnorm=2.759e+02, Fmax=1.524e+03 (atom 1702)
Step 770, Epot=-2.344309e+05, Fnorm=2.824e+02, Fmax=1.988e+03 (atom 2194)
Step 771, Epot=-2.344350e+05, Fnorm=2.761e+02, Fmax=1.953e+03 (atom 4498)
Step 772, Epot=-2.344395e+05, Fnorm=2.814e+02, Fmax=1.769e+03 (atom 1708)
Step 773, Epot=-2.344442e+05, Fnorm=2.800e+02, Fmax=1.445e+03 (atom 5032)
Step 774, Epot=-2.344487e+05, Fnorm=2.829e+02, Fmax=1.631e+03 (atom 3826)
Step 775, Epot=-2.344533e+05, Fnorm=2.822e+02, Fmax=2.006e+03 (atom 1972)
Step 776, Epot=-2.344578e+05, Fnorm=2.785e+02, Fmax=2.025e+03 (atom 5482)
Step 777, Epot=-2.344621e+05, Fnorm=2.794e+02, Fmax=1.668e+03 (atom 4498)
Step 778, Epot=-2.344659e+05, Fnorm=2.742e+02, Fmax=2.134e+03 (atom 1510)
Step 779, Epot=-2.344702e+05, Fnorm=2.700e+02, Fmax=1.685e+03 (atom 5956)
Step 780, Epot=-2.344739e+05, Fnorm=2.803e+02, Fmax=1.504e+03 (atom 3034)
Step 781, Epot=-2.344775e+05, Fnorm=2.846e+02, Fmax=1.682e+03 (atom 1516)
Step 782, Epot=-2.344819e+05, Fnorm=2.803e+02, Fmax=1.668e+03 (atom 3310)
Step 783, Epot=-2.344857e+05, Fnorm=2.825e+02, Fmax=1.959e+03 (atom 2194)
Step 784, Epot=-2.344894e+05, Fnorm=2.779e+02, Fmax=1.781e+03 (atom 1510)
Step 785, Epot=-2.344936e+05, Fnorm=2.727e+02, Fmax=1.583e+03 (atom 3508)
Step 786, Epot=-2.344977e+05, Fnorm=2.798e+02, Fmax=2.002e+03 (atom 2770)
Step 787, Epot=-2.345017e+05, Fnorm=2.793e+02, Fmax=1.511e+03 (atom 5476)
Step 788, Epot=-2.345060e+05, Fnorm=2.807e+02, Fmax=1.611e+03 (atom 5878)
Step 789, Epot=-2.345098e+05, Fnorm=2.832e+02, Fmax=1.927e+03 (atom 5944)
Step 790, Epot=-2.345138e+05, Fnorm=2.821e+02, Fmax=1.661e+03 (atom 3310)
Step 791, Epot=-2.345178e+05, Fnorm=2.786e+02, Fmax=1.600e+03 (atom 1708)
Step 792, Epot=-2.345220e+05, Fnorm=2.760e+02, Fmax=1.535e+03 (atom 3034)
Step 793, Epot=-2.345263e+05, Fnorm=2.840e+02, Fmax=1.557e+03 (atom 6010)
Step 794, Epot=-2.345304e+05, Fnorm=2.804e+02, Fmax=2.025e+03 (atom 2770)
Step 795, Epot=-2.345348e+05, Fnorm=2.780e+02, Fmax=2.064e+03 (atom 3130)
Step 796, Epot=-2.345392e+05, Fnorm=2.723e+02, Fmax=1.637e+03 (atom 2836)
Step 797, Epot=-2.345432e+05, Fnorm=2.829e+02, Fmax=1.783e+03 (atom 5680)
Step 798, Epot=-2.345472e+05, Fnorm=2.843e+02, Fmax=1.852e+03 (atom 5944)
Step 799, Epot=-2.345518e+05, Fnorm=2.818e+02, Fmax=2.378e+03 (atom 5482)
Step 800, Epot=-2.345560e+05, Fnorm=2.822e+02, Fmax=2.076e+03 (atom 4330)
Step 801, Epot=-2.345601e+05, Fnorm=2.823e+02, Fmax=1.757e+03 (atom 1192)
Step 802, Epot=-2.345645e+05, Fnorm=2.818e+02, Fmax=1.571e+03 (atom 1192)
Step 803, Epot=-2.345695e+05, Fnorm=2.836e+02, Fmax=1.605e+03 (atom 586)
Step 804, Epot=-2.345737e+05, Fnorm=2.885e+02, Fmax=1.922e+03 (atom 5746)
Step 805, Epot=-2.345782e+05, Fnorm=2.772e+02, Fmax=1.580e+03 (atom 3940)
Step 806, Epot=-2.345826e+05, Fnorm=2.773e+02, Fmax=1.994e+03 (atom 4264)
Step 807, Epot=-2.345866e+05, Fnorm=2.759e+02, Fmax=1.462e+03 (atom 6082)
Step 808, Epot=-2.345908e+05, Fnorm=2.821e+02, Fmax=1.457e+03 (atom 3508)
Step 809, Epot=-2.345950e+05, Fnorm=2.741e+02, Fmax=1.412e+03 (atom 2974)
Step 810, Epot=-2.345992e+05, Fnorm=2.814e+02, Fmax=2.105e+03 (atom 4498)
Step 811, Epot=-2.346035e+05, Fnorm=2.831e+02, Fmax=1.599e+03 (atom 1510)
Step 812, Epot=-2.346077e+05, Fnorm=2.815e+02, Fmax=1.402e+03 (atom 2896)
Step 813, Epot=-2.346118e+05, Fnorm=2.730e+02, Fmax=1.405e+03 (atom 2044)
Step 814, Epot=-2.346156e+05, Fnorm=2.828e+02, Fmax=1.490e+03 (atom 2698)
Step 815, Epot=-2.346195e+05, Fnorm=2.809e+02, Fmax=1.556e+03 (atom 586)
Step 816, Epot=-2.346234e+05, Fnorm=2.774e+02, Fmax=1.728e+03 (atom 5218)
Step 817, Epot=-2.346270e+05, Fnorm=2.789e+02, Fmax=2.201e+03 (atom 2836)
Step 818, Epot=-2.346306e+05, Fnorm=2.767e+02, Fmax=1.508e+03 (atom 5890)
Step 819, Epot=-2.346344e+05, Fnorm=2.752e+02, Fmax=1.653e+03 (atom 3898)
Step 820, Epot=-2.346378e+05, Fnorm=2.813e+02, Fmax=1.950e+03 (atom 2194)
Step 821, Epot=-2.346415e+05, Fnorm=2.805e+02, Fmax=1.534e+03 (atom 1354)
Step 822, Epot=-2.346451e+05, Fnorm=2.803e+02, Fmax=1.662e+03 (atom 5482)
Step 823, Epot=-2.346485e+05, Fnorm=2.767e+02, Fmax=1.829e+03 (atom 6010)
Step 824, Epot=-2.346523e+05, Fnorm=2.826e+02, Fmax=1.626e+03 (atom 3310)
Step 825, Epot=-2.346558e+05, Fnorm=2.795e+02, Fmax=1.497e+03 (atom 1780)
Step 826, Epot=-2.346597e+05, Fnorm=2.801e+02, Fmax=1.945e+03 (atom 2194)
Step 827, Epot=-2.346632e+05, Fnorm=2.770e+02, Fmax=1.679e+03 (atom 3442)
Step 828, Epot=-2.346668e+05, Fnorm=2.777e+02, Fmax=1.609e+03 (atom 1510)
Step 829, Epot=-2.346704e+05, Fnorm=2.823e+02, Fmax=2.202e+03 (atom 3130)
Step 830, Epot=-2.346739e+05, Fnorm=2.727e+02, Fmax=1.553e+03 (atom 6112)
Step 831, Epot=-2.346773e+05, Fnorm=2.781e+02, Fmax=1.577e+03 (atom 922)
Step 832, Epot=-2.346807e+05, Fnorm=2.774e+02, Fmax=1.774e+03 (atom 5956)
Step 833, Epot=-2.346841e+05, Fnorm=2.756e+02, Fmax=1.885e+03 (atom 5944)
Step 834, Epot=-2.346873e+05, Fnorm=2.823e+02, Fmax=1.599e+03 (atom 3448)
Step 835, Epot=-2.346907e+05, Fnorm=2.710e+02, Fmax=1.315e+03 (atom 718)
Step 836, Epot=-2.346939e+05, Fnorm=2.795e+02, Fmax=1.775e+03 (atom 5878)
Step 837, Epot=-2.346971e+05, Fnorm=2.771e+02, Fmax=1.474e+03 (atom 3310)
Step 838, Epot=-2.347003e+05, Fnorm=2.751e+02, Fmax=1.398e+03 (atom 2680)
Step 839, Epot=-2.347035e+05, Fnorm=2.802e+02, Fmax=1.642e+03 (atom 5740)
Step 840, Epot=-2.347067e+05, Fnorm=2.790e+02, Fmax=1.742e+03 (atom 436)
Step 841, Epot=-2.347098e+05, Fnorm=2.798e+02, Fmax=2.054e+03 (atom 2968)
Step 842, Epot=-2.347128e+05, Fnorm=2.791e+02, Fmax=1.837e+03 (atom 370)
Step 843, Epot=-2.347158e+05, Fnorm=2.735e+02, Fmax=1.421e+03 (atom 4696)
Step 844, Epot=-2.347186e+05, Fnorm=2.728e+02, Fmax=1.533e+03 (atom 916)
Step 845, Epot=-2.347215e+05, Fnorm=2.724e+02, Fmax=1.690e+03 (atom 586)
Step 846, Epot=-2.347247e+05, Fnorm=2.851e+02, Fmax=1.894e+03 (atom 5482)
Step 847, Epot=-2.347275e+05, Fnorm=2.818e+02, Fmax=2.015e+03 (atom 3376)
Step 848, Epot=-2.347307e+05, Fnorm=2.792e+02, Fmax=1.724e+03 (atom 3442)
Step 849, Epot=-2.347342e+05, Fnorm=2.775e+02, Fmax=1.713e+03 (atom 670)
Step 850, Epot=-2.347374e+05, Fnorm=2.817e+02, Fmax=1.669e+03 (atom 5338)
Step 851, Epot=-2.347409e+05, Fnorm=2.769e+02, Fmax=1.656e+03 (atom 1510)
Step 852, Epot=-2.347444e+05, Fnorm=2.753e+02, Fmax=1.676e+03 (atom 2902)
Step 853, Epot=-2.347479e+05, Fnorm=2.796e+02, Fmax=1.968e+03 (atom 4264)
Step 854, Epot=-2.347513e+05, Fnorm=2.799e+02, Fmax=1.653e+03 (atom 586)
Step 855, Epot=-2.347547e+05, Fnorm=2.766e+02, Fmax=1.732e+03 (atom 5872)
Step 856, Epot=-2.347580e+05, Fnorm=2.784e+02, Fmax=1.386e+03 (atom 1330)
Step 857, Epot=-2.347613e+05, Fnorm=2.795e+02, Fmax=1.730e+03 (atom 5956)
Step 858, Epot=-2.347642e+05, Fnorm=2.742e+02, Fmax=1.645e+03 (atom 5608)
Step 859, Epot=-2.347672e+05, Fnorm=2.741e+02, Fmax=1.879e+03 (atom 2194)
Step 860, Epot=-2.347703e+05, Fnorm=2.829e+02, Fmax=1.718e+03 (atom 4030)
Step 861, Epot=-2.347730e+05, Fnorm=2.858e+02, Fmax=2.373e+03 (atom 2836)
Step 862, Epot=-2.347760e+05, Fnorm=2.769e+02, Fmax=2.371e+03 (atom 2836)
Step 863, Epot=-2.347792e+05, Fnorm=2.766e+02, Fmax=1.737e+03 (atom 1708)
Step 864, Epot=-2.347823e+05, Fnorm=2.829e+02, Fmax=1.565e+03 (atom 1774)
Step 865, Epot=-2.347853e+05, Fnorm=2.790e+02, Fmax=1.547e+03 (atom 5608)
Step 866, Epot=-2.347888e+05, Fnorm=2.790e+02, Fmax=2.132e+03 (atom 4030)
Step 867, Epot=-2.347919e+05, Fnorm=2.741e+02, Fmax=1.813e+03 (atom 664)
Step 868, Epot=-2.347948e+05, Fnorm=2.819e+02, Fmax=1.970e+03 (atom 4762)
Step 869, Epot=-2.347979e+05, Fnorm=2.798e+02, Fmax=1.630e+03 (atom 2836)
Step 870, Epot=-2.348012e+05, Fnorm=2.737e+02, Fmax=2.311e+03 (atom 5482)
Step 871, Epot=-2.348042e+05, Fnorm=2.799e+02, Fmax=1.570e+03 (atom 3508)
Step 872, Epot=-2.348072e+05, Fnorm=2.844e+02, Fmax=2.050e+03 (atom 1354)
Step 873, Epot=-2.348103e+05, Fnorm=2.778e+02, Fmax=2.000e+03 (atom 1972)
Step 874, Epot=-2.348131e+05, Fnorm=2.814e+02, Fmax=1.999e+03 (atom 4762)
Step 875, Epot=-2.348158e+05, Fnorm=2.835e+02, Fmax=1.998e+03 (atom 4762)
Step 876, Epot=-2.348185e+05, Fnorm=2.791e+02, Fmax=2.516e+03 (atom 2770)
Step 877, Epot=-2.348213e+05, Fnorm=2.753e+02, Fmax=1.555e+03 (atom 1516)
Step 878, Epot=-2.348241e+05, Fnorm=2.778e+02, Fmax=1.656e+03 (atom 3898)
Step 879, Epot=-2.348270e+05, Fnorm=2.812e+02, Fmax=1.707e+03 (atom 2878)
Step 880, Epot=-2.348301e+05, Fnorm=2.773e+02, Fmax=1.541e+03 (atom 4630)
Step 881, Epot=-2.348329e+05, Fnorm=2.754e+02, Fmax=1.540e+03 (atom 4630)
Step 882, Epot=-2.348357e+05, Fnorm=2.737e+02, Fmax=1.770e+03 (atom 370)
Step 883, Epot=-2.348382e+05, Fnorm=2.710e+02, Fmax=1.601e+03 (atom 5740)
Step 884, Epot=-2.348407e+05, Fnorm=2.738e+02, Fmax=1.492e+03 (atom 3310)
Step 885, Epot=-2.348434e+05, Fnorm=2.791e+02, Fmax=1.679e+03 (atom 436)
Step 886, Epot=-2.348460e+05, Fnorm=2.829e+02, Fmax=2.017e+03 (atom 4330)
Step 887, Epot=-2.348487e+05, Fnorm=2.812e+02, Fmax=1.618e+03 (atom 3910)
Step 888, Epot=-2.348512e+05, Fnorm=2.856e+02, Fmax=1.546e+03 (atom 5542)
Step 889, Epot=-2.348537e+05, Fnorm=2.752e+02, Fmax=1.580e+03 (atom 5740)
Step 890, Epot=-2.348562e+05, Fnorm=2.752e+02, Fmax=1.598e+03 (atom 5956)
Step 891, Epot=-2.348587e+05, Fnorm=2.771e+02, Fmax=1.522e+03 (atom 6082)
Step 892, Epot=-2.348612e+05, Fnorm=2.782e+02, Fmax=1.680e+03 (atom 5218)
Step 893, Epot=-2.348634e+05, Fnorm=2.906e+02, Fmax=1.723e+03 (atom 1708)
Step 894, Epot=-2.348658e+05, Fnorm=2.738e+02, Fmax=1.706e+03 (atom 2878)
Step 895, Epot=-2.348680e+05, Fnorm=2.730e+02, Fmax=1.578e+03 (atom 1402)
Step 896, Epot=-2.348700e+05, Fnorm=2.719e+02, Fmax=1.610e+03 (atom 4666)
Step 897, Epot=-2.348721e+05, Fnorm=2.779e+02, Fmax=1.780e+03 (atom 370)
Step 898, Epot=-2.348742e+05, Fnorm=2.812e+02, Fmax=2.249e+03 (atom 5746)
Step 899, Epot=-2.348764e+05, Fnorm=2.816e+02, Fmax=2.063e+03 (atom 2902)
Step 900, Epot=-2.348788e+05, Fnorm=2.763e+02, Fmax=1.712e+03 (atom 3826)
Step 901, Epot=-2.348813e+05, Fnorm=2.837e+02, Fmax=1.939e+03 (atom 3376)
Step 902, Epot=-2.348836e+05, Fnorm=2.787e+02, Fmax=1.712e+03 (atom 1192)
Step 903, Epot=-2.348859e+05, Fnorm=2.772e+02, Fmax=1.558e+03 (atom 6220)
Step 904, Epot=-2.348883e+05, Fnorm=2.806e+02, Fmax=1.853e+03 (atom 3898)
Step 905, Epot=-2.348907e+05, Fnorm=2.801e+02, Fmax=1.765e+03 (atom 6010)
Step 906, Epot=-2.348930e+05, Fnorm=2.730e+02, Fmax=1.754e+03 (atom 1354)
Step 907, Epot=-2.348954e+05, Fnorm=2.783e+02, Fmax=1.733e+03 (atom 5608)
Step 908, Epot=-2.348977e+05, Fnorm=2.786e+02, Fmax=2.028e+03 (atom 4030)
Step 909, Epot=-2.348999e+05, Fnorm=2.714e+02, Fmax=1.645e+03 (atom 1768)
Step 910, Epot=-2.349021e+05, Fnorm=2.760e+02, Fmax=1.596e+03 (atom 2836)
Step 911, Epot=-2.349044e+05, Fnorm=2.773e+02, Fmax=1.595e+03 (atom 2836)
Step 912, Epot=-2.349068e+05, Fnorm=2.810e+02, Fmax=2.013e+03 (atom 3196)
Step 913, Epot=-2.349092e+05, Fnorm=2.803e+02, Fmax=1.778e+03 (atom 5878)
Step 914, Epot=-2.349116e+05, Fnorm=2.769e+02, Fmax=1.779e+03 (atom 5878)
Step 915, Epot=-2.349140e+05, Fnorm=2.746e+02, Fmax=1.681e+03 (atom 994)
Step 916, Epot=-2.349167e+05, Fnorm=2.792e+02, Fmax=1.629e+03 (atom 5230)
Step 917, Epot=-2.349193e+05, Fnorm=2.815e+02, Fmax=1.478e+03 (atom 5686)
Step 918, Epot=-2.349219e+05, Fnorm=2.789e+02, Fmax=1.936e+03 (atom 3376)
Step 919, Epot=-2.349246e+05, Fnorm=2.820e+02, Fmax=2.370e+03 (atom 2770)
Step 920, Epot=-2.349272e+05, Fnorm=2.844e+02, Fmax=2.268e+03 (atom 3130)
Step 921, Epot=-2.349300e+05, Fnorm=2.799e+02, Fmax=1.780e+03 (atom 1708)
Step 922, Epot=-2.349327e+05, Fnorm=2.779e+02, Fmax=1.671e+03 (atom 5746)
Step 923, Epot=-2.349353e+05, Fnorm=2.756e+02, Fmax=1.653e+03 (atom 5230)
Step 924, Epot=-2.349379e+05, Fnorm=2.777e+02, Fmax=1.666e+03 (atom 3898)
Step 925, Epot=-2.349406e+05, Fnorm=2.806e+02, Fmax=1.793e+03 (atom 5218)
Step 926, Epot=-2.349434e+05, Fnorm=2.786e+02, Fmax=1.635e+03 (atom 586)
Step 927, Epot=-2.349461e+05, Fnorm=2.809e+02, Fmax=1.676e+03 (atom 994)
Step 928, Epot=-2.349491e+05, Fnorm=2.817e+02, Fmax=1.698e+03 (atom 586)
Step 929, Epot=-2.349521e+05, Fnorm=2.794e+02, Fmax=1.598e+03 (atom 1642)
Step 930, Epot=-2.349548e+05, Fnorm=2.777e+02, Fmax=1.542e+03 (atom 922)
Step 931, Epot=-2.349576e+05, Fnorm=2.705e+02, Fmax=1.806e+03 (atom 5878)
Step 932, Epot=-2.349604e+05, Fnorm=2.750e+02, Fmax=1.813e+03 (atom 5218)
Step 933, Epot=-2.349631e+05, Fnorm=2.789e+02, Fmax=2.068e+03 (atom 1972)
Step 934, Epot=-2.349657e+05, Fnorm=2.789e+02, Fmax=1.712e+03 (atom 1516)
Step 935, Epot=-2.349684e+05, Fnorm=2.759e+02, Fmax=1.829e+03 (atom 370)
Step 936, Epot=-2.349709e+05, Fnorm=2.751e+02, Fmax=1.978e+03 (atom 2194)
Step 937, Epot=-2.349733e+05, Fnorm=2.749e+02, Fmax=1.702e+03 (atom 1768)
Step 938, Epot=-2.349758e+05, Fnorm=2.814e+02, Fmax=1.700e+03 (atom 5218)
Step 939, Epot=-2.349784e+05, Fnorm=2.777e+02, Fmax=1.748e+03 (atom 5956)
Step 940, Epot=-2.349809e+05, Fnorm=2.776e+02, Fmax=2.129e+03 (atom 4030)
Step 941, Epot=-2.349833e+05, Fnorm=2.770e+02, Fmax=1.671e+03 (atom 4030)
Step 942, Epot=-2.349858e+05, Fnorm=2.785e+02, Fmax=1.729e+03 (atom 2770)
Step 943, Epot=-2.349882e+05, Fnorm=2.807e+02, Fmax=1.513e+03 (atom 1774)
Step 944, Epot=-2.349905e+05, Fnorm=2.791e+02, Fmax=1.627e+03 (atom 3442)
Step 945, Epot=-2.349929e+05, Fnorm=2.801e+02, Fmax=1.555e+03 (atom 3508)
Step 946, Epot=-2.349951e+05, Fnorm=2.802e+02, Fmax=1.807e+03 (atom 5878)
Step 947, Epot=-2.349975e+05, Fnorm=2.801e+02, Fmax=1.508e+03 (atom 5938)
Step 948, Epot=-2.350001e+05, Fnorm=2.836e+02, Fmax=1.623e+03 (atom 5680)
Step 949, Epot=-2.350027e+05, Fnorm=2.853e+02, Fmax=1.641e+03 (atom 2044)
Step 950, Epot=-2.350053e+05, Fnorm=2.888e+02, Fmax=1.581e+03 (atom 2668)
Step 951, Epot=-2.350079e+05, Fnorm=2.825e+02, Fmax=1.567e+03 (atom 1402)
Step 952, Epot=-2.350105e+05, Fnorm=2.762e+02, Fmax=2.314e+03 (atom 5482)
Step 953, Epot=-2.350131e+05, Fnorm=2.829e+02, Fmax=1.525e+03 (atom 5608)
Step 954, Epot=-2.350158e+05, Fnorm=2.810e+02, Fmax=1.681e+03 (atom 5956)
Step 955, Epot=-2.350185e+05, Fnorm=2.810e+02, Fmax=1.606e+03 (atom 1090)
Step 956, Epot=-2.350214e+05, Fnorm=2.824e+02, Fmax=1.804e+03 (atom 1768)
Step 957, Epot=-2.350242e+05, Fnorm=2.851e+02, Fmax=1.674e+03 (atom 3520)
Step 958, Epot=-2.350271e+05, Fnorm=2.777e+02, Fmax=1.553e+03 (atom 2044)
Step 959, Epot=-2.350301e+05, Fnorm=2.809e+02, Fmax=1.683e+03 (atom 3442)
Step 960, Epot=-2.350330e+05, Fnorm=2.812e+02, Fmax=1.587e+03 (atom 664)
Step 961, Epot=-2.350359e+05, Fnorm=2.787e+02, Fmax=1.553e+03 (atom 3838)
Step 962, Epot=-2.350391e+05, Fnorm=2.804e+02, Fmax=1.576e+03 (atom 5608)
Step 963, Epot=-2.350421e+05, Fnorm=2.850e+02, Fmax=1.610e+03 (atom 3826)
Step 964, Epot=-2.350451e+05, Fnorm=2.789e+02, Fmax=1.404e+03 (atom 3310)
Step 965, Epot=-2.350483e+05, Fnorm=2.750e+02, Fmax=2.265e+03 (atom 5746)
Step 966, Epot=-2.350514e+05, Fnorm=2.726e+02, Fmax=1.424e+03 (atom 1090)
Step 967, Epot=-2.350546e+05, Fnorm=2.791e+02, Fmax=1.468e+03 (atom 3574)
Step 968, Epot=-2.350577e+05, Fnorm=2.877e+02, Fmax=1.994e+03 (atom 3376)
Step 969, Epot=-2.350610e+05, Fnorm=2.789e+02, Fmax=2.118e+03 (atom 1906)
Step 970, Epot=-2.350642e+05, Fnorm=2.793e+02, Fmax=1.894e+03 (atom 1972)
Step 971, Epot=-2.350674e+05, Fnorm=2.815e+02, Fmax=2.263e+03 (atom 3310)
Step 972, Epot=-2.350703e+05, Fnorm=2.864e+02, Fmax=1.856e+03 (atom 1708)
Step 973, Epot=-2.350733e+05, Fnorm=2.811e+02, Fmax=1.924e+03 (atom 2194)
Step 974, Epot=-2.350760e+05, Fnorm=2.772e+02, Fmax=1.893e+03 (atom 3898)
Step 975, Epot=-2.350789e+05, Fnorm=2.761e+02, Fmax=1.891e+03 (atom 3898)
Step 976, Epot=-2.350816e+05, Fnorm=2.799e+02, Fmax=1.979e+03 (atom 2902)
Step 977, Epot=-2.350849e+05, Fnorm=2.791e+02, Fmax=1.591e+03 (atom 5626)
Step 978, Epot=-2.350880e+05, Fnorm=2.842e+02, Fmax=1.629e+03 (atom 2836)
Step 979, Epot=-2.350912e+05, Fnorm=2.848e+02, Fmax=1.632e+03 (atom 2836)
Step 980, Epot=-2.350945e+05, Fnorm=2.808e+02, Fmax=1.600e+03 (atom 1258)
Step 981, Epot=-2.350978e+05, Fnorm=2.763e+02, Fmax=2.220e+03 (atom 4498)
Step 982, Epot=-2.351011e+05, Fnorm=2.799e+02, Fmax=1.681e+03 (atom 3442)
Step 983, Epot=-2.351041e+05, Fnorm=2.856e+02, Fmax=1.972e+03 (atom 3196)
Step 984, Epot=-2.351072e+05, Fnorm=2.808e+02, Fmax=2.446e+03 (atom 5878)
Step 985, Epot=-2.351102e+05, Fnorm=2.791e+02, Fmax=2.327e+03 (atom 3130)
Step 986, Epot=-2.351131e+05, Fnorm=2.817e+02, Fmax=2.211e+03 (atom 4498)
Step 987, Epot=-2.351164e+05, Fnorm=2.754e+02, Fmax=1.596e+03 (atom 586)
Step 988, Epot=-2.351198e+05, Fnorm=2.782e+02, Fmax=1.445e+03 (atom 6082)
Step 989, Epot=-2.351226e+05, Fnorm=2.806e+02, Fmax=1.936e+03 (atom 2194)
Step 990, Epot=-2.351258e+05, Fnorm=2.786e+02, Fmax=1.618e+03 (atom 3910)
Step 991, Epot=-2.351290e+05, Fnorm=2.766e+02, Fmax=1.830e+03 (atom 370)
Step 992, Epot=-2.351323e+05, Fnorm=2.779e+02, Fmax=1.539e+03 (atom 4630)
Step 993, Epot=-2.351355e+05, Fnorm=2.839e+02, Fmax=1.471e+03 (atom 2044)
Step 994, Epot=-2.351386e+05, Fnorm=2.919e+02, Fmax=1.930e+03 (atom 3376)
Step 995, Epot=-2.351421e+05, Fnorm=2.825e+02, Fmax=1.713e+03 (atom 1768)
Step 996, Epot=-2.351456e+05, Fnorm=2.778e+02, Fmax=1.710e+03 (atom 1768)
Step 997, Epot=-2.351490e+05, Fnorm=2.821e+02, Fmax=1.723e+03 (atom 3310)
Step 998, Epot=-2.351523e+05, Fnorm=2.820e+02, Fmax=1.672e+03 (atom 370)
Step 999, Epot=-2.351557e+05, Fnorm=2.801e+02, Fmax=1.683e+03 (atom 3826)
Step 1000, Epot=-2.351592e+05, Fnorm=2.781e+02, Fmax=1.473e+03 (atom 6010)
Step 1001, Epot=-2.351624e+05, Fnorm=2.871e+02, Fmax=1.548e+03 (atom 922)
Step 1002, Epot=-2.351657e+05, Fnorm=2.791e+02, Fmax=1.944e+03 (atom 2194)
Step 1003, Epot=-2.351686e+05, Fnorm=2.853e+02, Fmax=1.600e+03 (atom 994)
Step 1004, Epot=-2.351715e+05, Fnorm=2.822e+02, Fmax=1.882e+03 (atom 2770)
Step 1005, Epot=-2.351745e+05, Fnorm=2.837e+02, Fmax=1.992e+03 (atom 1972)
Step 1006, Epot=-2.351775e+05, Fnorm=2.789e+02, Fmax=1.749e+03 (atom 5890)
Step 1007, Epot=-2.351802e+05, Fnorm=2.808e+02, Fmax=1.564e+03 (atom 4642)
Step 1008, Epot=-2.351831e+05, Fnorm=2.748e+02, Fmax=1.498e+03 (atom 5476)
Step 1009, Epot=-2.351860e+05, Fnorm=2.735e+02, Fmax=1.788e+03 (atom 5878)
Step 1010, Epot=-2.351889e+05, Fnorm=2.763e+02, Fmax=1.626e+03 (atom 586)
Step 1011, Epot=-2.351919e+05, Fnorm=2.782e+02, Fmax=2.312e+03 (atom 5746)
Step 1012, Epot=-2.351948e+05, Fnorm=2.851e+02, Fmax=2.219e+03 (atom 3310)
Step 1013, Epot=-2.351978e+05, Fnorm=2.780e+02, Fmax=1.916e+03 (atom 2770)
Step 1014, Epot=-2.352050e+05, Fnorm=2.796e+02, Fmax=1.521e+03 (atom 1774)
Step 1015, Epot=-2.352078e+05, Fnorm=2.772e+02, Fmax=1.705e+03 (atom 6010)
Step 1016, Epot=-2.352104e+05, Fnorm=2.864e+02, Fmax=1.623e+03 (atom 586)
Step 1017, Epot=-2.352128e+05, Fnorm=2.777e+02, Fmax=1.537e+03 (atom 4630)
Step 1018, Epot=-2.352155e+05, Fnorm=2.707e+02, Fmax=1.594e+03 (atom 5494)
Step 1019, Epot=-2.352180e+05, Fnorm=2.806e+02, Fmax=2.011e+03 (atom 1906)
Step 1020, Epot=-2.352204e+05, Fnorm=2.844e+02, Fmax=1.715e+03 (atom 2836)
Step 1021, Epot=-2.352229e+05, Fnorm=2.800e+02, Fmax=1.794e+03 (atom 370)
Step 1022, Epot=-2.352254e+05, Fnorm=2.791e+02, Fmax=1.755e+03 (atom 1774)
Step 1023, Epot=-2.352280e+05, Fnorm=2.794e+02, Fmax=2.004e+03 (atom 3376)
Step 1024, Epot=-2.352304e+05, Fnorm=2.847e+02, Fmax=1.536e+03 (atom 454)
Step 1025, Epot=-2.352331e+05, Fnorm=2.822e+02, Fmax=1.767e+03 (atom 436)
Step 1026, Epot=-2.352356e+05, Fnorm=2.795e+02, Fmax=1.673e+03 (atom 3310)
Step 1027, Epot=-2.352382e+05, Fnorm=2.808e+02, Fmax=1.801e+03 (atom 370)
Step 1028, Epot=-2.352408e+05, Fnorm=2.846e+02, Fmax=1.655e+03 (atom 5956)
Step 1029, Epot=-2.352434e+05, Fnorm=2.882e+02, Fmax=1.792e+03 (atom 2770)
Step 1030, Epot=-2.352461e+05, Fnorm=2.827e+02, Fmax=1.541e+03 (atom 2044)
Step 1031, Epot=-2.352487e+05, Fnorm=2.829e+02, Fmax=1.492e+03 (atom 4264)
Step 1032, Epot=-2.352514e+05, Fnorm=2.793e+02, Fmax=1.648e+03 (atom 5428)
Step 1033, Epot=-2.352540e+05, Fnorm=2.777e+02, Fmax=1.589e+03 (atom 1708)
Step 1034, Epot=-2.352568e+05, Fnorm=2.761e+02, Fmax=1.996e+03 (atom 3376)
Step 1035, Epot=-2.352594e+05, Fnorm=2.831e+02, Fmax=1.891e+03 (atom 4762)
Step 1036, Epot=-2.352618e+05, Fnorm=2.758e+02, Fmax=1.457e+03 (atom 1486)
Step 1037, Epot=-2.352644e+05, Fnorm=2.725e+02, Fmax=1.512e+03 (atom 3508)
Step 1038, Epot=-2.352668e+05, Fnorm=2.756e+02, Fmax=1.648e+03 (atom 3940)
Step 1039, Epot=-2.352691e+05, Fnorm=2.746e+02, Fmax=1.646e+03 (atom 2044)
Step 1040, Epot=-2.352715e+05, Fnorm=2.808e+02, Fmax=1.766e+03 (atom 5758)
Step 1041, Epot=-2.352738e+05, Fnorm=2.802e+02, Fmax=1.802e+03 (atom 436)
Step 1042, Epot=-2.352766e+05, Fnorm=2.808e+02, Fmax=2.023e+03 (atom 922)
Step 1043, Epot=-2.352791e+05, Fnorm=2.813e+02, Fmax=2.043e+03 (atom 4564)
Step 1044, Epot=-2.352818e+05, Fnorm=2.805e+02, Fmax=1.697e+03 (atom 4498)
Step 1045, Epot=-2.352842e+05, Fnorm=2.786e+02, Fmax=1.691e+03 (atom 4498)
Step 1046, Epot=-2.352868e+05, Fnorm=2.766e+02, Fmax=1.531e+03 (atom 3508)
Step 1047, Epot=-2.352893e+05, Fnorm=2.747e+02, Fmax=1.642e+03 (atom 2044)
Step 1048, Epot=-2.352918e+05, Fnorm=2.826e+02, Fmax=1.720e+03 (atom 3130)
Step 1049, Epot=-2.352947e+05, Fnorm=2.824e+02, Fmax=2.388e+03 (atom 5482)
Step 1050, Epot=-2.352975e+05, Fnorm=2.877e+02, Fmax=2.545e+03 (atom 1510)
Step 1051, Epot=-2.353002e+05, Fnorm=2.865e+02, Fmax=1.693e+03 (atom 6010)
Step 1052, Epot=-2.353028e+05, Fnorm=2.808e+02, Fmax=1.525e+03 (atom 6160)
Step 1053, Epot=-2.353053e+05, Fnorm=2.734e+02, Fmax=1.814e+03 (atom 436)
Step 1054, Epot=-2.353076e+05, Fnorm=2.791e+02, Fmax=1.621e+03 (atom 862)
Step 1055, Epot=-2.353101e+05, Fnorm=2.815e+02, Fmax=1.624e+03 (atom 862)
Step 1056, Epot=-2.353126e+05, Fnorm=2.771e+02, Fmax=1.623e+03 (atom 862)
Step 1057, Epot=-2.353149e+05, Fnorm=2.857e+02, Fmax=1.918e+03 (atom 4762)
Step 1058, Epot=-2.353171e+05, Fnorm=2.829e+02, Fmax=1.465e+03 (atom 5938)
Step 1059, Epot=-2.353193e+05, Fnorm=2.783e+02, Fmax=1.612e+03 (atom 4642)
Step 1060, Epot=-2.353218e+05, Fnorm=2.728e+02, Fmax=1.917e+03 (atom 3376)
Step 1061, Epot=-2.353242e+05, Fnorm=2.778e+02, Fmax=1.508e+03 (atom 5032)
Step 1062, Epot=-2.353266e+05, Fnorm=2.817e+02, Fmax=2.061e+03 (atom 4498)
Step 1063, Epot=-2.353290e+05, Fnorm=2.800e+02, Fmax=1.546e+03 (atom 3838)
Step 1064, Epot=-2.353311e+05, Fnorm=2.761e+02, Fmax=2.244e+03 (atom 3310)
Step 1065, Epot=-2.353333e+05, Fnorm=2.732e+02, Fmax=1.532e+03 (atom 1504)
Step 1066, Epot=-2.353356e+05, Fnorm=2.819e+02, Fmax=1.817e+03 (atom 1510)
Step 1067, Epot=-2.353380e+05, Fnorm=2.840e+02, Fmax=1.555e+03 (atom 1774)
Step 1068, Epot=-2.353404e+05, Fnorm=2.862e+02, Fmax=1.558e+03 (atom 3910)
Step 1069, Epot=-2.353428e+05, Fnorm=2.787e+02, Fmax=1.558e+03 (atom 3910)
Step 1070, Epot=-2.353452e+05, Fnorm=2.789e+02, Fmax=1.461e+03 (atom 4696)
Step 1071, Epot=-2.353475e+05, Fnorm=2.844e+02, Fmax=1.642e+03 (atom 5278)
Step 1072, Epot=-2.353498e+05, Fnorm=2.835e+02, Fmax=1.762e+03 (atom 5878)
Step 1073, Epot=-2.353523e+05, Fnorm=2.833e+02, Fmax=2.313e+03 (atom 5482)
Step 1074, Epot=-2.353550e+05, Fnorm=2.854e+02, Fmax=2.007e+03 (atom 4030)
Step 1075, Epot=-2.353574e+05, Fnorm=2.879e+02, Fmax=1.972e+03 (atom 1972)
Step 1076, Epot=-2.353599e+05, Fnorm=2.792e+02, Fmax=1.781e+03 (atom 5284)
Step 1077, Epot=-2.353626e+05, Fnorm=2.738e+02, Fmax=1.473e+03 (atom 5230)
Step 1078, Epot=-2.353649e+05, Fnorm=2.713e+02, Fmax=1.280e+03 (atom 1840)
Step 1079, Epot=-2.353672e+05, Fnorm=2.725e+02, Fmax=1.537e+03 (atom 5938)
Step 1080, Epot=-2.353697e+05, Fnorm=2.700e+02, Fmax=1.516e+03 (atom 1516)
Step 1081, Epot=-2.353720e+05, Fnorm=2.856e+02, Fmax=1.819e+03 (atom 2770)
Step 1082, Epot=-2.353745e+05, Fnorm=2.845e+02, Fmax=2.041e+03 (atom 1906)
Step 1083, Epot=-2.353766e+05, Fnorm=2.766e+02, Fmax=1.567e+03 (atom 5740)
Step 1084, Epot=-2.353789e+05, Fnorm=2.668e+02, Fmax=1.462e+03 (atom 4696)
Step 1085, Epot=-2.353810e+05, Fnorm=2.764e+02, Fmax=1.549e+03 (atom 2698)
Step 1086, Epot=-2.353830e+05, Fnorm=2.762e+02, Fmax=1.693e+03 (atom 3826)
Step 1087, Epot=-2.353852e+05, Fnorm=2.799e+02, Fmax=1.747e+03 (atom 3310)
Step 1088, Epot=-2.353874e+05, Fnorm=2.793e+02, Fmax=1.441e+03 (atom 1090)
Step 1089, Epot=-2.353896e+05, Fnorm=2.793e+02, Fmax=1.375e+03 (atom 6124)
Step 1090, Epot=-2.353921e+05, Fnorm=2.805e+02, Fmax=1.600e+03 (atom 5278)
Step 1091, Epot=-2.353943e+05, Fnorm=2.764e+02, Fmax=1.582e+03 (atom 3508)
Step 1092, Epot=-2.353966e+05, Fnorm=2.760e+02, Fmax=1.662e+03 (atom 5758)
Step 1093, Epot=-2.353991e+05, Fnorm=2.803e+02, Fmax=1.792e+03 (atom 6010)
Step 1094, Epot=-2.354013e+05, Fnorm=2.853e+02, Fmax=1.771e+03 (atom 436)
Step 1095, Epot=-2.354036e+05, Fnorm=2.855e+02, Fmax=1.760e+03 (atom 436)
Step 1096, Epot=-2.354060e+05, Fnorm=2.757e+02, Fmax=1.662e+03 (atom 3442)
Step 1097, Epot=-2.354081e+05, Fnorm=2.835e+02, Fmax=2.047e+03 (atom 2194)
Step 1098, Epot=-2.354104e+05, Fnorm=2.773e+02, Fmax=2.037e+03 (atom 4498)
Step 1099, Epot=-2.354125e+05, Fnorm=2.812e+02, Fmax=1.584e+03 (atom 4996)
Step 1100, Epot=-2.354148e+05, Fnorm=2.789e+02, Fmax=1.808e+03 (atom 5218)
Step 1101, Epot=-2.354169e+05, Fnorm=2.775e+02, Fmax=1.535e+03 (atom 5476)
Step 1102, Epot=-2.354190e+05, Fnorm=2.811e+02, Fmax=1.548e+03 (atom 6082)
Step 1103, Epot=-2.354212e+05, Fnorm=2.748e+02, Fmax=1.522e+03 (atom 2044)
Step 1104, Epot=-2.354233e+05, Fnorm=2.822e+02, Fmax=1.989e+03 (atom 1906)
Step 1105, Epot=-2.354254e+05, Fnorm=2.783e+02, Fmax=1.665e+03 (atom 5746)
Step 1106, Epot=-2.354276e+05, Fnorm=2.823e+02, Fmax=1.627e+03 (atom 538)
Step 1107, Epot=-2.354299e+05, Fnorm=2.757e+02, Fmax=1.710e+03 (atom 1768)
Step 1108, Epot=-2.354321e+05, Fnorm=2.817e+02, Fmax=1.916e+03 (atom 4762)
Step 1109, Epot=-2.354344e+05, Fnorm=2.778e+02, Fmax=1.574e+03 (atom 1258)
Step 1110, Epot=-2.354367e+05, Fnorm=2.726e+02, Fmax=1.485e+03 (atom 5152)
Step 1111, Epot=-2.354388e+05, Fnorm=2.765e+02, Fmax=1.627e+03 (atom 3826)
Step 1112, Epot=-2.354408e+05, Fnorm=2.834e+02, Fmax=1.860e+03 (atom 5218)
Step 1113, Epot=-2.354429e+05, Fnorm=2.830e+02, Fmax=1.708e+03 (atom 5890)
Step 1114, Epot=-2.354452e+05, Fnorm=2.743e+02, Fmax=1.492e+03 (atom 3130)
Step 1115, Epot=-2.354474e+05, Fnorm=2.917e+02, Fmax=1.638e+03 (atom 370)
Step 1116, Epot=-2.354495e+05, Fnorm=2.826e+02, Fmax=2.230e+03 (atom 3310)
Step 1117, Epot=-2.354519e+05, Fnorm=2.769e+02, Fmax=1.709e+03 (atom 5878)
Step 1118, Epot=-2.354542e+05, Fnorm=2.814e+02, Fmax=1.617e+03 (atom 5938)
Step 1119, Epot=-2.354563e+05, Fnorm=2.847e+02, Fmax=1.521e+03 (atom 5284)
Step 1120, Epot=-2.354588e+05, Fnorm=2.793e+02, Fmax=2.056e+03 (atom 922)
Step 1121, Epot=-2.354612e+05, Fnorm=2.817e+02, Fmax=1.594e+03 (atom 1132)
Step 1122, Epot=-2.354634e+05, Fnorm=2.867e+02, Fmax=1.668e+03 (atom 1402)
Step 1123, Epot=-2.354660e+05, Fnorm=2.780e+02, Fmax=1.664e+03 (atom 1402)
Step 1124, Epot=-2.354685e+05, Fnorm=2.817e+02, Fmax=1.587e+03 (atom 3442)
Step 1125, Epot=-2.354709e+05, Fnorm=2.773e+02, Fmax=1.625e+03 (atom 5680)
Step 1126, Epot=-2.354732e+05, Fnorm=2.739e+02, Fmax=1.532e+03 (atom 1504)
Step 1127, Epot=-2.354752e+05, Fnorm=2.763e+02, Fmax=1.528e+03 (atom 1504)
Step 1128, Epot=-2.354777e+05, Fnorm=2.790e+02, Fmax=1.504e+03 (atom 2710)
Step 1129, Epot=-2.354797e+05, Fnorm=2.767e+02, Fmax=2.106e+03 (atom 2836)
Step 1130, Epot=-2.354818e+05, Fnorm=2.738e+02, Fmax=2.105e+03 (atom 2836)
Step 1131, Epot=-2.354839e+05, Fnorm=2.713e+02, Fmax=1.525e+03 (atom 3310)
Step 1132, Epot=-2.354862e+05, Fnorm=2.761e+02, Fmax=1.355e+03 (atom 388)
Step 1133, Epot=-2.354884e+05, Fnorm=2.779e+02, Fmax=1.816e+03 (atom 436)
Step 1134, Epot=-2.354907e+05, Fnorm=2.806e+02, Fmax=1.725e+03 (atom 5746)
Step 1135, Epot=-2.354928e+05, Fnorm=2.826e+02, Fmax=1.664e+03 (atom 1126)
Step 1136, Epot=-2.354948e+05, Fnorm=2.778e+02, Fmax=2.102e+03 (atom 2968)
Step 1137, Epot=-2.354971e+05, Fnorm=2.821e+02, Fmax=2.121e+03 (atom 4498)
Step 1138, Epot=-2.354994e+05, Fnorm=2.791e+02, Fmax=1.709e+03 (atom 4498)
Step 1139, Epot=-2.355018e+05, Fnorm=2.832e+02, Fmax=2.030e+03 (atom 2902)
Step 1140, Epot=-2.355041e+05, Fnorm=2.826e+02, Fmax=1.991e+03 (atom 2194)
Step 1141, Epot=-2.355064e+05, Fnorm=2.776e+02, Fmax=1.777e+03 (atom 3520)
Step 1142, Epot=-2.355084e+05, Fnorm=2.721e+02, Fmax=1.942e+03 (atom 3376)
Step 1143, Epot=-2.355105e+05, Fnorm=2.696e+02, Fmax=1.669e+03 (atom 1516)
Step 1144, Epot=-2.355123e+05, Fnorm=2.773e+02, Fmax=1.582e+03 (atom 1708)
Step 1145, Epot=-2.355141e+05, Fnorm=2.782e+02, Fmax=1.758e+03 (atom 5878)
Step 1146, Epot=-2.355161e+05, Fnorm=2.814e+02, Fmax=1.761e+03 (atom 5878)
Step 1147, Epot=-2.355179e+05, Fnorm=2.827e+02, Fmax=1.882e+03 (atom 6226)
Step 1148, Epot=-2.355198e+05, Fnorm=2.846e+02, Fmax=1.986e+03 (atom 5746)
Step 1149, Epot=-2.355219e+05, Fnorm=2.774e+02, Fmax=1.598e+03 (atom 3574)
Step 1150, Epot=-2.355240e+05, Fnorm=2.785e+02, Fmax=1.723e+03 (atom 5890)
Step 1151, Epot=-2.355259e+05, Fnorm=2.818e+02, Fmax=1.597e+03 (atom 5476)
Step 1152, Epot=-2.355279e+05, Fnorm=2.850e+02, Fmax=2.015e+03 (atom 4564)
Step 1153, Epot=-2.355298e+05, Fnorm=2.787e+02, Fmax=1.767e+03 (atom 1768)
Step 1154, Epot=-2.355317e+05, Fnorm=2.769e+02, Fmax=1.563e+03 (atom 586)
Step 1155, Epot=-2.355336e+05, Fnorm=2.785e+02, Fmax=1.522e+03 (atom 1486)
Step 1156, Epot=-2.355355e+05, Fnorm=2.838e+02, Fmax=1.615e+03 (atom 370)
Step 1157, Epot=-2.355374e+05, Fnorm=2.846e+02, Fmax=1.999e+03 (atom 1972)
Step 1158, Epot=-2.355393e+05, Fnorm=2.785e+02, Fmax=2.002e+03 (atom 1972)
Step 1159, Epot=-2.355413e+05, Fnorm=2.786e+02, Fmax=1.503e+03 (atom 3382)
Step 1160, Epot=-2.355432e+05, Fnorm=2.792e+02, Fmax=1.621e+03 (atom 5608)
Step 1161, Epot=-2.355451e+05, Fnorm=2.772e+02, Fmax=1.769e+03 (atom 1768)
Step 1162, Epot=-2.355432e+05, Fnorm=2.819e+02, Fmax=1.850e+03 (atom 1768)
Step 1163, Epot=-2.355453e+05, Fnorm=2.885e+02, Fmax=2.123e+03 (atom 5878)
Step 1164, Epot=-2.355475e+05, Fnorm=2.813e+02, Fmax=1.450e+03 (atom 1636)
Step 1165, Epot=-2.355497e+05, Fnorm=2.753e+02, Fmax=1.969e+03 (atom 3376)
Step 1166, Epot=-2.355520e+05, Fnorm=2.730e+02, Fmax=1.612e+03 (atom 1258)
Step 1167, Epot=-2.355542e+05, Fnorm=2.806e+02, Fmax=1.879e+03 (atom 4762)
Step 1168, Epot=-2.355564e+05, Fnorm=2.793e+02, Fmax=1.809e+03 (atom 5692)
Step 1169, Epot=-2.355586e+05, Fnorm=2.788e+02, Fmax=1.737e+03 (atom 5746)
Step 1170, Epot=-2.355608e+05, Fnorm=2.800e+02, Fmax=1.995e+03 (atom 4564)
Step 1171, Epot=-2.355628e+05, Fnorm=2.763e+02, Fmax=1.423e+03 (atom 1258)
Step 1172, Epot=-2.355650e+05, Fnorm=2.741e+02, Fmax=1.446e+03 (atom 3310)
Step 1173, Epot=-2.355670e+05, Fnorm=2.785e+02, Fmax=1.587e+03 (atom 4630)
Step 1174, Epot=-2.355690e+05, Fnorm=2.799e+02, Fmax=1.777e+03 (atom 1192)
Step 1175, Epot=-2.355710e+05, Fnorm=2.821e+02, Fmax=1.778e+03 (atom 1510)
Step 1176, Epot=-2.355730e+05, Fnorm=2.755e+02, Fmax=2.016e+03 (atom 4498)
Step 1177, Epot=-2.355751e+05, Fnorm=2.778e+02, Fmax=1.631e+03 (atom 5608)
Step 1178, Epot=-2.355770e+05, Fnorm=2.739e+02, Fmax=1.611e+03 (atom 2392)
Step 1179, Epot=-2.355790e+05, Fnorm=2.740e+02, Fmax=1.715e+03 (atom 436)
Step 1180, Epot=-2.355810e+05, Fnorm=2.840e+02, Fmax=1.896e+03 (atom 6226)
Step 1181, Epot=-2.355829e+05, Fnorm=2.811e+02, Fmax=2.000e+03 (atom 2194)
Step 1182, Epot=-2.355848e+05, Fnorm=2.731e+02, Fmax=1.828e+03 (atom 1510)
Step 1183, Epot=-2.355868e+05, Fnorm=2.746e+02, Fmax=1.831e+03 (atom 1510)
Step 1184, Epot=-2.355886e+05, Fnorm=2.782e+02, Fmax=1.746e+03 (atom 1126)
Step 1185, Epot=-2.355906e+05, Fnorm=2.729e+02, Fmax=1.503e+03 (atom 3130)
Step 1186, Epot=-2.355927e+05, Fnorm=2.778e+02, Fmax=1.715e+03 (atom 436)
Step 1187, Epot=-2.355946e+05, Fnorm=2.793e+02, Fmax=1.457e+03 (atom 5884)
Step 1188, Epot=-2.355968e+05, Fnorm=2.796e+02, Fmax=1.754e+03 (atom 2836)
Step 1189, Epot=-2.355988e+05, Fnorm=2.821e+02, Fmax=1.593e+03 (atom 5416)
Step 1190, Epot=-2.356010e+05, Fnorm=2.801e+02, Fmax=1.947e+03 (atom 1906)
Step 1191, Epot=-2.356030e+05, Fnorm=2.778e+02, Fmax=1.619e+03 (atom 5680)
Step 1192, Epot=-2.356052e+05, Fnorm=2.740e+02, Fmax=1.522e+03 (atom 5740)
Step 1193, Epot=-2.356074e+05, Fnorm=2.749e+02, Fmax=1.438e+03 (atom 928)
Step 1194, Epot=-2.356096e+05, Fnorm=2.792e+02, Fmax=1.655e+03 (atom 6076)
Step 1195, Epot=-2.356118e+05, Fnorm=2.848e+02, Fmax=1.984e+03 (atom 3376)
Step 1196, Epot=-2.356142e+05, Fnorm=2.776e+02, Fmax=1.589e+03 (atom 3574)
Step 1197, Epot=-2.356165e+05, Fnorm=2.790e+02, Fmax=2.056e+03 (atom 4498)
Step 1198, Epot=-2.356188e+05, Fnorm=2.766e+02, Fmax=1.616e+03 (atom 3442)
Step 1199, Epot=-2.356211e+05, Fnorm=2.743e+02, Fmax=1.561e+03 (atom 3574)
Step 1200, Epot=-2.356231e+05, Fnorm=2.803e+02, Fmax=1.596e+03 (atom 3508)
Step 1201, Epot=-2.356254e+05, Fnorm=2.752e+02, Fmax=1.590e+03 (atom 3508)
Step 1202, Epot=-2.356276e+05, Fnorm=2.787e+02, Fmax=1.790e+03 (atom 2836)
Step 1203, Epot=-2.356297e+05, Fnorm=2.744e+02, Fmax=1.514e+03 (atom 3448)
Step 1204, Epot=-2.356319e+05, Fnorm=2.792e+02, Fmax=1.724e+03 (atom 5746)
Step 1205, Epot=-2.356340e+05, Fnorm=2.807e+02, Fmax=2.020e+03 (atom 5482)
Step 1206, Epot=-2.356358e+05, Fnorm=2.795e+02, Fmax=1.560e+03 (atom 5278)
Step 1207, Epot=-2.356378e+05, Fnorm=2.769e+02, Fmax=1.767e+03 (atom 1192)
Step 1208, Epot=-2.356398e+05, Fnorm=2.784e+02, Fmax=1.767e+03 (atom 1192)
Step 1209, Epot=-2.356415e+05, Fnorm=2.744e+02, Fmax=1.598e+03 (atom 586)
Step 1210, Epot=-2.356434e+05, Fnorm=2.692e+02, Fmax=1.510e+03 (atom 6124)
Step 1211, Epot=-2.356452e+05, Fnorm=2.821e+02, Fmax=2.009e+03 (atom 4330)
Step 1212, Epot=-2.356470e+05, Fnorm=2.788e+02, Fmax=1.710e+03 (atom 1768)
Step 1213, Epot=-2.356488e+05, Fnorm=2.758e+02, Fmax=1.753e+03 (atom 1774)
Step 1214, Epot=-2.356505e+05, Fnorm=2.771e+02, Fmax=1.711e+03 (atom 3520)
Step 1215, Epot=-2.356520e+05, Fnorm=2.798e+02, Fmax=1.953e+03 (atom 3376)
Step 1216, Epot=-2.356534e+05, Fnorm=2.788e+02, Fmax=1.805e+03 (atom 1126)
Step 1217, Epot=-2.356551e+05, Fnorm=2.774e+02, Fmax=1.768e+03 (atom 1192)
Step 1218, Epot=-2.356567e+05, Fnorm=2.764e+02, Fmax=1.676e+03 (atom 5890)
Step 1219, Epot=-2.356583e+05, Fnorm=2.803e+02, Fmax=2.034e+03 (atom 2194)
Step 1220, Epot=-2.356601e+05, Fnorm=2.776e+02, Fmax=1.490e+03 (atom 5740)
Step 1221, Epot=-2.356619e+05, Fnorm=2.812e+02, Fmax=1.984e+03 (atom 4762)
Step 1222, Epot=-2.356636e+05, Fnorm=2.769e+02, Fmax=1.580e+03 (atom 586)
Step 1223, Epot=-2.356654e+05, Fnorm=2.727e+02, Fmax=1.576e+03 (atom 862)
Step 1224, Epot=-2.356669e+05, Fnorm=2.774e+02, Fmax=1.421e+03 (atom 5350)
Step 1225, Epot=-2.356685e+05, Fnorm=2.810e+02, Fmax=2.003e+03 (atom 5746)
Step 1226, Epot=-2.356702e+05, Fnorm=2.798e+02, Fmax=1.487e+03 (atom 4696)
Step 1227, Epot=-2.356718e+05, Fnorm=2.813e+02, Fmax=2.079e+03 (atom 4498)
Step 1228, Epot=-2.356735e+05, Fnorm=2.736e+02, Fmax=1.363e+03 (atom 1114)
Step 1229, Epot=-2.356752e+05, Fnorm=2.808e+02, Fmax=1.685e+03 (atom 370)
Step 1230, Epot=-2.356768e+05, Fnorm=2.730e+02, Fmax=1.703e+03 (atom 5956)
Step 1231, Epot=-2.356785e+05, Fnorm=2.744e+02, Fmax=1.952e+03 (atom 1708)
Step 1232, Epot=-2.356800e+05, Fnorm=2.782e+02, Fmax=1.814e+03 (atom 2836)
Step 1233, Epot=-2.356815e+05, Fnorm=2.763e+02, Fmax=1.673e+03 (atom 6076)
Step 1234, Epot=-2.356830e+05, Fnorm=2.761e+02, Fmax=1.598e+03 (atom 3574)
Step 1235, Epot=-2.356846e+05, Fnorm=2.791e+02, Fmax=1.750e+03 (atom 436)
Step 1236, Epot=-2.356863e+05, Fnorm=2.778e+02, Fmax=1.563e+03 (atom 3508)
Step 1237, Epot=-2.356879e+05, Fnorm=2.781e+02, Fmax=1.842e+03 (atom 2038)
Step 1238, Epot=-2.356895e+05, Fnorm=2.763e+02, Fmax=1.951e+03 (atom 3376)
Step 1239, Epot=-2.356910e+05, Fnorm=2.760e+02, Fmax=1.580e+03 (atom 1618)
Step 1240, Epot=-2.356926e+05, Fnorm=2.785e+02, Fmax=1.578e+03 (atom 1516)
Step 1241, Epot=-2.356941e+05, Fnorm=2.805e+02, Fmax=1.881e+03 (atom 3196)
Step 1242, Epot=-2.356956e+05, Fnorm=2.817e+02, Fmax=1.501e+03 (atom 5884)
Step 1243, Epot=-2.356972e+05, Fnorm=2.755e+02, Fmax=1.977e+03 (atom 1906)
Step 1244, Epot=-2.356987e+05, Fnorm=2.744e+02, Fmax=1.543e+03 (atom 3310)
Step 1245, Epot=-2.357003e+05, Fnorm=2.768e+02, Fmax=1.567e+03 (atom 3508)
Step 1246, Epot=-2.357019e+05, Fnorm=2.779e+02, Fmax=1.741e+03 (atom 5746)
Step 1247, Epot=-2.357033e+05, Fnorm=2.813e+02, Fmax=1.754e+03 (atom 2770)
Step 1248, Epot=-2.357048e+05, Fnorm=2.684e+02, Fmax=1.619e+03 (atom 6082)
Step 1249, Epot=-2.357062e+05, Fnorm=2.764e+02, Fmax=1.646e+03 (atom 3574)
Step 1250, Epot=-2.357076e+05, Fnorm=2.796e+02, Fmax=1.651e+03 (atom 3574)
Step 1251, Epot=-2.357090e+05, Fnorm=2.792e+02, Fmax=1.983e+03 (atom 1906)
Step 1252, Epot=-2.357104e+05, Fnorm=2.834e+02, Fmax=1.997e+03 (atom 1708)
Step 1253, Epot=-2.357118e+05, Fnorm=2.782e+02, Fmax=2.253e+03 (atom 1774)
Step 1254, Epot=-2.357132e+05, Fnorm=2.743e+02, Fmax=1.638e+03 (atom 4006)
Step 1255, Epot=-2.357146e+05, Fnorm=2.719e+02, Fmax=1.666e+03 (atom 5494)
Step 1256, Epot=-2.357159e+05, Fnorm=2.800e+02, Fmax=2.050e+03 (atom 2194)
Step 1257, Epot=-2.357173e+05, Fnorm=2.823e+02, Fmax=1.569e+03 (atom 994)
Step 1258, Epot=-2.357187e+05, Fnorm=2.836e+02, Fmax=1.597e+03 (atom 3910)
Step 1259, Epot=-2.357202e+05, Fnorm=2.789e+02, Fmax=1.554e+03 (atom 4996)
Step 1260, Epot=-2.357214e+05, Fnorm=2.802e+02, Fmax=2.246e+03 (atom 1774)
Step 1261, Epot=-2.357228e+05, Fnorm=2.739e+02, Fmax=1.661e+03 (atom 3940)
Step 1262, Epot=-2.357240e+05, Fnorm=2.849e+02, Fmax=1.597e+03 (atom 916)
Step 1263, Epot=-2.357253e+05, Fnorm=2.824e+02, Fmax=1.661e+03 (atom 1516)
Step 1264, Epot=-2.357266e+05, Fnorm=2.776e+02, Fmax=1.512e+03 (atom 2710)
Step 1265, Epot=-2.357279e+05, Fnorm=2.777e+02, Fmax=1.574e+03 (atom 5938)
Step 1266, Epot=-2.357292e+05, Fnorm=2.803e+02, Fmax=1.537e+03 (atom 2836)
Step 1267, Epot=-2.357304e+05, Fnorm=2.740e+02, Fmax=1.497e+03 (atom 3382)
Step 1268, Epot=-2.357318e+05, Fnorm=2.707e+02, Fmax=2.055e+03 (atom 1708)
Step 1269, Epot=-2.357329e+05, Fnorm=2.773e+02, Fmax=1.479e+03 (atom 4696)
Step 1270, Epot=-2.357342e+05, Fnorm=2.795e+02, Fmax=1.687e+03 (atom 6082)
Step 1271, Epot=-2.357352e+05, Fnorm=2.876e+02, Fmax=1.838e+03 (atom 370)
Step 1272, Epot=-2.357364e+05, Fnorm=2.751e+02, Fmax=1.554e+03 (atom 4630)
Step 1273, Epot=-2.357375e+05, Fnorm=2.783e+02, Fmax=1.608e+03 (atom 862)
Step 1274, Epot=-2.357387e+05, Fnorm=2.814e+02, Fmax=1.679e+03 (atom 3520)
Step 1275, Epot=-2.357399e+05, Fnorm=2.802e+02, Fmax=1.609e+03 (atom 334)
Step 1276, Epot=-2.357412e+05, Fnorm=2.804e+02, Fmax=1.577e+03 (atom 466)
Step 1277, Epot=-2.357423e+05, Fnorm=2.783e+02, Fmax=2.037e+03 (atom 4498)
Step 1278, Epot=-2.357437e+05, Fnorm=2.764e+02, Fmax=1.838e+03 (atom 3574)
Step 1279, Epot=-2.357450e+05, Fnorm=2.740e+02, Fmax=1.712e+03 (atom 5746)
Step 1280, Epot=-2.357462e+05, Fnorm=2.784e+02, Fmax=1.863e+03 (atom 370)
Step 1281, Epot=-2.357474e+05, Fnorm=2.895e+02, Fmax=2.257e+03 (atom 2038)
Step 1282, Epot=-2.357489e+05, Fnorm=2.764e+02, Fmax=1.404e+03 (atom 2326)
Step 1283, Epot=-2.357503e+05, Fnorm=2.851e+02, Fmax=1.689e+03 (atom 1516)
Step 1284, Epot=-2.357518e+05, Fnorm=2.779e+02, Fmax=1.545e+03 (atom 5350)
Step 1285, Epot=-2.357531e+05, Fnorm=2.763e+02, Fmax=1.773e+03 (atom 1774)
Step 1286, Epot=-2.357545e+05, Fnorm=2.696e+02, Fmax=1.610e+03 (atom 862)
Step 1287, Epot=-2.357558e+05, Fnorm=2.740e+02, Fmax=1.621e+03 (atom 5938)
Step 1288, Epot=-2.357569e+05, Fnorm=2.746e+02, Fmax=1.594e+03 (atom 454)
Step 1289, Epot=-2.357581e+05, Fnorm=2.666e+02, Fmax=1.504e+03 (atom 1774)
Step 1290, Epot=-2.357593e+05, Fnorm=2.698e+02, Fmax=1.729e+03 (atom 6082)
Step 1291, Epot=-2.357605e+05, Fnorm=2.702e+02, Fmax=2.098e+03 (atom 1708)
Step 1292, Epot=-2.357617e+05, Fnorm=2.754e+02, Fmax=1.900e+03 (atom 3574)
Step 1293, Epot=-2.357629e+05, Fnorm=2.748e+02, Fmax=1.526e+03 (atom 1330)
Step 1294, Epot=-2.357642e+05, Fnorm=2.788e+02, Fmax=1.591e+03 (atom 3442)
Step 1295, Epot=-2.357653e+05, Fnorm=2.755e+02, Fmax=1.588e+03 (atom 5938)
Step 1296, Epot=-2.357666e+05, Fnorm=2.727e+02, Fmax=1.830e+03 (atom 1192)
Step 1297, Epot=-2.357678e+05, Fnorm=2.815e+02, Fmax=1.991e+03 (atom 3376)
Step 1298, Epot=-2.357690e+05, Fnorm=2.830e+02, Fmax=1.655e+03 (atom 1516)
Step 1299, Epot=-2.357703e+05, Fnorm=2.808e+02, Fmax=1.846e+03 (atom 3898)
Step 1300, Epot=-2.357715e+05, Fnorm=2.770e+02, Fmax=1.711e+03 (atom 1768)
Step 1301, Epot=-2.357727e+05, Fnorm=2.711e+02, Fmax=1.922e+03 (atom 3196)
Step 1302, Epot=-2.357738e+05, Fnorm=2.713e+02, Fmax=1.899e+03 (atom 3574)
Step 1303, Epot=-2.357750e+05, Fnorm=2.743e+02, Fmax=1.595e+03 (atom 5608)
Step 1304, Epot=-2.357761e+05, Fnorm=2.788e+02, Fmax=1.676e+03 (atom 6076)
Step 1305, Epot=-2.357773e+05, Fnorm=2.781e+02, Fmax=1.934e+03 (atom 4264)
Step 1306, Epot=-2.357785e+05, Fnorm=2.738e+02, Fmax=1.683e+03 (atom 2836)
Step 1307, Epot=-2.357796e+05, Fnorm=2.726e+02, Fmax=1.979e+03 (atom 2770)
Step 1308, Epot=-2.357805e+05, Fnorm=2.683e+02, Fmax=1.505e+03 (atom 4630)
Step 1309, Epot=-2.357816e+05, Fnorm=2.776e+02, Fmax=1.646e+03 (atom 4498)
Step 1310, Epot=-2.357826e+05, Fnorm=2.818e+02, Fmax=1.573e+03 (atom 5878)
Step 1311, Epot=-2.357837e+05, Fnorm=2.795e+02, Fmax=1.972e+03 (atom 2194)
Step 1312, Epot=-2.357848e+05, Fnorm=2.755e+02, Fmax=1.681e+03 (atom 5746)
Step 1313, Epot=-2.357858e+05, Fnorm=2.735e+02, Fmax=1.424e+03 (atom 3034)
Step 1314, Epot=-2.357869e+05, Fnorm=2.770e+02, Fmax=1.737e+03 (atom 1252)
Step 1315, Epot=-2.357880e+05, Fnorm=2.756e+02, Fmax=1.754e+03 (atom 2770)
Step 1316, Epot=-2.357891e+05, Fnorm=2.751e+02, Fmax=1.480e+03 (atom 1642)
Step 1317, Epot=-2.357902e+05, Fnorm=2.755e+02, Fmax=2.277e+03 (atom 1774)
Step 1318, Epot=-2.357914e+05, Fnorm=2.753e+02, Fmax=2.276e+03 (atom 1774)
Step 1319, Epot=-2.357926e+05, Fnorm=2.817e+02, Fmax=1.979e+03 (atom 2194)
Step 1320, Epot=-2.357938e+05, Fnorm=2.800e+02, Fmax=1.493e+03 (atom 5740)
Step 1321, Epot=-2.357950e+05, Fnorm=2.764e+02, Fmax=1.515e+03 (atom 4996)
Step 1322, Epot=-2.357963e+05, Fnorm=2.728e+02, Fmax=1.489e+03 (atom 1516)
Step 1323, Epot=-2.357976e+05, Fnorm=2.754e+02, Fmax=1.709e+03 (atom 1768)
Step 1324, Epot=-2.357988e+05, Fnorm=2.765e+02, Fmax=1.550e+03 (atom 3826)
Step 1325, Epot=-2.358000e+05, Fnorm=2.791e+02, Fmax=1.495e+03 (atom 664)
Step 1326, Epot=-2.358014e+05, Fnorm=2.845e+02, Fmax=2.356e+03 (atom 5746)
Step 1327, Epot=-2.358027e+05, Fnorm=2.787e+02, Fmax=1.454e+03 (atom 2404)
Step 1328, Epot=-2.358040e+05, Fnorm=2.775e+02, Fmax=1.455e+03 (atom 2404)
Step 1329, Epot=-2.358053e+05, Fnorm=2.771e+02, Fmax=1.498e+03 (atom 5884)
Step 1330, Epot=-2.358065e+05, Fnorm=2.774e+02, Fmax=1.861e+03 (atom 3574)
Step 1331, Epot=-2.358077e+05, Fnorm=2.781e+02, Fmax=1.474e+03 (atom 5212)
Step 1332, Epot=-2.358089e+05, Fnorm=2.839e+02, Fmax=1.752e+03 (atom 3130)
Step 1333, Epot=-2.358103e+05, Fnorm=2.793e+02, Fmax=1.714e+03 (atom 5608)
Step 1334, Epot=-2.358115e+05, Fnorm=2.815e+02, Fmax=1.978e+03 (atom 2194)
Step 1335, Epot=-2.358129e+05, Fnorm=2.822e+02, Fmax=1.739e+03 (atom 436)
Step 1336, Epot=-2.358141e+05, Fnorm=2.789e+02, Fmax=1.970e+03 (atom 3196)
Step 1337, Epot=-2.358154e+05, Fnorm=2.704e+02, Fmax=1.613e+03 (atom 1618)
Step 1338, Epot=-2.358165e+05, Fnorm=2.762e+02, Fmax=1.725e+03 (atom 6010)
Step 1339, Epot=-2.358178e+05, Fnorm=2.718e+02, Fmax=1.446e+03 (atom 2008)
Step 1340, Epot=-2.358191e+05, Fnorm=2.758e+02, Fmax=2.012e+03 (atom 4498)
Step 1341, Epot=-2.358203e+05, Fnorm=2.775e+02, Fmax=1.516e+03 (atom 1708)
Step 1342, Epot=-2.358215e+05, Fnorm=2.787e+02, Fmax=1.703e+03 (atom 6082)
Step 1343, Epot=-2.358227e+05, Fnorm=2.748e+02, Fmax=1.643e+03 (atom 1504)
Step 1344, Epot=-2.358240e+05, Fnorm=2.739e+02, Fmax=1.490e+03 (atom 1582)
Step 1345, Epot=-2.358208e+05, Fnorm=2.786e+02, Fmax=2.041e+03 (atom 2968)
Step 1346, Epot=-2.358221e+05, Fnorm=2.775e+02, Fmax=1.623e+03 (atom 3442)
Step 1347, Epot=-2.358235e+05, Fnorm=2.767e+02, Fmax=1.962e+03 (atom 1708)
Step 1348, Epot=-2.358248e+05, Fnorm=2.780e+02, Fmax=2.058e+03 (atom 2770)
Step 1349, Epot=-2.358261e+05, Fnorm=2.733e+02, Fmax=1.508e+03 (atom 6172)
Step 1350, Epot=-2.358274e+05, Fnorm=2.746e+02, Fmax=1.647e+03 (atom 1330)
Step 1351, Epot=-2.358288e+05, Fnorm=2.763e+02, Fmax=1.645e+03 (atom 1330)
Step 1352, Epot=-2.358301e+05, Fnorm=2.727e+02, Fmax=1.581e+03 (atom 4630)
Step 1353, Epot=-2.358314e+05, Fnorm=2.784e+02, Fmax=1.612e+03 (atom 1258)
Step 1354, Epot=-2.358327e+05, Fnorm=2.742e+02, Fmax=1.642e+03 (atom 3442)
Step 1355, Epot=-2.358338e+05, Fnorm=2.761e+02, Fmax=1.527e+03 (atom 3958)
Step 1356, Epot=-2.358351e+05, Fnorm=2.762e+02, Fmax=1.607e+03 (atom 3508)
Step 1357, Epot=-2.358365e+05, Fnorm=2.832e+02, Fmax=1.547e+03 (atom 5428)
Step 1358, Epot=-2.358379e+05, Fnorm=2.791e+02, Fmax=1.578e+03 (atom 4030)
Step 1359, Epot=-2.358392e+05, Fnorm=2.759e+02, Fmax=1.656e+03 (atom 6082)
Step 1360, Epot=-2.358405e+05, Fnorm=2.727e+02, Fmax=1.464e+03 (atom 3934)
Step 1361, Epot=-2.358418e+05, Fnorm=2.786e+02, Fmax=1.638e+03 (atom 5956)
Step 1362, Epot=-2.358430e+05, Fnorm=2.856e+02, Fmax=2.000e+03 (atom 4498)
Step 1363, Epot=-2.358442e+05, Fnorm=2.795e+02, Fmax=1.659e+03 (atom 4006)
Step 1364, Epot=-2.358456e+05, Fnorm=2.742e+02, Fmax=1.941e+03 (atom 4264)
Step 1365, Epot=-2.358467e+05, Fnorm=2.781e+02, Fmax=1.677e+03 (atom 5746)
Step 1366, Epot=-2.358478e+05, Fnorm=2.765e+02, Fmax=1.489e+03 (atom 1516)
Step 1367, Epot=-2.358492e+05, Fnorm=2.707e+02, Fmax=1.499e+03 (atom 928)
Step 1368, Epot=-2.358505e+05, Fnorm=2.762e+02, Fmax=1.602e+03 (atom 1402)
Step 1369, Epot=-2.358516e+05, Fnorm=2.870e+02, Fmax=2.011e+03 (atom 1972)
Step 1370, Epot=-2.358528e+05, Fnorm=2.755e+02, Fmax=1.989e+03 (atom 3376)
Step 1371, Epot=-2.358540e+05, Fnorm=2.728e+02, Fmax=2.262e+03 (atom 1774)
Step 1372, Epot=-2.358552e+05, Fnorm=2.757e+02, Fmax=1.990e+03 (atom 4498)
Step 1373, Epot=-2.358562e+05, Fnorm=2.759e+02, Fmax=1.741e+03 (atom 1192)
Step 1374, Epot=-2.358575e+05, Fnorm=2.795e+02, Fmax=1.547e+03 (atom 5416)
Step 1375, Epot=-2.358586e+05, Fnorm=2.783e+02, Fmax=1.536e+03 (atom 3910)
Step 1376, Epot=-2.358596e+05, Fnorm=2.753e+02, Fmax=1.544e+03 (atom 3310)
Step 1377, Epot=-2.358608e+05, Fnorm=2.733e+02, Fmax=1.600e+03 (atom 2044)
Step 1378, Epot=-2.358621e+05, Fnorm=2.766e+02, Fmax=1.655e+03 (atom 3442)
Step 1379, Epot=-2.358632e+05, Fnorm=2.817e+02, Fmax=1.588e+03 (atom 586)
Step 1380, Epot=-2.358644e+05, Fnorm=2.755e+02, Fmax=1.966e+03 (atom 3574)
Step 1381, Epot=-2.358656e+05, Fnorm=2.815e+02, Fmax=1.934e+03 (atom 4264)
Step 1382, Epot=-2.358668e+05, Fnorm=2.816e+02, Fmax=1.478e+03 (atom 1516)
Step 1383, Epot=-2.358678e+05, Fnorm=2.800e+02, Fmax=1.463e+03 (atom 5164)
Step 1384, Epot=-2.358691e+05, Fnorm=2.775e+02, Fmax=1.661e+03 (atom 3910)
Step 1385, Epot=-2.358701e+05, Fnorm=2.742e+02, Fmax=1.791e+03 (atom 2770)
Step 1386, Epot=-2.358712e+05, Fnorm=2.740e+02, Fmax=1.589e+03 (atom 586)
Step 1387, Epot=-2.358723e+05, Fnorm=2.792e+02, Fmax=1.573e+03 (atom 5416)
Step 1388, Epot=-2.358734e+05, Fnorm=2.774e+02, Fmax=1.669e+03 (atom 1510)
Step 1389, Epot=-2.358745e+05, Fnorm=2.771e+02, Fmax=1.999e+03 (atom 1708)
Step 1390, Epot=-2.358757e+05, Fnorm=2.737e+02, Fmax=1.621e+03 (atom 1354)
Step 1391, Epot=-2.358769e+05, Fnorm=2.804e+02, Fmax=1.962e+03 (atom 1906)
Step 1392, Epot=-2.358782e+05, Fnorm=2.852e+02, Fmax=1.959e+03 (atom 3574)
Step 1393, Epot=-2.358794e+05, Fnorm=2.819e+02, Fmax=1.604e+03 (atom 3448)
Step 1394, Epot=-2.358807e+05, Fnorm=2.747e+02, Fmax=1.451e+03 (atom 3964)
Step 1395, Epot=-2.358819e+05, Fnorm=2.773e+02, Fmax=1.654e+03 (atom 5746)
Step 1396, Epot=-2.358829e+05, Fnorm=2.812e+02, Fmax=1.674e+03 (atom 1510)
Step 1397, Epot=-2.358842e+05, Fnorm=2.813e+02, Fmax=2.004e+03 (atom 3376)
Step 1398, Epot=-2.358856e+05, Fnorm=2.788e+02, Fmax=1.745e+03 (atom 2038)
Step 1399, Epot=-2.358868e+05, Fnorm=2.827e+02, Fmax=2.408e+03 (atom 5482)
Step 1400, Epot=-2.358882e+05, Fnorm=2.764e+02, Fmax=1.431e+03 (atom 3826)
Step 1401, Epot=-2.358897e+05, Fnorm=2.793e+02, Fmax=1.396e+03 (atom 5098)
Step 1402, Epot=-2.358911e+05, Fnorm=2.852e+02, Fmax=1.639e+03 (atom 5956)
Step 1403, Epot=-2.358925e+05, Fnorm=2.792e+02, Fmax=1.801e+03 (atom 5686)
Step 1404, Epot=-2.358937e+05, Fnorm=2.714e+02, Fmax=1.615e+03 (atom 1354)
Step 1405, Epot=-2.358950e+05, Fnorm=2.748e+02, Fmax=1.615e+03 (atom 3442)
Step 1406, Epot=-2.358963e+05, Fnorm=2.834e+02, Fmax=1.970e+03 (atom 4330)
Step 1407, Epot=-2.358975e+05, Fnorm=2.734e+02, Fmax=1.582e+03 (atom 1642)
Step 1408, Epot=-2.358987e+05, Fnorm=2.768e+02, Fmax=1.921e+03 (atom 3574)
Step 1409, Epot=-2.358999e+05, Fnorm=2.719e+02, Fmax=1.652e+03 (atom 2044)
Step 1410, Epot=-2.359013e+05, Fnorm=2.765e+02, Fmax=1.618e+03 (atom 916)
Step 1411, Epot=-2.359026e+05, Fnorm=2.823e+02, Fmax=1.618e+03 (atom 916)
Step 1412, Epot=-2.359039e+05, Fnorm=2.786e+02, Fmax=1.459e+03 (atom 1330)
Step 1413, Epot=-2.359052e+05, Fnorm=2.750e+02, Fmax=1.629e+03 (atom 2392)
Step 1414, Epot=-2.359063e+05, Fnorm=2.697e+02, Fmax=1.598e+03 (atom 3508)
Step 1415, Epot=-2.359075e+05, Fnorm=2.774e+02, Fmax=1.428e+03 (atom 1852)
Step 1416, Epot=-2.359086e+05, Fnorm=2.763e+02, Fmax=1.642e+03 (atom 4006)
Step 1417, Epot=-2.359099e+05, Fnorm=2.828e+02, Fmax=2.098e+03 (atom 2968)
Step 1418, Epot=-2.359112e+05, Fnorm=2.845e+02, Fmax=1.933e+03 (atom 5218)
Step 1419, Epot=-2.359124e+05, Fnorm=2.752e+02, Fmax=1.626e+03 (atom 1336)
Step 1420, Epot=-2.359138e+05, Fnorm=2.804e+02, Fmax=1.797e+03 (atom 1774)
Step 1421, Epot=-2.359151e+05, Fnorm=2.790e+02, Fmax=1.767e+03 (atom 1768)
Step 1422, Epot=-2.359166e+05, Fnorm=2.858e+02, Fmax=1.921e+03 (atom 3196)
Step 1423, Epot=-2.359179e+05, Fnorm=2.890e+02, Fmax=1.961e+03 (atom 4762)
Step 1424, Epot=-2.359194e+05, Fnorm=2.757e+02, Fmax=1.860e+03 (atom 3574)
Step 1425, Epot=-2.359207e+05, Fnorm=2.755e+02, Fmax=1.781e+03 (atom 6076)
Step 1426, Epot=-2.359221e+05, Fnorm=2.721e+02, Fmax=1.780e+03 (atom 3310)
Step 1427, Epot=-2.359233e+05, Fnorm=2.808e+02, Fmax=1.606e+03 (atom 3448)
Step 1428, Epot=-2.359246e+05, Fnorm=2.733e+02, Fmax=1.643e+03 (atom 5356)
Step 1429, Epot=-2.359259e+05, Fnorm=2.777e+02, Fmax=1.995e+03 (atom 3508)
Step 1430, Epot=-2.359272e+05, Fnorm=2.802e+02, Fmax=1.696e+03 (atom 5608)
Step 1431, Epot=-2.359284e+05, Fnorm=2.806e+02, Fmax=1.601e+03 (atom 466)
Step 1432, Epot=-2.359297e+05, Fnorm=2.735e+02, Fmax=1.560e+03 (atom 3826)
Step 1433, Epot=-2.359308e+05, Fnorm=2.729e+02, Fmax=1.441e+03 (atom 5740)
Step 1434, Epot=-2.359319e+05, Fnorm=2.728e+02, Fmax=1.476e+03 (atom 3958)
Step 1435, Epot=-2.359331e+05, Fnorm=2.752e+02, Fmax=1.555e+03 (atom 3130)
Step 1436, Epot=-2.359342e+05, Fnorm=2.764e+02, Fmax=1.625e+03 (atom 3910)
Step 1437, Epot=-2.359354e+05, Fnorm=2.833e+02, Fmax=2.042e+03 (atom 1708)
Step 1438, Epot=-2.359365e+05, Fnorm=2.839e+02, Fmax=1.794e+03 (atom 3520)
Step 1439, Epot=-2.359377e+05, Fnorm=2.824e+02, Fmax=1.691e+03 (atom 5890)
Step 1440, Epot=-2.359387e+05, Fnorm=2.817e+02, Fmax=1.673e+03 (atom 2044)
Step 1441, Epot=-2.359399e+05, Fnorm=2.744e+02, Fmax=1.839e+03 (atom 5878)
Step 1442, Epot=-2.359411e+05, Fnorm=2.802e+02, Fmax=1.996e+03 (atom 2770)
Step 1443, Epot=-2.359422e+05, Fnorm=2.777e+02, Fmax=1.677e+03 (atom 5608)
Step 1444, Epot=-2.359434e+05, Fnorm=2.790e+02, Fmax=2.142e+03 (atom 2326)
Step 1445, Epot=-2.359445e+05, Fnorm=2.714e+02, Fmax=2.142e+03 (atom 2326)
Step 1446, Epot=-2.359456e+05, Fnorm=2.786e+02, Fmax=1.601e+03 (atom 598)
Step 1447, Epot=-2.359467e+05, Fnorm=2.758e+02, Fmax=1.540e+03 (atom 1132)
Step 1448, Epot=-2.359476e+05, Fnorm=2.718e+02, Fmax=2.068e+03 (atom 2968)
Step 1449, Epot=-2.359486e+05, Fnorm=2.712e+02, Fmax=1.560e+03 (atom 3442)
Step 1450, Epot=-2.359495e+05, Fnorm=2.764e+02, Fmax=1.669e+03 (atom 1336)
Step 1451, Epot=-2.359506e+05, Fnorm=2.799e+02, Fmax=2.038e+03 (atom 1708)
Step 1452, Epot=-2.359516e+05, Fnorm=2.781e+02, Fmax=1.632e+03 (atom 1516)
Step 1453, Epot=-2.359526e+05, Fnorm=2.761e+02, Fmax=1.848e+03 (atom 3574)
Step 1454, Epot=-2.359536e+05, Fnorm=2.739e+02, Fmax=1.602e+03 (atom 5692)
Step 1455, Epot=-2.359548e+05, Fnorm=2.739e+02, Fmax=1.595e+03 (atom 5476)
Step 1456, Epot=-2.359558e+05, Fnorm=2.819e+02, Fmax=1.795e+03 (atom 1192)
Step 1457, Epot=-2.359570e+05, Fnorm=2.830e+02, Fmax=1.618e+03 (atom 5608)
Step 1458, Epot=-2.359581e+05, Fnorm=2.778e+02, Fmax=1.616e+03 (atom 5608)
Step 1459, Epot=-2.359593e+05, Fnorm=2.785e+02, Fmax=2.262e+03 (atom 3310)
Step 1460, Epot=-2.359605e+05, Fnorm=2.801e+02, Fmax=1.577e+03 (atom 3442)
Step 1461, Epot=-2.359617e+05, Fnorm=2.795e+02, Fmax=1.591e+03 (atom 5476)
Step 1462, Epot=-2.359628e+05, Fnorm=2.810e+02, Fmax=1.976e+03 (atom 4498)
Step 1463, Epot=-2.359641e+05, Fnorm=2.813e+02, Fmax=1.977e+03 (atom 4498)
Step 1464, Epot=-2.359653e+05, Fnorm=2.837e+02, Fmax=2.478e+03 (atom 2770)
Step 1465, Epot=-2.359667e+05, Fnorm=2.777e+02, Fmax=1.575e+03 (atom 1774)
Step 1466, Epot=-2.359679e+05, Fnorm=2.776e+02, Fmax=1.659e+03 (atom 1510)
Step 1467, Epot=-2.359690e+05, Fnorm=2.710e+02, Fmax=1.614e+03 (atom 2392)
Step 1468, Epot=-2.359702e+05, Fnorm=2.725e+02, Fmax=1.588e+03 (atom 5476)
Step 1469, Epot=-2.359714e+05, Fnorm=2.724e+02, Fmax=1.717e+03 (atom 5746)
Step 1470, Epot=-2.359725e+05, Fnorm=2.702e+02, Fmax=1.717e+03 (atom 5746)
Step 1471, Epot=-2.359737e+05, Fnorm=2.801e+02, Fmax=1.700e+03 (atom 3130)
Step 1472, Epot=-2.359748e+05, Fnorm=2.824e+02, Fmax=1.595e+03 (atom 3442)
Step 1473, Epot=-2.359759e+05, Fnorm=2.781e+02, Fmax=1.558e+03 (atom 598)
Step 1474, Epot=-2.359772e+05, Fnorm=2.708e+02, Fmax=1.396e+03 (atom 2326)
Step 1475, Epot=-2.359782e+05, Fnorm=2.838e+02, Fmax=1.519e+03 (atom 1516)
Step 1476, Epot=-2.359793e+05, Fnorm=2.827e+02, Fmax=1.737e+03 (atom 436)
Step 1477, Epot=-2.359805e+05, Fnorm=2.790e+02, Fmax=1.682e+03 (atom 670)
Step 1478, Epot=-2.359816e+05, Fnorm=2.820e+02, Fmax=1.940e+03 (atom 6010)
Step 1479, Epot=-2.359827e+05, Fnorm=2.782e+02, Fmax=1.772e+03 (atom 1774)
Step 1480, Epot=-2.359839e+05, Fnorm=2.778e+02, Fmax=1.604e+03 (atom 5230)
Step 1481, Epot=-2.359852e+05, Fnorm=2.803e+02, Fmax=1.746e+03 (atom 3310)
Step 1482, Epot=-2.359863e+05, Fnorm=2.803e+02, Fmax=1.584e+03 (atom 1618)
Step 1483, Epot=-2.359874e+05, Fnorm=2.715e+02, Fmax=1.659e+03 (atom 1510)
Step 1484, Epot=-2.359886e+05, Fnorm=2.759e+02, Fmax=1.657e+03 (atom 1510)
Step 1485, Epot=-2.359895e+05, Fnorm=2.768e+02, Fmax=1.657e+03 (atom 2044)
Step 1486, Epot=-2.359907e+05, Fnorm=2.800e+02, Fmax=1.702e+03 (atom 5956)
Step 1487, Epot=-2.359919e+05, Fnorm=2.843e+02, Fmax=1.612e+03 (atom 5746)
Step 1488, Epot=-2.359932e+05, Fnorm=2.877e+02, Fmax=1.612e+03 (atom 5746)
Step 1489, Epot=-2.359946e+05, Fnorm=2.858e+02, Fmax=1.578e+03 (atom 5476)
Step 1490, Epot=-2.359960e+05, Fnorm=2.767e+02, Fmax=1.648e+03 (atom 6082)
Step 1491, Epot=-2.359973e+05, Fnorm=2.772e+02, Fmax=1.863e+03 (atom 3574)
Step 1492, Epot=-2.359987e+05, Fnorm=2.749e+02, Fmax=1.588e+03 (atom 586)
Step 1493, Epot=-2.359999e+05, Fnorm=2.746e+02, Fmax=1.577e+03 (atom 5476)
Step 1494, Epot=-2.360011e+05, Fnorm=2.714e+02, Fmax=1.406e+03 (atom 3310)
Step 1495, Epot=-2.360023e+05, Fnorm=2.737e+02, Fmax=1.703e+03 (atom 3310)
Step 1496, Epot=-2.360035e+05, Fnorm=2.764e+02, Fmax=2.257e+03 (atom 3310)
Step 1497, Epot=-2.360046e+05, Fnorm=2.746e+02, Fmax=1.676e+03 (atom 6082)
Step 1498, Epot=-2.360058e+05, Fnorm=2.820e+02, Fmax=1.678e+03 (atom 6082)
Step 1499, Epot=-2.360071e+05, Fnorm=2.792e+02, Fmax=1.553e+03 (atom 916)
Step 1500, Epot=-2.360083e+05, Fnorm=2.810e+02, Fmax=1.601e+03 (atom 3508)
Step 1501, Epot=-2.360097e+05, Fnorm=2.792e+02, Fmax=1.693e+03 (atom 3130)
Step 1502, Epot=-2.360110e+05, Fnorm=2.808e+02, Fmax=1.694e+03 (atom 3130)
Step 1503, Epot=-2.360124e+05, Fnorm=2.843e+02, Fmax=1.575e+03 (atom 1708)
Step 1504, Epot=-2.360137e+05, Fnorm=2.767e+02, Fmax=1.575e+03 (atom 1708)
Step 1505, Epot=-2.360152e+05, Fnorm=2.861e+02, Fmax=1.683e+03 (atom 5428)
Step 1506, Epot=-2.360166e+05, Fnorm=2.790e+02, Fmax=1.642e+03 (atom 3442)
Step 1507, Epot=-2.360180e+05, Fnorm=2.821e+02, Fmax=1.475e+03 (atom 994)
Step 1508, Epot=-2.360195e+05, Fnorm=2.783e+02, Fmax=1.430e+03 (atom 1114)
Step 1509, Epot=-2.360208e+05, Fnorm=2.826e+02, Fmax=1.570e+03 (atom 5476)
Step 1510, Epot=-2.360223e+05, Fnorm=2.816e+02, Fmax=1.843e+03 (atom 5686)
Step 1511, Epot=-2.360239e+05, Fnorm=2.753e+02, Fmax=1.474e+03 (atom 1486)
Step 1512, Epot=-2.360253e+05, Fnorm=2.773e+02, Fmax=1.783e+03 (atom 5338)
Step 1513, Epot=-2.360268e+05, Fnorm=2.772e+02, Fmax=2.014e+03 (atom 5482)
Step 1514, Epot=-2.360281e+05, Fnorm=2.828e+02, Fmax=1.676e+03 (atom 2392)
Step 1515, Epot=-2.360295e+05, Fnorm=2.814e+02, Fmax=1.654e+03 (atom 2392)
Step 1516, Epot=-2.360309e+05, Fnorm=2.747e+02, Fmax=1.570e+03 (atom 334)
Step 1517, Epot=-2.360322e+05, Fnorm=2.758e+02, Fmax=1.530e+03 (atom 2698)
Step 1518, Epot=-2.360337e+05, Fnorm=2.750e+02, Fmax=1.496e+03 (atom 436)
Step 1519, Epot=-2.360391e+05, Fnorm=2.789e+02, Fmax=1.491e+03 (atom 1486)
Step 1520, Epot=-2.360405e+05, Fnorm=2.770e+02, Fmax=1.659e+03 (atom 4006)
Step 1521, Epot=-2.360420e+05, Fnorm=2.824e+02, Fmax=1.912e+03 (atom 1906)
Step 1522, Epot=-2.360435e+05, Fnorm=2.829e+02, Fmax=2.072e+03 (atom 826)
Step 1523, Epot=-2.360449e+05, Fnorm=2.819e+02, Fmax=1.556e+03 (atom 916)
Step 1524, Epot=-2.360465e+05, Fnorm=2.788e+02, Fmax=1.615e+03 (atom 4498)
Step 1525, Epot=-2.360481e+05, Fnorm=2.788e+02, Fmax=1.993e+03 (atom 3196)
Step 1526, Epot=-2.360496e+05, Fnorm=2.839e+02, Fmax=1.655e+03 (atom 5608)
Step 1527, Epot=-2.360512e+05, Fnorm=2.797e+02, Fmax=1.821e+03 (atom 664)
Step 1528, Epot=-2.360528e+05, Fnorm=2.764e+02, Fmax=1.619e+03 (atom 6082)
Step 1529, Epot=-2.360543e+05, Fnorm=2.793e+02, Fmax=1.617e+03 (atom 6082)
Step 1530, Epot=-2.360560e+05, Fnorm=2.812e+02, Fmax=1.645e+03 (atom 6226)
Step 1531, Epot=-2.360576e+05, Fnorm=2.831e+02, Fmax=1.992e+03 (atom 2194)
Step 1532, Epot=-2.360593e+05, Fnorm=2.844e+02, Fmax=1.836e+03 (atom 3574)
Step 1533, Epot=-2.360608e+05, Fnorm=2.824e+02, Fmax=1.835e+03 (atom 3574)
Step 1534, Epot=-2.360624e+05, Fnorm=2.808e+02, Fmax=1.583e+03 (atom 1132)
Step 1535, Epot=-2.360639e+05, Fnorm=2.755e+02, Fmax=1.632e+03 (atom 862)
Step 1536, Epot=-2.360655e+05, Fnorm=2.827e+02, Fmax=1.541e+03 (atom 1132)
Step 1537, Epot=-2.360671e+05, Fnorm=2.840e+02, Fmax=1.658e+03 (atom 2392)
Step 1538, Epot=-2.360687e+05, Fnorm=2.810e+02, Fmax=1.738e+03 (atom 2770)
Step 1539, Epot=-2.360704e+05, Fnorm=2.775e+02, Fmax=1.586e+03 (atom 4498)
Step 1540, Epot=-2.360722e+05, Fnorm=2.842e+02, Fmax=1.953e+03 (atom 4330)
Step 1541, Epot=-2.360739e+05, Fnorm=2.828e+02, Fmax=1.839e+03 (atom 1510)
Step 1542, Epot=-2.360755e+05, Fnorm=2.824e+02, Fmax=1.895e+03 (atom 3898)
Step 1543, Epot=-2.360772e+05, Fnorm=2.755e+02, Fmax=1.896e+03 (atom 3898)
Step 1544, Epot=-2.360789e+05, Fnorm=2.736e+02, Fmax=1.555e+03 (atom 3310)
Step 1545, Epot=-2.360805e+05, Fnorm=2.781e+02, Fmax=1.798e+03 (atom 3574)
Step 1546, Epot=-2.360824e+05, Fnorm=2.843e+02, Fmax=1.970e+03 (atom 4498)
Step 1547, Epot=-2.360842e+05, Fnorm=2.855e+02, Fmax=1.483e+03 (atom 5164)
Step 1548, Epot=-2.360859e+05, Fnorm=2.845e+02, Fmax=1.602e+03 (atom 5422)
Step 1549, Epot=-2.360875e+05, Fnorm=2.793e+02, Fmax=1.789e+03 (atom 3520)
Step 1550, Epot=-2.360891e+05, Fnorm=2.726e+02, Fmax=1.554e+03 (atom 5890)
Step 1551, Epot=-2.360906e+05, Fnorm=2.795e+02, Fmax=1.599e+03 (atom 916)
Step 1552, Epot=-2.360920e+05, Fnorm=2.801e+02, Fmax=1.650e+03 (atom 598)
Step 1553, Epot=-2.360936e+05, Fnorm=2.782e+02, Fmax=1.663e+03 (atom 5878)
Step 1554, Epot=-2.360952e+05, Fnorm=2.795e+02, Fmax=1.550e+03 (atom 6112)
Step 1555, Epot=-2.360967e+05, Fnorm=2.871e+02, Fmax=1.713e+03 (atom 2836)
Step 1556, Epot=-2.360984e+05, Fnorm=2.820e+02, Fmax=1.706e+03 (atom 1768)
Step 1557, Epot=-2.361002e+05, Fnorm=2.786e+02, Fmax=1.961e+03 (atom 4330)
Step 1558, Epot=-2.361018e+05, Fnorm=2.741e+02, Fmax=1.673e+03 (atom 4006)
Step 1559, Epot=-2.361034e+05, Fnorm=2.817e+02, Fmax=1.789e+03 (atom 1192)
Step 1560, Epot=-2.361050e+05, Fnorm=2.860e+02, Fmax=1.941e+03 (atom 4264)
Step 1561, Epot=-2.361067e+05, Fnorm=2.812e+02, Fmax=2.009e+03 (atom 1708)
Step 1562, Epot=-2.361083e+05, Fnorm=2.789e+02, Fmax=2.006e+03 (atom 1708)
Step 1563, Epot=-2.361098e+05, Fnorm=2.787e+02, Fmax=1.636e+03 (atom 3508)
Step 1564, Epot=-2.361115e+05, Fnorm=2.799e+02, Fmax=2.042e+03 (atom 4564)
Step 1565, Epot=-2.361131e+05, Fnorm=2.808e+02, Fmax=1.571e+03 (atom 4498)
Step 1566, Epot=-2.361148e+05, Fnorm=2.788e+02, Fmax=2.015e+03 (atom 3376)
Step 1567, Epot=-2.361167e+05, Fnorm=2.801e+02, Fmax=2.014e+03 (atom 3376)
Step 1568, Epot=-2.361185e+05, Fnorm=2.913e+02, Fmax=1.944e+03 (atom 4264)
Step 1569, Epot=-2.361204e+05, Fnorm=2.944e+02, Fmax=1.630e+03 (atom 670)
Step 1570, Epot=-2.361226e+05, Fnorm=2.869e+02, Fmax=1.774e+03 (atom 2770)
Step 1571, Epot=-2.361246e+05, Fnorm=2.795e+02, Fmax=1.606e+03 (atom 3442)
Step 1572, Epot=-2.361265e+05, Fnorm=2.830e+02, Fmax=1.694e+03 (atom 1768)
Step 1573, Epot=-2.361284e+05, Fnorm=2.751e+02, Fmax=1.452e+03 (atom 4696)
Step 1574, Epot=-2.361305e+05, Fnorm=2.790e+02, Fmax=1.793e+03 (atom 3520)
Step 1575, Epot=-2.361325e+05, Fnorm=2.879e+02, Fmax=1.815e+03 (atom 5482)
Step 1576, Epot=-2.361346e+05, Fnorm=2.716e+02, Fmax=1.531e+03 (atom 5152)
Step 1577, Epot=-2.361368e+05, Fnorm=2.775e+02, Fmax=1.949e+03 (atom 2194)
Step 1578, Epot=-2.361390e+05, Fnorm=2.840e+02, Fmax=1.571e+03 (atom 3826)
Step 1579, Epot=-2.361411e+05, Fnorm=2.768e+02, Fmax=1.745e+03 (atom 436)
Step 1580, Epot=-2.361432e+05, Fnorm=2.819e+02, Fmax=2.494e+03 (atom 5746)
Step 1581, Epot=-2.361452e+05, Fnorm=2.816e+02, Fmax=1.795e+03 (atom 1354)
Step 1582, Epot=-2.361473e+05, Fnorm=2.776e+02, Fmax=1.519e+03 (atom 1684)
Step 1583, Epot=-2.361492e+05, Fnorm=2.833e+02, Fmax=1.640e+03 (atom 598)
Step 1584, Epot=-2.361512e+05, Fnorm=2.820e+02, Fmax=1.400e+03 (atom 1780)
Step 1585, Epot=-2.361532e+05, Fnorm=2.841e+02, Fmax=2.049e+03 (atom 4330)
Step 1586, Epot=-2.361553e+05, Fnorm=2.843e+02, Fmax=1.912e+03 (atom 4762)
Step 1587, Epot=-2.361572e+05, Fnorm=2.787e+02, Fmax=1.622e+03 (atom 6112)
Step 1588, Epot=-2.361593e+05, Fnorm=2.776e+02, Fmax=1.544e+03 (atom 826)
Step 1589, Epot=-2.361613e+05, Fnorm=2.851e+02, Fmax=1.545e+03 (atom 916)
Step 1590, Epot=-2.361635e+05, Fnorm=2.832e+02, Fmax=1.672e+03 (atom 2836)
Step 1591, Epot=-2.361657e+05, Fnorm=2.901e+02, Fmax=2.475e+03 (atom 2770)
Step 1592, Epot=-2.361679e+05, Fnorm=2.853e+02, Fmax=1.568e+03 (atom 5284)
Step 1593, Epot=-2.361700e+05, Fnorm=2.894e+02, Fmax=1.651e+03 (atom 5608)
Step 1594, Epot=-2.361721e+05, Fnorm=2.821e+02, Fmax=1.734e+03 (atom 5872)
Step 1595, Epot=-2.361742e+05, Fnorm=2.819e+02, Fmax=1.639e+03 (atom 2392)
Step 1596, Epot=-2.361763e+05, Fnorm=2.806e+02, Fmax=1.547e+03 (atom 5740)
Step 1597, Epot=-2.361783e+05, Fnorm=2.881e+02, Fmax=2.023e+03 (atom 1708)
Step 1598, Epot=-2.361804e+05, Fnorm=2.791e+02, Fmax=2.296e+03 (atom 1774)
Step 1599, Epot=-2.361826e+05, Fnorm=2.814e+02, Fmax=2.029e+03 (atom 2770)
Step 1600, Epot=-2.361848e+05, Fnorm=2.903e+02, Fmax=1.567e+03 (atom 3310)
Step 1601, Epot=-2.361869e+05, Fnorm=2.928e+02, Fmax=1.473e+03 (atom 1774)
Step 1602, Epot=-2.361893e+05, Fnorm=2.828e+02, Fmax=2.041e+03 (atom 1906)
Step 1603, Epot=-2.361917e+05, Fnorm=2.824e+02, Fmax=2.300e+03 (atom 1774)
Step 1604, Epot=-2.361939e+05, Fnorm=2.871e+02, Fmax=1.612e+03 (atom 5476)
Step 1605, Epot=-2.361962e+05, Fnorm=2.805e+02, Fmax=1.610e+03 (atom 5476)
Step 1606, Epot=-2.361987e+05, Fnorm=2.893e+02, Fmax=1.547e+03 (atom 3964)
Step 1607, Epot=-2.362013e+05, Fnorm=2.850e+02, Fmax=1.572e+03 (atom 6160)
Step 1608, Epot=-2.362038e+05, Fnorm=2.833e+02, Fmax=1.789e+03 (atom 1768)
Step 1609, Epot=-2.362061e+05, Fnorm=2.856e+02, Fmax=2.024e+03 (atom 1906)
Step 1610, Epot=-2.362085e+05, Fnorm=2.840e+02, Fmax=1.846e+03 (atom 1510)
Step 1611, Epot=-2.362109e+05, Fnorm=2.815e+02, Fmax=1.458e+03 (atom 3934)
Step 1612, Epot=-2.362132e+05, Fnorm=2.882e+02, Fmax=1.618e+03 (atom 916)
Step 1613, Epot=-2.362157e+05, Fnorm=2.827e+02, Fmax=1.524e+03 (atom 3958)
Step 1614, Epot=-2.362181e+05, Fnorm=2.883e+02, Fmax=1.657e+03 (atom 994)
Step 1615, Epot=-2.362206e+05, Fnorm=2.815e+02, Fmax=1.628e+03 (atom 3508)
Step 1616, Epot=-2.362232e+05, Fnorm=2.891e+02, Fmax=1.697e+03 (atom 5230)
Step 1617, Epot=-2.362260e+05, Fnorm=2.877e+02, Fmax=2.007e+03 (atom 1906)
Step 1618, Epot=-2.362288e+05, Fnorm=2.864e+02, Fmax=1.717e+03 (atom 3130)
Step 1619, Epot=-2.362315e+05, Fnorm=2.852e+02, Fmax=1.939e+03 (atom 4498)
Step 1620, Epot=-2.362342e+05, Fnorm=2.802e+02, Fmax=1.509e+03 (atom 730)
Step 1621, Epot=-2.362368e+05, Fnorm=2.843e+02, Fmax=1.616e+03 (atom 5968)
Step 1622, Epot=-2.362393e+05, Fnorm=2.809e+02, Fmax=1.427e+03 (atom 6076)
Step 1623, Epot=-2.362417e+05, Fnorm=2.793e+02, Fmax=1.541e+03 (atom 4156)
Step 1624, Epot=-2.362443e+05, Fnorm=2.805e+02, Fmax=1.534e+03 (atom 3448)
Step 1625, Epot=-2.362467e+05, Fnorm=2.816e+02, Fmax=1.635e+03 (atom 2848)
Step 1626, Epot=-2.362491e+05, Fnorm=2.861e+02, Fmax=1.935e+03 (atom 4498)
Step 1627, Epot=-2.362515e+05, Fnorm=2.864e+02, Fmax=1.493e+03 (atom 5152)
Step 1628, Epot=-2.362537e+05, Fnorm=2.790e+02, Fmax=1.542e+03 (atom 5278)
Step 1629, Epot=-2.362560e+05, Fnorm=2.813e+02, Fmax=1.767e+03 (atom 3310)
Step 1630, Epot=-2.362582e+05, Fnorm=2.871e+02, Fmax=2.013e+03 (atom 1972)
Step 1631, Epot=-2.362605e+05, Fnorm=2.854e+02, Fmax=1.686e+03 (atom 6220)
Step 1632, Epot=-2.362627e+05, Fnorm=2.826e+02, Fmax=2.235e+03 (atom 664)
Step 1633, Epot=-2.362650e+05, Fnorm=2.778e+02, Fmax=1.599e+03 (atom 5428)
Step 1634, Epot=-2.362674e+05, Fnorm=2.868e+02, Fmax=1.649e+03 (atom 1510)
Step 1635, Epot=-2.362698e+05, Fnorm=2.895e+02, Fmax=2.081e+03 (atom 5746)
Step 1636, Epot=-2.362722e+05, Fnorm=2.852e+02, Fmax=1.779e+03 (atom 3310)
Step 1637, Epot=-2.362744e+05, Fnorm=2.869e+02, Fmax=1.650e+03 (atom 3508)
Step 1638, Epot=-2.362765e+05, Fnorm=2.833e+02, Fmax=1.632e+03 (atom 4624)
Step 1639, Epot=-2.362786e+05, Fnorm=2.801e+02, Fmax=1.599e+03 (atom 1402)
Step 1640, Epot=-2.362807e+05, Fnorm=2.755e+02, Fmax=2.004e+03 (atom 1906)
Step 1641, Epot=-2.362826e+05, Fnorm=2.825e+02, Fmax=1.575e+03 (atom 3838)
Step 1642, Epot=-2.362846e+05, Fnorm=2.819e+02, Fmax=1.616e+03 (atom 1618)
Step 1643, Epot=-2.362866e+05, Fnorm=2.864e+02, Fmax=1.961e+03 (atom 4498)
Step 1644, Epot=-2.362885e+05, Fnorm=2.760e+02, Fmax=1.619e+03 (atom 6082)
Step 1645, Epot=-2.362902e+05, Fnorm=2.777e+02, Fmax=2.001e+03 (atom 922)
Step 1646, Epot=-2.362922e+05, Fnorm=2.789e+02, Fmax=1.652e+03 (atom 3442)
Step 1647, Epot=-2.362940e+05, Fnorm=2.851e+02, Fmax=1.791e+03 (atom 1354)
Step 1648, Epot=-2.362959e+05, Fnorm=2.949e+02, Fmax=2.152e+03 (atom 2446)
Step 1649, Epot=-2.362979e+05, Fnorm=2.855e+02, Fmax=2.068e+03 (atom 5878)
Step 1650, Epot=-2.363001e+05, Fnorm=2.896e+02, Fmax=2.077e+03 (atom 4330)
Step 1651, Epot=-2.363021e+05, Fnorm=2.863e+02, Fmax=1.646e+03 (atom 5740)
Step 1652, Epot=-2.363041e+05, Fnorm=2.854e+02, Fmax=1.788e+03 (atom 1354)
Step 1653, Epot=-2.363062e+05, Fnorm=2.813e+02, Fmax=1.970e+03 (atom 4498)
Step 1654, Epot=-2.363083e+05, Fnorm=2.828e+02, Fmax=1.551e+03 (atom 5938)
Step 1655, Epot=-2.363103e+05, Fnorm=2.766e+02, Fmax=1.673e+03 (atom 2392)
Step 1656, Epot=-2.363122e+05, Fnorm=2.796e+02, Fmax=1.424e+03 (atom 2326)
Step 1657, Epot=-2.363140e+05, Fnorm=2.836e+02, Fmax=1.888e+03 (atom 4264)
Step 1658, Epot=-2.363159e+05, Fnorm=2.807e+02, Fmax=1.493e+03 (atom 2836)
Step 1659, Epot=-2.363176e+05, Fnorm=2.835e+02, Fmax=1.971e+03 (atom 4498)
Step 1660, Epot=-2.363194e+05, Fnorm=2.807e+02, Fmax=1.844e+03 (atom 1510)
Step 1661, Epot=-2.363212e+05, Fnorm=2.838e+02, Fmax=1.608e+03 (atom 1504)
Step 1662, Epot=-2.363230e+05, Fnorm=2.835e+02, Fmax=1.754e+03 (atom 3574)
Step 1663, Epot=-2.363248e+05, Fnorm=2.871e+02, Fmax=1.751e+03 (atom 3574)
Step 1664, Epot=-2.363267e+05, Fnorm=2.834e+02, Fmax=2.088e+03 (atom 4564)
Step 1665, Epot=-2.363287e+05, Fnorm=2.795e+02, Fmax=1.551e+03 (atom 5758)
Step 1666, Epot=-2.363306e+05, Fnorm=2.801e+02, Fmax=1.968e+03 (atom 4498)
Step 1667, Epot=-2.363326e+05, Fnorm=2.806e+02, Fmax=2.053e+03 (atom 3376)
Step 1668, Epot=-2.363346e+05, Fnorm=2.854e+02, Fmax=1.973e+03 (atom 1708)
Step 1669, Epot=-2.363364e+05, Fnorm=2.883e+02, Fmax=1.732e+03 (atom 2038)
Step 1670, Epot=-2.363382e+05, Fnorm=2.773e+02, Fmax=1.752e+03 (atom 5428)
Step 1671, Epot=-2.363401e+05, Fnorm=2.807e+02, Fmax=2.414e+03 (atom 3508)
Step 1672, Epot=-2.363419e+05, Fnorm=2.803e+02, Fmax=1.520e+03 (atom 5278)
Step 1673, Epot=-2.363439e+05, Fnorm=2.831e+02, Fmax=1.604e+03 (atom 862)
Step 1674, Epot=-2.363458e+05, Fnorm=2.873e+02, Fmax=1.954e+03 (atom 4498)
Step 1675, Epot=-2.363478e+05, Fnorm=2.810e+02, Fmax=1.396e+03 (atom 3256)
Step 1676, Epot=-2.363497e+05, Fnorm=2.825e+02, Fmax=1.666e+03 (atom 1330)
Step 1677, Epot=-2.363514e+05, Fnorm=2.818e+02, Fmax=1.643e+03 (atom 1510)
Step 1678, Epot=-2.363530e+05, Fnorm=2.769e+02, Fmax=1.667e+03 (atom 3508)
Step 1679, Epot=-2.363550e+05, Fnorm=2.780e+02, Fmax=1.517e+03 (atom 922)
Step 1680, Epot=-2.363566e+05, Fnorm=2.808e+02, Fmax=1.552e+03 (atom 3826)
Step 1681, Epot=-2.363584e+05, Fnorm=2.859e+02, Fmax=2.238e+03 (atom 4696)
Step 1682, Epot=-2.363601e+05, Fnorm=2.810e+02, Fmax=1.772e+03 (atom 1354)
Step 1683, Epot=-2.363620e+05, Fnorm=2.784e+02, Fmax=1.582e+03 (atom 6082)
Step 1684, Epot=-2.363638e+05, Fnorm=2.872e+02, Fmax=1.663e+03 (atom 598)
Step 1685, Epot=-2.363657e+05, Fnorm=2.871e+02, Fmax=1.836e+03 (atom 1510)
Step 1686, Epot=-2.363677e+05, Fnorm=2.876e+02, Fmax=1.581e+03 (atom 2764)
Step 1687, Epot=-2.363695e+05, Fnorm=2.796e+02, Fmax=1.367e+03 (atom 2782)
Step 1688, Epot=-2.363711e+05, Fnorm=2.786e+02, Fmax=1.460e+03 (atom 3826)
Step 1689, Epot=-2.363728e+05, Fnorm=2.754e+02, Fmax=1.424e+03 (atom 5674)
Step 1690, Epot=-2.363745e+05, Fnorm=2.727e+02, Fmax=1.981e+03 (atom 1510)
Step 1691, Epot=-2.363760e+05, Fnorm=2.803e+02, Fmax=1.961e+03 (atom 4564)
Step 1692, Epot=-2.363777e+05, Fnorm=2.740e+02, Fmax=1.567e+03 (atom 916)
Step 1693, Epot=-2.363793e+05, Fnorm=2.754e+02, Fmax=1.583e+03 (atom 1684)
Step 1694, Epot=-2.363809e+05, Fnorm=2.898e+02, Fmax=2.240e+03 (atom 3310)
Step 1695, Epot=-2.363825e+05, Fnorm=2.738e+02, Fmax=1.649e+03 (atom 3508)
Step 1696, Epot=-2.363842e+05, Fnorm=2.805e+02, Fmax=1.646e+03 (atom 3508)
Step 1697, Epot=-2.363858e+05, Fnorm=2.784e+02, Fmax=1.937e+03 (atom 4498)
Step 1698, Epot=-2.363876e+05, Fnorm=2.857e+02, Fmax=2.010e+03 (atom 3376)
Step 1699, Epot=-2.363894e+05, Fnorm=2.752e+02, Fmax=1.558e+03 (atom 5608)
Step 1700, Epot=-2.363910e+05, Fnorm=2.864e+02, Fmax=2.007e+03 (atom 1972)
Step 1701, Epot=-2.363927e+05, Fnorm=2.856e+02, Fmax=2.282e+03 (atom 3130)
Step 1702, Epot=-2.363945e+05, Fnorm=2.875e+02, Fmax=1.749e+03 (atom 2596)
Step 1703, Epot=-2.363962e+05, Fnorm=2.775e+02, Fmax=1.509e+03 (atom 922)
Step 1704, Epot=-2.363980e+05, Fnorm=2.833e+02, Fmax=1.674e+03 (atom 2392)
Step 1705, Epot=-2.363998e+05, Fnorm=2.845e+02, Fmax=1.552e+03 (atom 928)
Step 1706, Epot=-2.364016e+05, Fnorm=2.815e+02, Fmax=1.526e+03 (atom 1132)
Step 1707, Epot=-2.364034e+05, Fnorm=2.864e+02, Fmax=2.005e+03 (atom 4330)
Step 1708, Epot=-2.364052e+05, Fnorm=2.920e+02, Fmax=2.006e+03 (atom 1972)
Step 1709, Epot=-2.364068e+05, Fnorm=2.846e+02, Fmax=1.708e+03 (atom 3310)
Step 1710, Epot=-2.364086e+05, Fnorm=2.816e+02, Fmax=1.589e+03 (atom 5422)
Step 1711, Epot=-2.364103e+05, Fnorm=2.842e+02, Fmax=1.913e+03 (atom 1708)
Step 1712, Epot=-2.364121e+05, Fnorm=2.815e+02, Fmax=2.022e+03 (atom 3376)
Step 1713, Epot=-2.364139e+05, Fnorm=2.799e+02, Fmax=1.506e+03 (atom 5152)
Step 1714, Epot=-2.364158e+05, Fnorm=2.864e+02, Fmax=1.658e+03 (atom 4762)
Step 1715, Epot=-2.364177e+05, Fnorm=2.809e+02, Fmax=1.476e+03 (atom 2836)
Step 1716, Epot=-2.364196e+05, Fnorm=2.819e+02, Fmax=1.832e+03 (atom 5944)
Step 1717, Epot=-2.364215e+05, Fnorm=2.842e+02, Fmax=2.069e+03 (atom 2968)
Step 1718, Epot=-2.364233e+05, Fnorm=2.843e+02, Fmax=2.197e+03 (atom 4696)
Step 1719, Epot=-2.364252e+05, Fnorm=2.841e+02, Fmax=2.198e+03 (atom 4696)
Step 1720, Epot=-2.364271e+05, Fnorm=2.798e+02, Fmax=1.597e+03 (atom 5956)
Step 1721, Epot=-2.364288e+05, Fnorm=2.788e+02, Fmax=2.361e+03 (atom 3508)
Step 1722, Epot=-2.364306e+05, Fnorm=2.755e+02, Fmax=2.265e+03 (atom 3310)
Step 1723, Epot=-2.364323e+05, Fnorm=2.849e+02, Fmax=2.023e+03 (atom 4330)
Step 1724, Epot=-2.364340e+05, Fnorm=2.806e+02, Fmax=1.698e+03 (atom 2836)
Step 1725, Epot=-2.364357e+05, Fnorm=2.760e+02, Fmax=1.999e+03 (atom 2194)
Step 1726, Epot=-2.364376e+05, Fnorm=2.748e+02, Fmax=1.994e+03 (atom 2194)
Step 1727, Epot=-2.364392e+05, Fnorm=2.824e+02, Fmax=1.661e+03 (atom 1336)
Step 1728, Epot=-2.364409e+05, Fnorm=2.754e+02, Fmax=1.879e+03 (atom 4498)
Step 1729, Epot=-2.364426e+05, Fnorm=2.814e+02, Fmax=1.883e+03 (atom 3574)
Step 1730, Epot=-2.364441e+05, Fnorm=2.760e+02, Fmax=1.881e+03 (atom 3574)
Step 1731, Epot=-2.364457e+05, Fnorm=2.799e+02, Fmax=1.781e+03 (atom 1192)
Step 1732, Epot=-2.364474e+05, Fnorm=2.886e+02, Fmax=1.649e+03 (atom 5422)
Step 1733, Epot=-2.364489e+05, Fnorm=2.879e+02, Fmax=1.629e+03 (atom 3508)
Step 1734, Epot=-2.364504e+05, Fnorm=2.781e+02, Fmax=1.872e+03 (atom 4498)
Step 1735, Epot=-2.364520e+05, Fnorm=2.764e+02, Fmax=1.490e+03 (atom 4498)
Step 1736, Epot=-2.364535e+05, Fnorm=2.827e+02, Fmax=1.663e+03 (atom 2392)
Step 1737, Epot=-2.364549e+05, Fnorm=2.846e+02, Fmax=1.512e+03 (atom 4996)
Step 1738, Epot=-2.364565e+05, Fnorm=2.794e+02, Fmax=1.555e+03 (atom 4996)
Step 1739, Epot=-2.364580e+05, Fnorm=2.846e+02, Fmax=1.725e+03 (atom 4156)
Step 1740, Epot=-2.364594e+05, Fnorm=2.901e+02, Fmax=1.742e+03 (atom 3520)
Step 1741, Epot=-2.364609e+05, Fnorm=2.848e+02, Fmax=1.525e+03 (atom 1774)
Step 1742, Epot=-2.364625e+05, Fnorm=2.749e+02, Fmax=1.529e+03 (atom 5740)
Step 1743, Epot=-2.364639e+05, Fnorm=2.785e+02, Fmax=1.510e+03 (atom 5482)
Step 1744, Epot=-2.364653e+05, Fnorm=2.785e+02, Fmax=1.537e+03 (atom 1642)
Step 1745, Epot=-2.364669e+05, Fnorm=2.800e+02, Fmax=1.539e+03 (atom 1642)
Step 1746, Epot=-2.364684e+05, Fnorm=2.866e+02, Fmax=1.466e+03 (atom 6088)
Step 1747, Epot=-2.364699e+05, Fnorm=2.900e+02, Fmax=2.484e+03 (atom 2770)
Step 1748, Epot=-2.364714e+05, Fnorm=2.805e+02, Fmax=1.844e+03 (atom 4498)
Step 1749, Epot=-2.364728e+05, Fnorm=2.788e+02, Fmax=1.524e+03 (atom 5740)
Step 1750, Epot=-2.364743e+05, Fnorm=2.855e+02, Fmax=1.534e+03 (atom 1774)
Step 1751, Epot=-2.364758e+05, Fnorm=2.846e+02, Fmax=1.843e+03 (atom 4264)
Step 1752, Epot=-2.364773e+05, Fnorm=2.795e+02, Fmax=1.496e+03 (atom 2710)
Step 1753, Epot=-2.364788e+05, Fnorm=2.801e+02, Fmax=1.560e+03 (atom 1642)
Step 1754, Epot=-2.364802e+05, Fnorm=2.828e+02, Fmax=1.723e+03 (atom 436)
Step 1755, Epot=-2.364818e+05, Fnorm=2.894e+02, Fmax=2.114e+03 (atom 2968)
Step 1756, Epot=-2.364834e+05, Fnorm=2.881e+02, Fmax=2.110e+03 (atom 5878)
Step 1757, Epot=-2.364850e+05, Fnorm=2.819e+02, Fmax=2.109e+03 (atom 5878)
Step 1758, Epot=-2.364866e+05, Fnorm=2.760e+02, Fmax=1.437e+03 (atom 4696)
Step 1759, Epot=-2.364881e+05, Fnorm=2.835e+02, Fmax=1.524e+03 (atom 1090)
Step 1760, Epot=-2.364897e+05, Fnorm=2.834e+02, Fmax=1.631e+03 (atom 1516)
Step 1761, Epot=-2.364913e+05, Fnorm=2.807e+02, Fmax=2.384e+03 (atom 3508)
Step 1762, Epot=-2.364927e+05, Fnorm=2.758e+02, Fmax=1.675e+03 (atom 2392)
Step 1763, Epot=-2.364941e+05, Fnorm=2.800e+02, Fmax=1.601e+03 (atom 3310)
Step 1764, Epot=-2.364957e+05, Fnorm=2.815e+02, Fmax=1.844e+03 (atom 4498)
Step 1765, Epot=-2.364971e+05, Fnorm=2.847e+02, Fmax=1.526e+03 (atom 862)
Step 1766, Epot=-2.364986e+05, Fnorm=2.875e+02, Fmax=1.574e+03 (atom 6112)
Step 1767, Epot=-2.365000e+05, Fnorm=2.868e+02, Fmax=2.035e+03 (atom 4564)
Step 1768, Epot=-2.365014e+05, Fnorm=2.802e+02, Fmax=1.574e+03 (atom 6112)
Step 1769, Epot=-2.365028e+05, Fnorm=2.849e+02, Fmax=1.732e+03 (atom 3520)
Step 1770, Epot=-2.365040e+05, Fnorm=2.769e+02, Fmax=1.707e+03 (atom 3130)
Step 1771, Epot=-2.365053e+05, Fnorm=2.778e+02, Fmax=1.639e+03 (atom 5692)
Step 1772, Epot=-2.365067e+05, Fnorm=2.789e+02, Fmax=1.856e+03 (atom 4498)
Step 1773, Epot=-2.365081e+05, Fnorm=2.773e+02, Fmax=1.529e+03 (atom 5476)
Step 1774, Epot=-2.365094e+05, Fnorm=2.876e+02, Fmax=2.052e+03 (atom 3376)
Step 1775, Epot=-2.365108e+05, Fnorm=2.851e+02, Fmax=2.048e+03 (atom 3376)
Step 1776, Epot=-2.365121e+05, Fnorm=2.859e+02, Fmax=1.815e+03 (atom 664)
Step 1777, Epot=-2.365133e+05, Fnorm=2.803e+02, Fmax=1.788e+03 (atom 3310)
Step 1778, Epot=-2.365147e+05, Fnorm=2.817e+02, Fmax=1.493e+03 (atom 5152)
Step 1779, Epot=-2.365162e+05, Fnorm=2.818e+02, Fmax=1.472e+03 (atom 1402)
Step 1780, Epot=-2.365175e+05, Fnorm=2.829e+02, Fmax=2.265e+03 (atom 4696)
Step 1781, Epot=-2.365190e+05, Fnorm=2.782e+02, Fmax=1.615e+03 (atom 1066)
Step 1782, Epot=-2.365203e+05, Fnorm=2.857e+02, Fmax=1.904e+03 (atom 5746)
Step 1783, Epot=-2.365216e+05, Fnorm=2.736e+02, Fmax=1.530e+03 (atom 1708)
Step 1784, Epot=-2.365230e+05, Fnorm=2.748e+02, Fmax=1.666e+03 (atom 2038)
Step 1785, Epot=-2.365244e+05, Fnorm=2.828e+02, Fmax=2.384e+03 (atom 2770)
Step 1786, Epot=-2.365258e+05, Fnorm=2.820e+02, Fmax=1.884e+03 (atom 4498)
Step 1787, Epot=-2.365272e+05, Fnorm=2.806e+02, Fmax=1.885e+03 (atom 4498)
Step 1788, Epot=-2.365286e+05, Fnorm=2.786e+02, Fmax=1.756e+03 (atom 2836)
Step 1789, Epot=-2.365299e+05, Fnorm=2.785e+02, Fmax=1.468e+03 (atom 6160)
Step 1790, Epot=-2.365314e+05, Fnorm=2.809e+02, Fmax=1.927e+03 (atom 3574)
Step 1791, Epot=-2.365328e+05, Fnorm=2.847e+02, Fmax=2.210e+03 (atom 2446)
Step 1792, Epot=-2.365341e+05, Fnorm=2.822e+02, Fmax=1.887e+03 (atom 5878)
Step 1793, Epot=-2.365356e+05, Fnorm=2.856e+02, Fmax=1.918e+03 (atom 2770)
Step 1794, Epot=-2.365371e+05, Fnorm=2.856e+02, Fmax=1.669e+03 (atom 1126)
Step 1795, Epot=-2.365385e+05, Fnorm=2.896e+02, Fmax=1.748e+03 (atom 1354)
Step 1796, Epot=-2.365400e+05, Fnorm=2.815e+02, Fmax=1.645e+03 (atom 6112)
Step 1797, Epot=-2.365416e+05, Fnorm=2.735e+02, Fmax=1.677e+03 (atom 2392)
Step 1798, Epot=-2.365429e+05, Fnorm=2.760e+02, Fmax=1.931e+03 (atom 3574)
Step 1799, Epot=-2.365443e+05, Fnorm=2.838e+02, Fmax=1.930e+03 (atom 3574)
Step 1800, Epot=-2.365458e+05, Fnorm=2.803e+02, Fmax=1.600e+03 (atom 1336)
Step 1801, Epot=-2.365471e+05, Fnorm=2.780e+02, Fmax=1.832e+03 (atom 664)
Step 1802, Epot=-2.365485e+05, Fnorm=2.820e+02, Fmax=1.912e+03 (atom 4498)
Step 1803, Epot=-2.365500e+05, Fnorm=2.825e+02, Fmax=1.713e+03 (atom 2836)
Step 1804, Epot=-2.365516e+05, Fnorm=2.830e+02, Fmax=1.611e+03 (atom 862)
Step 1805, Epot=-2.365531e+05, Fnorm=2.867e+02, Fmax=1.757e+03 (atom 1354)
Step 1806, Epot=-2.365545e+05, Fnorm=2.749e+02, Fmax=1.424e+03 (atom 1852)
Step 1807, Epot=-2.365559e+05, Fnorm=2.797e+02, Fmax=2.278e+03 (atom 3196)
Step 1808, Epot=-2.365573e+05, Fnorm=2.757e+02, Fmax=1.872e+03 (atom 5878)
Step 1809, Epot=-2.365588e+05, Fnorm=2.796e+02, Fmax=1.697e+03 (atom 1768)
Step 1810, Epot=-2.365604e+05, Fnorm=2.854e+02, Fmax=1.809e+03 (atom 1192)
Step 1811, Epot=-2.365620e+05, Fnorm=2.867e+02, Fmax=2.048e+03 (atom 3376)
Step 1812, Epot=-2.365635e+05, Fnorm=2.822e+02, Fmax=2.048e+03 (atom 3376)
Step 1813, Epot=-2.365651e+05, Fnorm=2.809e+02, Fmax=2.075e+03 (atom 2968)
Step 1814, Epot=-2.365665e+05, Fnorm=2.834e+02, Fmax=1.859e+03 (atom 1510)
Step 1815, Epot=-2.365680e+05, Fnorm=2.806e+02, Fmax=1.627e+03 (atom 1132)
Step 1816, Epot=-2.365696e+05, Fnorm=2.826e+02, Fmax=1.688e+03 (atom 2848)
Step 1817, Epot=-2.365712e+05, Fnorm=2.911e+02, Fmax=1.929e+03 (atom 4498)
Step 1818, Epot=-2.365725e+05, Fnorm=2.861e+02, Fmax=1.679e+03 (atom 3442)
Step 1819, Epot=-2.365740e+05, Fnorm=2.804e+02, Fmax=1.610e+03 (atom 5938)
Step 1820, Epot=-2.365756e+05, Fnorm=2.827e+02, Fmax=1.728e+03 (atom 2770)
Step 1821, Epot=-2.365771e+05, Fnorm=2.832e+02, Fmax=1.732e+03 (atom 2770)
Step 1822, Epot=-2.365789e+05, Fnorm=2.808e+02, Fmax=1.730e+03 (atom 5428)
Step 1823, Epot=-2.365805e+05, Fnorm=2.917e+02, Fmax=1.710e+03 (atom 2836)
Step 1824, Epot=-2.365821e+05, Fnorm=2.878e+02, Fmax=1.988e+03 (atom 1972)
Step 1825, Epot=-2.365837e+05, Fnorm=2.812e+02, Fmax=1.580e+03 (atom 916)
Step 1826, Epot=-2.365852e+05, Fnorm=2.825e+02, Fmax=2.267e+03 (atom 3310)
Step 1827, Epot=-2.365868e+05, Fnorm=2.799e+02, Fmax=2.089e+03 (atom 2968)
Step 1828, Epot=-2.365883e+05, Fnorm=2.959e+02, Fmax=1.861e+03 (atom 4564)
Step 1829, Epot=-2.365899e+05, Fnorm=2.840e+02, Fmax=1.770e+03 (atom 436)
Step 1830, Epot=-2.365916e+05, Fnorm=2.833e+02, Fmax=1.809e+03 (atom 2596)
Step 1831, Epot=-2.365930e+05, Fnorm=2.889e+02, Fmax=1.671e+03 (atom 3508)
Step 1832, Epot=-2.365947e+05, Fnorm=2.781e+02, Fmax=1.523e+03 (atom 1774)
Step 1833, Epot=-2.365964e+05, Fnorm=2.846e+02, Fmax=1.630e+03 (atom 3910)
Step 1834, Epot=-2.365982e+05, Fnorm=2.850e+02, Fmax=1.580e+03 (atom 862)
Step 1835, Epot=-2.365998e+05, Fnorm=2.820e+02, Fmax=1.972e+03 (atom 922)
Step 1836, Epot=-2.366016e+05, Fnorm=2.761e+02, Fmax=1.775e+03 (atom 436)
Step 1837, Epot=-2.366033e+05, Fnorm=2.813e+02, Fmax=1.755e+03 (atom 1330)
Step 1838, Epot=-2.366049e+05, Fnorm=2.848e+02, Fmax=1.753e+03 (atom 1330)
Step 1839, Epot=-2.366067e+05, Fnorm=2.829e+02, Fmax=1.667e+03 (atom 5494)
Step 1840, Epot=-2.366083e+05, Fnorm=2.838e+02, Fmax=1.691e+03 (atom 6082)
Step 1841, Epot=-2.366098e+05, Fnorm=2.825e+02, Fmax=1.577e+03 (atom 5608)
Step 1842, Epot=-2.366113e+05, Fnorm=2.819e+02, Fmax=1.912e+03 (atom 4096)
Step 1843, Epot=-2.366128e+05, Fnorm=2.800e+02, Fmax=1.742e+03 (atom 1354)
Step 1844, Epot=-2.366144e+05, Fnorm=2.754e+02, Fmax=1.781e+03 (atom 436)
Step 1845, Epot=-2.366158e+05, Fnorm=2.808e+02, Fmax=1.642e+03 (atom 994)
Step 1846, Epot=-2.366172e+05, Fnorm=2.859e+02, Fmax=1.795e+03 (atom 1192)
Step 1847, Epot=-2.366187e+05, Fnorm=2.810e+02, Fmax=1.901e+03 (atom 4564)
Step 1848, Epot=-2.366201e+05, Fnorm=2.792e+02, Fmax=1.639e+03 (atom 586)
Step 1849, Epot=-2.366215e+05, Fnorm=2.781e+02, Fmax=1.437e+03 (atom 3826)
Step 1850, Epot=-2.366230e+05, Fnorm=2.766e+02, Fmax=1.579e+03 (atom 3448)
Step 1851, Epot=-2.366245e+05, Fnorm=2.801e+02, Fmax=1.510e+03 (atom 862)
Step 1852, Epot=-2.366260e+05, Fnorm=2.847e+02, Fmax=1.551e+03 (atom 3196)
Step 1853, Epot=-2.366274e+05, Fnorm=2.830e+02, Fmax=1.496e+03 (atom 4624)
Step 1854, Epot=-2.366289e+05, Fnorm=2.833e+02, Fmax=1.489e+03 (atom 4498)
Step 1855, Epot=-2.366304e+05, Fnorm=2.831e+02, Fmax=1.434e+03 (atom 4696)
Step 1856, Epot=-2.366319e+05, Fnorm=2.768e+02, Fmax=1.470e+03 (atom 3826)
Step 1857, Epot=-2.366335e+05, Fnorm=2.854e+02, Fmax=2.039e+03 (atom 1972)
Step 1858, Epot=-2.366348e+05, Fnorm=2.783e+02, Fmax=1.391e+03 (atom 5716)
Step 1859, Epot=-2.366362e+05, Fnorm=2.712e+02, Fmax=1.577e+03 (atom 5608)
Step 1860, Epot=-2.366375e+05, Fnorm=2.750e+02, Fmax=1.486e+03 (atom 4630)
Step 1861, Epot=-2.366388e+05, Fnorm=2.839e+02, Fmax=1.859e+03 (atom 466)
Step 1862, Epot=-2.366401e+05, Fnorm=2.804e+02, Fmax=1.566e+03 (atom 3826)
Step 1863, Epot=-2.366416e+05, Fnorm=2.780e+02, Fmax=1.753e+03 (atom 5338)
Step 1864, Epot=-2.366429e+05, Fnorm=2.809e+02, Fmax=2.062e+03 (atom 4330)
Step 1865, Epot=-2.366443e+05, Fnorm=2.789e+02, Fmax=1.748e+03 (atom 1126)
Step 1866, Epot=-2.366458e+05, Fnorm=2.845e+02, Fmax=1.562e+03 (atom 5476)
Step 1867, Epot=-2.366472e+05, Fnorm=2.756e+02, Fmax=1.656e+03 (atom 2392)
Step 1868, Epot=-2.366487e+05, Fnorm=2.813e+02, Fmax=1.653e+03 (atom 2392)
Step 1869, Epot=-2.366501e+05, Fnorm=2.820e+02, Fmax=1.663e+03 (atom 5878)
Step 1870, Epot=-2.366515e+05, Fnorm=2.794e+02, Fmax=1.663e+03 (atom 3508)
Step 1871, Epot=-2.366530e+05, Fnorm=2.800e+02, Fmax=1.760e+03 (atom 3310)
Step 1872, Epot=-2.366544e+05, Fnorm=2.829e+02, Fmax=1.908e+03 (atom 5680)
Step 1873, Epot=-2.366559e+05, Fnorm=2.812e+02, Fmax=1.559e+03 (atom 5476)
Step 1874, Epot=-2.366574e+05, Fnorm=2.817e+02, Fmax=1.562e+03 (atom 334)
Step 1875, Epot=-2.366588e+05, Fnorm=2.722e+02, Fmax=1.773e+03 (atom 1192)
Step 1876, Epot=-2.366601e+05, Fnorm=2.777e+02, Fmax=1.651e+03 (atom 2392)
Step 1877, Epot=-2.366614e+05, Fnorm=2.784e+02, Fmax=1.583e+03 (atom 1258)
Step 1878, Epot=-2.366627e+05, Fnorm=2.817e+02, Fmax=1.644e+03 (atom 1504)
Step 1879, Epot=-2.366639e+05, Fnorm=2.773e+02, Fmax=1.663e+03 (atom 3508)
Step 1880, Epot=-2.366651e+05, Fnorm=2.801e+02, Fmax=1.884e+03 (atom 3574)
Step 1881, Epot=-2.366663e+05, Fnorm=2.872e+02, Fmax=1.960e+03 (atom 2194)
Step 1882, Epot=-2.366677e+05, Fnorm=2.797e+02, Fmax=1.498e+03 (atom 922)
Step 1883, Epot=-2.366690e+05, Fnorm=2.855e+02, Fmax=1.675e+03 (atom 3934)
Step 1884, Epot=-2.366703e+05, Fnorm=2.854e+02, Fmax=1.564e+03 (atom 5152)
Step 1885, Epot=-2.366716e+05, Fnorm=2.849e+02, Fmax=2.147e+03 (atom 2446)
Step 1886, Epot=-2.366729e+05, Fnorm=2.822e+02, Fmax=2.385e+03 (atom 2770)
Step 1887, Epot=-2.366741e+05, Fnorm=2.749e+02, Fmax=1.391e+03 (atom 3898)
Step 1888, Epot=-2.366753e+05, Fnorm=2.766e+02, Fmax=1.441e+03 (atom 5884)
Step 1889, Epot=-2.366766e+05, Fnorm=2.802e+02, Fmax=1.604e+03 (atom 1258)
Step 1890, Epot=-2.366778e+05, Fnorm=2.791e+02, Fmax=1.440e+03 (atom 6226)
Step 1891, Epot=-2.366790e+05, Fnorm=2.832e+02, Fmax=1.456e+03 (atom 6226)
Step 1892, Epot=-2.366801e+05, Fnorm=2.795e+02, Fmax=1.750e+03 (atom 436)
Step 1893, Epot=-2.366813e+05, Fnorm=2.842e+02, Fmax=1.581e+03 (atom 1306)
Step 1894, Epot=-2.366825e+05, Fnorm=2.796e+02, Fmax=1.576e+03 (atom 3310)
Step 1895, Epot=-2.366836e+05, Fnorm=2.801e+02, Fmax=1.650e+03 (atom 1504)
Step 1896, Epot=-2.366848e+05, Fnorm=2.789e+02, Fmax=1.372e+03 (atom 1780)
Step 1897, Epot=-2.366859e+05, Fnorm=2.868e+02, Fmax=1.502e+03 (atom 2044)
Step 1898, Epot=-2.366870e+05, Fnorm=2.791e+02, Fmax=1.506e+03 (atom 922)
Step 1899, Epot=-2.366882e+05, Fnorm=2.752e+02, Fmax=1.851e+03 (atom 3574)
Step 1900, Epot=-2.366893e+05, Fnorm=2.799e+02, Fmax=1.601e+03 (atom 3442)
Step 1901, Epot=-2.366906e+05, Fnorm=2.882e+02, Fmax=1.422e+03 (atom 2596)
Step 1902, Epot=-2.366920e+05, Fnorm=2.811e+02, Fmax=1.498e+03 (atom 5032)
Step 1903, Epot=-2.366935e+05, Fnorm=2.856e+02, Fmax=1.655e+03 (atom 1402)
Step 1904, Epot=-2.366949e+05, Fnorm=2.829e+02, Fmax=1.747e+03 (atom 436)
Step 1905, Epot=-2.366962e+05, Fnorm=2.789e+02, Fmax=1.664e+03 (atom 3520)
Step 1906, Epot=-2.366976e+05, Fnorm=2.820e+02, Fmax=2.018e+03 (atom 3376)
Step 1907, Epot=-2.366990e+05, Fnorm=2.853e+02, Fmax=1.988e+03 (atom 1972)
Step 1908, Epot=-2.367004e+05, Fnorm=2.857e+02, Fmax=1.486e+03 (atom 5746)
Step 1909, Epot=-2.367017e+05, Fnorm=2.763e+02, Fmax=1.628e+03 (atom 916)
Step 1910, Epot=-2.367030e+05, Fnorm=2.777e+02, Fmax=1.586e+03 (atom 3130)
Step 1911, Epot=-2.367044e+05, Fnorm=2.843e+02, Fmax=1.532e+03 (atom 5476)
Step 1912, Epot=-2.367056e+05, Fnorm=2.749e+02, Fmax=1.725e+03 (atom 3310)
Step 1913, Epot=-2.367068e+05, Fnorm=2.783e+02, Fmax=1.590e+03 (atom 5164)
Step 1914, Epot=-2.367081e+05, Fnorm=2.833e+02, Fmax=1.606e+03 (atom 1330)
Step 1915, Epot=-2.367095e+05, Fnorm=2.825e+02, Fmax=1.591e+03 (atom 5428)
Step 1916, Epot=-2.367108e+05, Fnorm=2.866e+02, Fmax=1.780e+03 (atom 3574)
Step 1917, Epot=-2.367122e+05, Fnorm=2.832e+02, Fmax=1.625e+03 (atom 916)
Step 1918, Epot=-2.367138e+05, Fnorm=2.879e+02, Fmax=1.749e+03 (atom 3520)
Step 1919, Epot=-2.367153e+05, Fnorm=2.789e+02, Fmax=1.445e+03 (atom 4336)
Step 1920, Epot=-2.367169e+05, Fnorm=2.812e+02, Fmax=1.827e+03 (atom 3898)
Step 1921, Epot=-2.367185e+05, Fnorm=2.840e+02, Fmax=1.826e+03 (atom 3898)
Step 1922, Epot=-2.367201e+05, Fnorm=2.873e+02, Fmax=1.819e+03 (atom 3898)
Step 1923, Epot=-2.367217e+05, Fnorm=2.872e+02, Fmax=1.970e+03 (atom 2836)
Step 1924, Epot=-2.367233e+05, Fnorm=2.842e+02, Fmax=1.620e+03 (atom 2848)
Step 1925, Epot=-2.367249e+05, Fnorm=2.863e+02, Fmax=1.728e+03 (atom 3574)
Step 1926, Epot=-2.367264e+05, Fnorm=2.770e+02, Fmax=1.891e+03 (atom 1510)
Step 1927, Epot=-2.367278e+05, Fnorm=2.824e+02, Fmax=1.536e+03 (atom 3448)
Step 1928, Epot=-2.367292e+05, Fnorm=2.777e+02, Fmax=1.678e+03 (atom 5152)
Step 1929, Epot=-2.367308e+05, Fnorm=2.780e+02, Fmax=1.363e+03 (atom 5350)
Step 1930, Epot=-2.367322e+05, Fnorm=2.830e+02, Fmax=1.561e+03 (atom 4630)
Step 1931, Epot=-2.367337e+05, Fnorm=2.825e+02, Fmax=1.646e+03 (atom 2392)
Step 1932, Epot=-2.367350e+05, Fnorm=2.788e+02, Fmax=1.770e+03 (atom 436)
Step 1933, Epot=-2.367365e+05, Fnorm=2.769e+02, Fmax=1.597e+03 (atom 916)
Step 1934, Epot=-2.367379e+05, Fnorm=2.789e+02, Fmax=1.918e+03 (atom 370)
Step 1935, Epot=-2.367393e+05, Fnorm=2.835e+02, Fmax=2.120e+03 (atom 2968)
Step 1936, Epot=-2.367410e+05, Fnorm=2.790e+02, Fmax=2.121e+03 (atom 2968)
Step 1937, Epot=-2.367425e+05, Fnorm=2.843e+02, Fmax=1.877e+03 (atom 664)
Step 1938, Epot=-2.367440e+05, Fnorm=2.871e+02, Fmax=1.735e+03 (atom 1774)
Step 1939, Epot=-2.367456e+05, Fnorm=2.824e+02, Fmax=1.596e+03 (atom 3934)
Step 1940, Epot=-2.367471e+05, Fnorm=2.862e+02, Fmax=1.970e+03 (atom 1510)
Step 1941, Epot=-2.367485e+05, Fnorm=2.824e+02, Fmax=1.818e+03 (atom 4564)
Step 1942, Epot=-2.367499e+05, Fnorm=2.836e+02, Fmax=1.922e+03 (atom 2194)
Step 1943, Epot=-2.367514e+05, Fnorm=2.768e+02, Fmax=1.536e+03 (atom 5476)
Step 1944, Epot=-2.367528e+05, Fnorm=2.839e+02, Fmax=1.957e+03 (atom 4498)
Step 1945, Epot=-2.367542e+05, Fnorm=2.805e+02, Fmax=2.070e+03 (atom 5878)
Step 1946, Epot=-2.367556e+05, Fnorm=2.812e+02, Fmax=1.708e+03 (atom 3520)
Step 1947, Epot=-2.367570e+05, Fnorm=2.794e+02, Fmax=1.700e+03 (atom 2770)
Step 1948, Epot=-2.367584e+05, Fnorm=2.813e+02, Fmax=1.517e+03 (atom 1774)
Step 1949, Epot=-2.367598e+05, Fnorm=2.822e+02, Fmax=1.845e+03 (atom 4564)
Step 1950, Epot=-2.367612e+05, Fnorm=2.853e+02, Fmax=1.710e+03 (atom 3520)
Step 1951, Epot=-2.367627e+05, Fnorm=2.842e+02, Fmax=1.965e+03 (atom 5680)
Step 1952, Epot=-2.367641e+05, Fnorm=2.795e+02, Fmax=1.531e+03 (atom 586)
Step 1953, Epot=-2.367653e+05, Fnorm=2.742e+02, Fmax=1.646e+03 (atom 466)
Step 1954, Epot=-2.367666e+05, Fnorm=2.809e+02, Fmax=1.682e+03 (atom 3508)
Step 1955, Epot=-2.367679e+05, Fnorm=2.788e+02, Fmax=1.390e+03 (atom 2764)
Step 1956, Epot=-2.367692e+05, Fnorm=2.854e+02, Fmax=1.727e+03 (atom 3520)
Step 1957, Epot=-2.367706e+05, Fnorm=2.838e+02, Fmax=2.140e+03 (atom 2446)
Step 1958, Epot=-2.367720e+05, Fnorm=2.886e+02, Fmax=1.967e+03 (atom 5680)
Step 1959, Epot=-2.367733e+05, Fnorm=2.767e+02, Fmax=1.668e+03 (atom 1504)
Step 1960, Epot=-2.367747e+05, Fnorm=2.734e+02, Fmax=1.412e+03 (atom 4030)
Step 1961, Epot=-2.367759e+05, Fnorm=2.754e+02, Fmax=1.674e+03 (atom 5152)
Step 1962, Epot=-2.367772e+05, Fnorm=2.762e+02, Fmax=1.672e+03 (atom 5152)
Step 1963, Epot=-2.367784e+05, Fnorm=2.818e+02, Fmax=1.867e+03 (atom 664)
Step 1964, Epot=-2.367798e+05, Fnorm=2.825e+02, Fmax=1.872e+03 (atom 4564)
Step 1965, Epot=-2.367810e+05, Fnorm=2.866e+02, Fmax=1.899e+03 (atom 4498)
Step 1966, Epot=-2.367822e+05, Fnorm=2.876e+02, Fmax=1.667e+03 (atom 3574)
Step 1967, Epot=-2.367835e+05, Fnorm=2.797e+02, Fmax=1.480e+03 (atom 3826)
Step 1968, Epot=-2.367848e+05, Fnorm=2.779e+02, Fmax=1.588e+03 (atom 598)
Step 1969, Epot=-2.367860e+05, Fnorm=2.822e+02, Fmax=2.068e+03 (atom 4330)
Step 1970, Epot=-2.367872e+05, Fnorm=2.824e+02, Fmax=2.067e+03 (atom 4330)
Step 1971, Epot=-2.367885e+05, Fnorm=2.818e+02, Fmax=1.557e+03 (atom 4630)
Step 1972, Epot=-2.367897e+05, Fnorm=2.814e+02, Fmax=1.651e+03 (atom 2392)
Step 1973, Epot=-2.367909e+05, Fnorm=2.782e+02, Fmax=1.998e+03 (atom 1708)
Step 1974, Epot=-2.367921e+05, Fnorm=2.780e+02, Fmax=1.901e+03 (atom 1510)
Step 1975, Epot=-2.367934e+05, Fnorm=2.753e+02, Fmax=1.598e+03 (atom 3910)
Step 1976, Epot=-2.367947e+05, Fnorm=2.805e+02, Fmax=1.567e+03 (atom 3442)
Step 1977, Epot=-2.367958e+05, Fnorm=2.810e+02, Fmax=1.484e+03 (atom 3964)
Step 1978, Epot=-2.367971e+05, Fnorm=2.782e+02, Fmax=1.648e+03 (atom 5878)
Step 1979, Epot=-2.367983e+05, Fnorm=2.802e+02, Fmax=1.703e+03 (atom 2044)
Step 1980, Epot=-2.367995e+05, Fnorm=2.803e+02, Fmax=1.872e+03 (atom 4564)
Step 1981, Epot=-2.368006e+05, Fnorm=2.800e+02, Fmax=1.947e+03 (atom 922)
Step 1982, Epot=-2.368017e+05, Fnorm=2.796e+02, Fmax=1.641e+03 (atom 2392)
Step 1983, Epot=-2.368028e+05, Fnorm=2.833e+02, Fmax=1.688e+03 (atom 3508)
Step 1984, Epot=-2.368039e+05, Fnorm=2.824e+02, Fmax=2.176e+03 (atom 2326)
Step 1985, Epot=-2.368050e+05, Fnorm=2.768e+02, Fmax=1.572e+03 (atom 3910)
Step 1986, Epot=-2.368060e+05, Fnorm=2.809e+02, Fmax=1.573e+03 (atom 3910)
Step 1987, Epot=-2.368070e+05, Fnorm=2.726e+02, Fmax=1.590e+03 (atom 1504)
Step 1988, Epot=-2.368082e+05, Fnorm=2.793e+02, Fmax=1.501e+03 (atom 1708)
Step 1989, Epot=-2.368092e+05, Fnorm=2.877e+02, Fmax=2.124e+03 (atom 2446)
Step 1990, Epot=-2.368104e+05, Fnorm=2.811e+02, Fmax=1.424e+03 (atom 1516)
Step 1991, Epot=-2.368116e+05, Fnorm=2.785e+02, Fmax=1.693e+03 (atom 370)
Step 1992, Epot=-2.368127e+05, Fnorm=2.759e+02, Fmax=1.719e+03 (atom 2836)
Step 1993, Epot=-2.368139e+05, Fnorm=2.844e+02, Fmax=1.642e+03 (atom 4006)
Step 1994, Epot=-2.368152e+05, Fnorm=2.846e+02, Fmax=1.642e+03 (atom 4006)
Step 1995, Epot=-2.368165e+05, Fnorm=2.813e+02, Fmax=1.777e+03 (atom 562)
Step 1996, Epot=-2.368177e+05, Fnorm=2.790e+02, Fmax=1.817e+03 (atom 1768)
Step 1997, Epot=-2.368188e+05, Fnorm=2.785e+02, Fmax=1.421e+03 (atom 5884)
Step 1998, Epot=-2.368201e+05, Fnorm=2.826e+02, Fmax=2.046e+03 (atom 4330)
Step 1999, Epot=-2.368214e+05, Fnorm=2.843e+02, Fmax=1.959e+03 (atom 1972)
Step 2000, Epot=-2.368227e+05, Fnorm=2.851e+02, Fmax=1.631e+03 (atom 5608)
Step 2001, Epot=-2.368239e+05, Fnorm=2.742e+02, Fmax=1.580e+03 (atom 3448)
Step 2002, Epot=-2.368250e+05, Fnorm=2.757e+02, Fmax=1.486e+03 (atom 5938)
Step 2003, Epot=-2.368261e+05, Fnorm=2.805e+02, Fmax=1.642e+03 (atom 5428)
Step 2004, Epot=-2.368274e+05, Fnorm=2.756e+02, Fmax=1.533e+03 (atom 6082)
Step 2005, Epot=-2.368284e+05, Fnorm=2.827e+02, Fmax=1.681e+03 (atom 3508)
Step 2006, Epot=-2.368296e+05, Fnorm=2.795e+02, Fmax=1.642e+03 (atom 1330)
Step 2007, Epot=-2.368306e+05, Fnorm=2.785e+02, Fmax=1.421e+03 (atom 5848)
Step 2008, Epot=-2.368316e+05, Fnorm=2.742e+02, Fmax=1.814e+03 (atom 1510)
Step 2009, Epot=-2.368327e+05, Fnorm=2.774e+02, Fmax=1.843e+03 (atom 5482)
Step 2010, Epot=-2.368337e+05, Fnorm=2.741e+02, Fmax=2.048e+03 (atom 4762)
Step 2011, Epot=-2.368348e+05, Fnorm=2.832e+02, Fmax=2.011e+03 (atom 2194)
Step 2012, Epot=-2.368360e+05, Fnorm=2.874e+02, Fmax=1.683e+03 (atom 3508)
Step 2013, Epot=-2.368371e+05, Fnorm=2.840e+02, Fmax=1.502e+03 (atom 1330)
Step 2014, Epot=-2.368384e+05, Fnorm=2.854e+02, Fmax=1.540e+03 (atom 5746)
Step 2015, Epot=-2.368395e+05, Fnorm=2.813e+02, Fmax=1.671e+03 (atom 3574)
Step 2016, Epot=-2.368406e+05, Fnorm=2.735e+02, Fmax=1.499e+03 (atom 5938)
Step 2017, Epot=-2.368418e+05, Fnorm=2.786e+02, Fmax=1.767e+03 (atom 436)
Step 2018, Epot=-2.368430e+05, Fnorm=2.786e+02, Fmax=1.627e+03 (atom 4996)
Step 2019, Epot=-2.368442e+05, Fnorm=2.871e+02, Fmax=1.733e+03 (atom 2038)
Step 2020, Epot=-2.368453e+05, Fnorm=2.799e+02, Fmax=1.737e+03 (atom 2038)
Step 2021, Epot=-2.368467e+05, Fnorm=2.787e+02, Fmax=1.738e+03 (atom 2038)
Step 2022, Epot=-2.368480e+05, Fnorm=2.850e+02, Fmax=1.738e+03 (atom 2038)
Step 2023, Epot=-2.368492e+05, Fnorm=2.828e+02, Fmax=1.667e+03 (atom 538)
Step 2024, Epot=-2.368505e+05, Fnorm=2.825e+02, Fmax=1.668e+03 (atom 538)
Step 2025, Epot=-2.368520e+05, Fnorm=2.807e+02, Fmax=1.666e+03 (atom 538)
Step 2026, Epot=-2.368534e+05, Fnorm=2.887e+02, Fmax=1.711e+03 (atom 5338)
Step 2027, Epot=-2.368549e+05, Fnorm=2.847e+02, Fmax=1.749e+03 (atom 2326)
Step 2028, Epot=-2.368563e+05, Fnorm=2.872e+02, Fmax=1.981e+03 (atom 922)
Step 2029, Epot=-2.368578e+05, Fnorm=2.822e+02, Fmax=1.582e+03 (atom 3448)
Step 2030, Epot=-2.368592e+05, Fnorm=2.809e+02, Fmax=1.677e+03 (atom 4030)
Step 2031, Epot=-2.368606e+05, Fnorm=2.857e+02, Fmax=2.061e+03 (atom 2968)
Step 2032, Epot=-2.368621e+05, Fnorm=2.794e+02, Fmax=2.016e+03 (atom 2194)
Step 2033, Epot=-2.368636e+05, Fnorm=2.837e+02, Fmax=2.014e+03 (atom 2194)
Step 2034, Epot=-2.368650e+05, Fnorm=2.793e+02, Fmax=1.536e+03 (atom 5416)
Step 2035, Epot=-2.368665e+05, Fnorm=2.874e+02, Fmax=1.543e+03 (atom 916)
Step 2036, Epot=-2.368681e+05, Fnorm=2.809e+02, Fmax=1.673e+03 (atom 3520)
Step 2037, Epot=-2.368695e+05, Fnorm=2.771e+02, Fmax=1.702e+03 (atom 2038)
Step 2038, Epot=-2.368709e+05, Fnorm=2.827e+02, Fmax=1.894e+03 (atom 1708)
Step 2039, Epot=-2.368723e+05, Fnorm=2.852e+02, Fmax=1.921e+03 (atom 4498)
Step 2040, Epot=-2.368738e+05, Fnorm=2.838e+02, Fmax=1.656e+03 (atom 5878)
Step 2041, Epot=-2.368754e+05, Fnorm=2.825e+02, Fmax=1.667e+03 (atom 4762)
Step 2042, Epot=-2.368771e+05, Fnorm=2.871e+02, Fmax=1.779e+03 (atom 3676)
Step 2043, Epot=-2.368786e+05, Fnorm=2.861e+02, Fmax=1.899e+03 (atom 1708)
Step 2044, Epot=-2.368802e+05, Fnorm=2.804e+02, Fmax=1.620e+03 (atom 5428)
Step 2045, Epot=-2.368819e+05, Fnorm=2.885e+02, Fmax=2.091e+03 (atom 2968)
Step 2046, Epot=-2.368834e+05, Fnorm=2.878e+02, Fmax=2.439e+03 (atom 2770)
Step 2047, Epot=-2.368851e+05, Fnorm=2.781e+02, Fmax=1.694e+03 (atom 5890)
Step 2048, Epot=-2.368867e+05, Fnorm=2.787e+02, Fmax=1.772e+03 (atom 1192)
Step 2049, Epot=-2.368883e+05, Fnorm=2.866e+02, Fmax=1.853e+03 (atom 5482)
Step 2050, Epot=-2.368901e+05, Fnorm=2.823e+02, Fmax=1.768e+03 (atom 2836)
Step 2051, Epot=-2.368920e+05, Fnorm=2.842e+02, Fmax=1.486e+03 (atom 6082)
Step 2052, Epot=-2.368936e+05, Fnorm=2.817e+02, Fmax=1.633e+03 (atom 4030)
Step 2053, Epot=-2.368954e+05, Fnorm=2.852e+02, Fmax=1.589e+03 (atom 3448)
Step 2054, Epot=-2.368972e+05, Fnorm=2.817e+02, Fmax=1.531e+03 (atom 2044)
Step 2055, Epot=-2.368989e+05, Fnorm=2.808e+02, Fmax=1.868e+03 (atom 4564)
Step 2056, Epot=-2.369007e+05, Fnorm=2.849e+02, Fmax=2.012e+03 (atom 3376)
Step 2057, Epot=-2.369026e+05, Fnorm=2.856e+02, Fmax=1.888e+03 (atom 4564)
Step 2058, Epot=-2.369047e+05, Fnorm=2.951e+02, Fmax=2.001e+03 (atom 2770)
Step 2059, Epot=-2.369065e+05, Fnorm=2.834e+02, Fmax=1.548e+03 (atom 1330)
Step 2060, Epot=-2.369085e+05, Fnorm=2.790e+02, Fmax=1.948e+03 (atom 4498)
Step 2061, Epot=-2.369105e+05, Fnorm=2.809e+02, Fmax=1.587e+03 (atom 5608)
Step 2062, Epot=-2.369127e+05, Fnorm=2.914e+02, Fmax=1.995e+03 (atom 4762)
Step 2063, Epot=-2.369147e+05, Fnorm=2.888e+02, Fmax=1.624e+03 (atom 5878)
Step 2064, Epot=-2.369168e+05, Fnorm=2.824e+02, Fmax=2.307e+03 (atom 3442)
Step 2065, Epot=-2.369187e+05, Fnorm=2.863e+02, Fmax=2.001e+03 (atom 562)
Step 2066, Epot=-2.369207e+05, Fnorm=2.795e+02, Fmax=1.956e+03 (atom 4498)
Step 2067, Epot=-2.369223e+05, Fnorm=2.830e+02, Fmax=1.529e+03 (atom 916)
Step 2068, Epot=-2.369241e+05, Fnorm=2.773e+02, Fmax=2.247e+03 (atom 1774)
Step 2069, Epot=-2.369259e+05, Fnorm=2.856e+02, Fmax=1.794e+03 (atom 3574)
Step 2070, Epot=-2.369275e+05, Fnorm=2.875e+02, Fmax=1.949e+03 (atom 4498)
Step 2071, Epot=-2.369293e+05, Fnorm=2.819e+02, Fmax=1.997e+03 (atom 4096)
Step 2072, Epot=-2.369310e+05, Fnorm=2.838e+02, Fmax=1.506e+03 (atom 5482)
Step 2073, Epot=-2.369327e+05, Fnorm=2.821e+02, Fmax=1.558e+03 (atom 3442)
Step 2074, Epot=-2.369345e+05, Fnorm=2.891e+02, Fmax=2.250e+03 (atom 1774)
Step 2075, Epot=-2.369363e+05, Fnorm=2.806e+02, Fmax=1.586e+03 (atom 5542)
Step 2076, Epot=-2.369379e+05, Fnorm=2.843e+02, Fmax=1.672e+03 (atom 5152)
Step 2077, Epot=-2.369396e+05, Fnorm=2.844e+02, Fmax=1.798e+03 (atom 3574)
Step 2078, Epot=-2.369414e+05, Fnorm=2.876e+02, Fmax=1.797e+03 (atom 3574)
Step 2079, Epot=-2.369431e+05, Fnorm=2.838e+02, Fmax=1.448e+03 (atom 2596)
Step 2080, Epot=-2.369448e+05, Fnorm=2.781e+02, Fmax=1.524e+03 (atom 2710)
Step 2081, Epot=-2.369466e+05, Fnorm=2.792e+02, Fmax=1.577e+03 (atom 916)
Step 2082, Epot=-2.369485e+05, Fnorm=2.914e+02, Fmax=1.797e+03 (atom 1192)
Step 2083, Epot=-2.369505e+05, Fnorm=2.834e+02, Fmax=1.556e+03 (atom 1774)
Step 2084, Epot=-2.369524e+05, Fnorm=2.855e+02, Fmax=2.102e+03 (atom 862)
Step 2085, Epot=-2.369543e+05, Fnorm=2.760e+02, Fmax=1.468e+03 (atom 4696)
Step 2086, Epot=-2.369562e+05, Fnorm=2.838e+02, Fmax=1.450e+03 (atom 1852)
Step 2087, Epot=-2.369578e+05, Fnorm=2.804e+02, Fmax=1.883e+03 (atom 4498)
Step 2088, Epot=-2.369595e+05, Fnorm=2.804e+02, Fmax=1.531e+03 (atom 2710)
Step 2089, Epot=-2.369614e+05, Fnorm=2.870e+02, Fmax=1.596e+03 (atom 3910)
Step 2090, Epot=-2.369633e+05, Fnorm=2.881e+02, Fmax=1.985e+03 (atom 4564)
Step 2091, Epot=-2.369652e+05, Fnorm=2.861e+02, Fmax=1.778e+03 (atom 3574)
Step 2092, Epot=-2.369672e+05, Fnorm=2.821e+02, Fmax=1.652e+03 (atom 3310)
Step 2093, Epot=-2.369690e+05, Fnorm=2.828e+02, Fmax=1.653e+03 (atom 3310)
Step 2094, Epot=-2.369707e+05, Fnorm=2.815e+02, Fmax=1.874e+03 (atom 4498)
Step 2095, Epot=-2.369725e+05, Fnorm=2.807e+02, Fmax=1.872e+03 (atom 4498)
Step 2096, Epot=-2.369742e+05, Fnorm=2.835e+02, Fmax=1.756e+03 (atom 538)
Step 2097, Epot=-2.369759e+05, Fnorm=2.761e+02, Fmax=1.754e+03 (atom 538)
Step 2098, Epot=-2.369776e+05, Fnorm=2.768e+02, Fmax=1.984e+03 (atom 4030)
Step 2099, Epot=-2.369794e+05, Fnorm=2.829e+02, Fmax=1.524e+03 (atom 4630)
Step 2100, Epot=-2.369813e+05, Fnorm=2.892e+02, Fmax=1.537e+03 (atom 5608)
Step 2101, Epot=-2.369830e+05, Fnorm=2.950e+02, Fmax=1.862e+03 (atom 4498)
Step 2102, Epot=-2.369848e+05, Fnorm=2.899e+02, Fmax=2.229e+03 (atom 4696)
Step 2103, Epot=-2.369867e+05, Fnorm=2.817e+02, Fmax=1.572e+03 (atom 5680)
Step 2104, Epot=-2.369884e+05, Fnorm=2.817e+02, Fmax=1.971e+03 (atom 1972)
Step 2105, Epot=-2.369902e+05, Fnorm=2.797e+02, Fmax=1.462e+03 (atom 5740)
Step 2106, Epot=-2.369920e+05, Fnorm=2.852e+02, Fmax=1.896e+03 (atom 1354)
Step 2107, Epot=-2.369940e+05, Fnorm=2.890e+02, Fmax=1.948e+03 (atom 4564)
Step 2108, Epot=-2.369959e+05, Fnorm=2.922e+02, Fmax=2.304e+03 (atom 3442)
Step 2109, Epot=-2.369977e+05, Fnorm=2.842e+02, Fmax=1.508e+03 (atom 4630)
Step 2110, Epot=-2.369996e+05, Fnorm=2.777e+02, Fmax=1.436e+03 (atom 3034)
Step 2111, Epot=-2.370015e+05, Fnorm=2.790e+02, Fmax=1.476e+03 (atom 922)
Step 2112, Epot=-2.370033e+05, Fnorm=2.807e+02, Fmax=1.657e+03 (atom 3910)
Step 2113, Epot=-2.370052e+05, Fnorm=2.818e+02, Fmax=1.593e+03 (atom 3454)
Step 2114, Epot=-2.370071e+05, Fnorm=2.808e+02, Fmax=1.481e+03 (atom 4558)
Step 2115, Epot=-2.370090e+05, Fnorm=2.856e+02, Fmax=1.603e+03 (atom 3934)
Step 2116, Epot=-2.370108e+05, Fnorm=2.883e+02, Fmax=1.943e+03 (atom 2770)
Step 2117, Epot=-2.370129e+05, Fnorm=2.786e+02, Fmax=1.668e+03 (atom 2596)
Step 2118, Epot=-2.370149e+05, Fnorm=2.921e+02, Fmax=1.901e+03 (atom 664)
Step 2119, Epot=-2.370169e+05, Fnorm=2.904e+02, Fmax=1.970e+03 (atom 1972)
Step 2120, Epot=-2.370188e+05, Fnorm=2.829e+02, Fmax=1.632e+03 (atom 2392)
Step 2121, Epot=-2.370207e+05, Fnorm=2.893e+02, Fmax=1.633e+03 (atom 1774)
Step 2122, Epot=-2.370224e+05, Fnorm=2.839e+02, Fmax=1.915e+03 (atom 4564)
Step 2123, Epot=-2.370243e+05, Fnorm=2.840e+02, Fmax=2.009e+03 (atom 2836)
Step 2124, Epot=-2.370260e+05, Fnorm=2.796e+02, Fmax=1.995e+03 (atom 2194)
Step 2125, Epot=-2.370278e+05, Fnorm=2.786e+02, Fmax=1.568e+03 (atom 3568)
Step 2126, Epot=-2.370296e+05, Fnorm=2.770e+02, Fmax=1.563e+03 (atom 3568)
Step 2127, Epot=-2.370312e+05, Fnorm=2.825e+02, Fmax=1.548e+03 (atom 6082)
Step 2128, Epot=-2.370329e+05, Fnorm=2.812e+02, Fmax=1.901e+03 (atom 4564)
Step 2129, Epot=-2.370347e+05, Fnorm=2.817e+02, Fmax=1.899e+03 (atom 4564)
Step 2130, Epot=-2.370366e+05, Fnorm=2.864e+02, Fmax=1.989e+03 (atom 2194)
Step 2131, Epot=-2.370383e+05, Fnorm=2.835e+02, Fmax=1.579e+03 (atom 3934)
Step 2132, Epot=-2.370401e+05, Fnorm=2.788e+02, Fmax=2.204e+03 (atom 2038)
Step 2133, Epot=-2.370419e+05, Fnorm=2.799e+02, Fmax=2.104e+03 (atom 2968)
Step 2134, Epot=-2.370435e+05, Fnorm=2.792e+02, Fmax=1.487e+03 (atom 4336)
Step 2135, Epot=-2.370453e+05, Fnorm=2.790e+02, Fmax=1.735e+03 (atom 1510)
Step 2136, Epot=-2.370472e+05, Fnorm=2.866e+02, Fmax=1.926e+03 (atom 4264)
Step 2137, Epot=-2.370490e+05, Fnorm=2.826e+02, Fmax=1.655e+03 (atom 3508)
Step 2138, Epot=-2.370506e+05, Fnorm=2.802e+02, Fmax=1.631e+03 (atom 2902)
Step 2139, Epot=-2.370523e+05, Fnorm=2.717e+02, Fmax=1.759e+03 (atom 2902)
Step 2140, Epot=-2.370542e+05, Fnorm=2.769e+02, Fmax=1.656e+03 (atom 6076)
Step 2141, Epot=-2.370559e+05, Fnorm=2.759e+02, Fmax=1.794e+03 (atom 436)
Step 2142, Epot=-2.370576e+05, Fnorm=2.804e+02, Fmax=2.166e+03 (atom 2326)
Step 2143, Epot=-2.370594e+05, Fnorm=2.868e+02, Fmax=1.757e+03 (atom 1510)
Step 2144, Epot=-2.370610e+05, Fnorm=2.855e+02, Fmax=2.132e+03 (atom 2446)
Step 2145, Epot=-2.370626e+05, Fnorm=2.834e+02, Fmax=1.745e+03 (atom 1354)
Step 2146, Epot=-2.370644e+05, Fnorm=2.835e+02, Fmax=1.823e+03 (atom 664)
Step 2147, Epot=-2.370660e+05, Fnorm=2.803e+02, Fmax=1.532e+03 (atom 5686)
Step 2148, Epot=-2.370676e+05, Fnorm=2.772e+02, Fmax=1.456e+03 (atom 2698)
Step 2149, Epot=-2.370693e+05, Fnorm=2.868e+02, Fmax=1.506e+03 (atom 922)
Step 2150, Epot=-2.370711e+05, Fnorm=2.873e+02, Fmax=1.883e+03 (atom 370)
Step 2151, Epot=-2.370728e+05, Fnorm=2.800e+02, Fmax=1.762e+03 (atom 2902)
Step 2152, Epot=-2.370746e+05, Fnorm=2.741e+02, Fmax=2.030e+03 (atom 3376)
Step 2153, Epot=-2.370764e+05, Fnorm=2.711e+02, Fmax=1.519e+03 (atom 5680)
Step 2154, Epot=-2.370782e+05, Fnorm=2.817e+02, Fmax=1.457e+03 (atom 3502)
Step 2155, Epot=-2.370800e+05, Fnorm=2.798e+02, Fmax=1.644e+03 (atom 3508)
Step 2156, Epot=-2.370818e+05, Fnorm=2.870e+02, Fmax=1.537e+03 (atom 5686)
Step 2157, Epot=-2.370836e+05, Fnorm=2.851e+02, Fmax=1.674e+03 (atom 1768)
Step 2158, Epot=-2.370852e+05, Fnorm=2.841e+02, Fmax=1.514e+03 (atom 1774)
Step 2159, Epot=-2.370870e+05, Fnorm=2.759e+02, Fmax=2.138e+03 (atom 2326)
Step 2160, Epot=-2.370885e+05, Fnorm=2.781e+02, Fmax=1.731e+03 (atom 3574)
Step 2161, Epot=-2.370901e+05, Fnorm=2.788e+02, Fmax=1.818e+03 (atom 4030)
Step 2162, Epot=-2.370917e+05, Fnorm=2.811e+02, Fmax=1.640e+03 (atom 2392)
Step 2163, Epot=-2.370932e+05, Fnorm=2.849e+02, Fmax=1.634e+03 (atom 1336)
Step 2164, Epot=-2.370946e+05, Fnorm=2.828e+02, Fmax=1.870e+03 (atom 466)
Step 2165, Epot=-2.370961e+05, Fnorm=2.806e+02, Fmax=1.516e+03 (atom 1774)
Step 2166, Epot=-2.370974e+05, Fnorm=2.747e+02, Fmax=1.465e+03 (atom 3520)
Step 2167, Epot=-2.370988e+05, Fnorm=2.758e+02, Fmax=2.036e+03 (atom 5422)
Step 2168, Epot=-2.371003e+05, Fnorm=2.831e+02, Fmax=2.036e+03 (atom 5422)
Step 2169, Epot=-2.371018e+05, Fnorm=2.846e+02, Fmax=1.693e+03 (atom 3574)
Step 2170, Epot=-2.371033e+05, Fnorm=2.813e+02, Fmax=1.545e+03 (atom 1774)
Step 2171, Epot=-2.371049e+05, Fnorm=2.850e+02, Fmax=1.564e+03 (atom 5938)
Step 2172, Epot=-2.371063e+05, Fnorm=2.807e+02, Fmax=1.935e+03 (atom 4498)
Step 2173, Epot=-2.371078e+05, Fnorm=2.786e+02, Fmax=1.572e+03 (atom 3910)
Step 2174, Epot=-2.371092e+05, Fnorm=2.759e+02, Fmax=2.241e+03 (atom 4696)
Step 2175, Epot=-2.371106e+05, Fnorm=2.767e+02, Fmax=1.473e+03 (atom 4624)
Step 2176, Epot=-2.371119e+05, Fnorm=2.839e+02, Fmax=1.948e+03 (atom 4564)
Step 2177, Epot=-2.371133e+05, Fnorm=2.828e+02, Fmax=1.737e+03 (atom 2836)
Step 2178, Epot=-2.371147e+05, Fnorm=2.874e+02, Fmax=2.020e+03 (atom 2836)
Step 2179, Epot=-2.371162e+05, Fnorm=2.790e+02, Fmax=1.457e+03 (atom 2710)
Step 2180, Epot=-2.371178e+05, Fnorm=2.893e+02, Fmax=2.008e+03 (atom 1972)
Step 2181, Epot=-2.371197e+05, Fnorm=2.868e+02, Fmax=1.603e+03 (atom 1192)
Step 2182, Epot=-2.371214e+05, Fnorm=2.845e+02, Fmax=1.688e+03 (atom 3508)
Step 2183, Epot=-2.371230e+05, Fnorm=2.763e+02, Fmax=1.558e+03 (atom 5608)
Step 2184, Epot=-2.371245e+05, Fnorm=2.786e+02, Fmax=1.655e+03 (atom 3574)
Step 2185, Epot=-2.371261e+05, Fnorm=2.850e+02, Fmax=1.655e+03 (atom 3574)
Step 2186, Epot=-2.371276e+05, Fnorm=2.867e+02, Fmax=1.650e+03 (atom 3574)
Step 2187, Epot=-2.371294e+05, Fnorm=2.807e+02, Fmax=1.585e+03 (atom 1504)
Step 2188, Epot=-2.371311e+05, Fnorm=2.832e+02, Fmax=1.561e+03 (atom 5758)
Step 2189, Epot=-2.371328e+05, Fnorm=2.801e+02, Fmax=1.684e+03 (atom 1336)
Step 2190, Epot=-2.371344e+05, Fnorm=2.832e+02, Fmax=1.993e+03 (atom 6010)
Step 2191, Epot=-2.371361e+05, Fnorm=2.751e+02, Fmax=1.498e+03 (atom 4624)
Step 2192, Epot=-2.371377e+05, Fnorm=2.842e+02, Fmax=1.779e+03 (atom 3310)
Step 2193, Epot=-2.371393e+05, Fnorm=2.818e+02, Fmax=1.860e+03 (atom 1708)
Step 2194, Epot=-2.371408e+05, Fnorm=2.816e+02, Fmax=1.571e+03 (atom 3964)
Step 2195, Epot=-2.371423e+05, Fnorm=2.810e+02, Fmax=1.567e+03 (atom 3964)
Step 2196, Epot=-2.371438e+05, Fnorm=2.816e+02, Fmax=1.489e+03 (atom 5746)
Step 2197, Epot=-2.371453e+05, Fnorm=2.838e+02, Fmax=1.504e+03 (atom 1774)
Step 2198, Epot=-2.371468e+05, Fnorm=2.803e+02, Fmax=1.688e+03 (atom 1642)
Step 2199, Epot=-2.371483e+05, Fnorm=2.872e+02, Fmax=1.605e+03 (atom 3934)
Step 2200, Epot=-2.371499e+05, Fnorm=2.825e+02, Fmax=1.625e+03 (atom 3442)
Step 2201, Epot=-2.371515e+05, Fnorm=2.829e+02, Fmax=1.540e+03 (atom 1582)
Step 2202, Epot=-2.371532e+05, Fnorm=2.853e+02, Fmax=1.559e+03 (atom 3964)
Step 2203, Epot=-2.371550e+05, Fnorm=2.870e+02, Fmax=1.723e+03 (atom 1354)
Step 2204, Epot=-2.371568e+05, Fnorm=2.923e+02, Fmax=1.694e+03 (atom 3508)
Step 2205, Epot=-2.371586e+05, Fnorm=2.859e+02, Fmax=1.630e+03 (atom 1504)
Step 2206, Epot=-2.371604e+05, Fnorm=2.763e+02, Fmax=1.382e+03 (atom 466)
Step 2207, Epot=-2.371622e+05, Fnorm=2.877e+02, Fmax=1.797e+03 (atom 1768)
Step 2208, Epot=-2.371640e+05, Fnorm=2.829e+02, Fmax=1.499e+03 (atom 3130)
Step 2209, Epot=-2.371657e+05, Fnorm=2.849e+02, Fmax=1.505e+03 (atom 1780)
Step 2210, Epot=-2.371674e+05, Fnorm=2.807e+02, Fmax=1.507e+03 (atom 1780)
Step 2211, Epot=-2.371691e+05, Fnorm=2.873e+02, Fmax=1.971e+03 (atom 1972)
Step 2212, Epot=-2.371708e+05, Fnorm=2.906e+02, Fmax=1.519e+03 (atom 3568)
Step 2213, Epot=-2.371727e+05, Fnorm=2.839e+02, Fmax=1.694e+03 (atom 436)
Step 2214, Epot=-2.371745e+05, Fnorm=2.794e+02, Fmax=1.550e+03 (atom 3532)
Step 2215, Epot=-2.371765e+05, Fnorm=2.773e+02, Fmax=1.421e+03 (atom 2974)
Step 2216, Epot=-2.371783e+05, Fnorm=2.836e+02, Fmax=1.911e+03 (atom 5422)
Step 2217, Epot=-2.371803e+05, Fnorm=2.776e+02, Fmax=1.670e+03 (atom 2836)
Step 2218, Epot=-2.371823e+05, Fnorm=2.847e+02, Fmax=1.749e+03 (atom 1510)
Step 2219, Epot=-2.371843e+05, Fnorm=2.871e+02, Fmax=1.578e+03 (atom 3958)
Step 2220, Epot=-2.371862e+05, Fnorm=2.891e+02, Fmax=1.819e+03 (atom 436)
Step 2221, Epot=-2.371883e+05, Fnorm=2.818e+02, Fmax=1.789e+03 (atom 3310)
Step 2222, Epot=-2.371905e+05, Fnorm=2.759e+02, Fmax=1.494e+03 (atom 922)
Step 2223, Epot=-2.371922e+05, Fnorm=2.845e+02, Fmax=1.644e+03 (atom 1336)
Step 2224, Epot=-2.371942e+05, Fnorm=2.800e+02, Fmax=1.531e+03 (atom 4558)
Step 2225, Epot=-2.371961e+05, Fnorm=2.796e+02, Fmax=1.584e+03 (atom 3910)
Step 2226, Epot=-2.371980e+05, Fnorm=2.844e+02, Fmax=1.971e+03 (atom 4498)
Step 2227, Epot=-2.372001e+05, Fnorm=2.845e+02, Fmax=1.706e+03 (atom 1354)
Step 2228, Epot=-2.372021e+05, Fnorm=2.820e+02, Fmax=1.636e+03 (atom 1336)
Step 2229, Epot=-2.372041e+05, Fnorm=2.821e+02, Fmax=1.592e+03 (atom 862)
Step 2230, Epot=-2.372060e+05, Fnorm=2.904e+02, Fmax=1.525e+03 (atom 3826)
Step 2231, Epot=-2.372079e+05, Fnorm=2.809e+02, Fmax=1.636e+03 (atom 5164)
Step 2232, Epot=-2.372100e+05, Fnorm=2.821e+02, Fmax=1.543e+03 (atom 6082)
Step 2233, Epot=-2.372120e+05, Fnorm=2.864e+02, Fmax=1.661e+03 (atom 6076)
Step 2234, Epot=-2.372140e+05, Fnorm=2.880e+02, Fmax=1.825e+03 (atom 1510)
Step 2235, Epot=-2.372161e+05, Fnorm=2.916e+02, Fmax=1.845e+03 (atom 3442)
Step 2236, Epot=-2.372180e+05, Fnorm=2.879e+02, Fmax=2.111e+03 (atom 2446)
Step 2237, Epot=-2.372201e+05, Fnorm=2.729e+02, Fmax=1.754e+03 (atom 1192)
Step 2238, Epot=-2.372218e+05, Fnorm=2.816e+02, Fmax=2.412e+03 (atom 3310)
Step 2239, Epot=-2.372236e+05, Fnorm=2.836e+02, Fmax=2.148e+03 (atom 2038)
Step 2240, Epot=-2.372254e+05, Fnorm=2.828e+02, Fmax=1.557e+03 (atom 994)
Step 2241, Epot=-2.372272e+05, Fnorm=2.839e+02, Fmax=2.137e+03 (atom 4330)
Step 2242, Epot=-2.372290e+05, Fnorm=2.794e+02, Fmax=1.591e+03 (atom 6172)
Step 2243, Epot=-2.372308e+05, Fnorm=2.874e+02, Fmax=1.606e+03 (atom 2902)
Step 2244, Epot=-2.372326e+05, Fnorm=2.757e+02, Fmax=1.929e+03 (atom 4030)
Step 2245, Epot=-2.372345e+05, Fnorm=2.772e+02, Fmax=1.692e+03 (atom 1642)
Step 2246, Epot=-2.372363e+05, Fnorm=2.869e+02, Fmax=1.991e+03 (atom 4498)
Step 2247, Epot=-2.372379e+05, Fnorm=2.862e+02, Fmax=1.963e+03 (atom 5422)
Step 2248, Epot=-2.372397e+05, Fnorm=2.749e+02, Fmax=1.798e+03 (atom 2596)
Step 2249, Epot=-2.372412e+05, Fnorm=2.832e+02, Fmax=1.861e+03 (atom 3574)
Step 2250, Epot=-2.372429e+05, Fnorm=2.853e+02, Fmax=1.765e+03 (atom 5338)
Step 2251, Epot=-2.372446e+05, Fnorm=2.804e+02, Fmax=1.516e+03 (atom 3442)
Step 2252, Epot=-2.372461e+05, Fnorm=2.826e+02, Fmax=1.503e+03 (atom 730)
Step 2253, Epot=-2.372477e+05, Fnorm=2.842e+02, Fmax=1.641e+03 (atom 2038)
Step 2254, Epot=-2.372492e+05, Fnorm=2.837e+02, Fmax=1.946e+03 (atom 1510)
Step 2255, Epot=-2.372509e+05, Fnorm=2.824e+02, Fmax=1.565e+03 (atom 3910)
Step 2256, Epot=-2.372525e+05, Fnorm=2.820e+02, Fmax=1.694e+03 (atom 1642)
Step 2257, Epot=-2.372541e+05, Fnorm=2.825e+02, Fmax=1.864e+03 (atom 1708)
Step 2258, Epot=-2.372559e+05, Fnorm=2.832e+02, Fmax=1.861e+03 (atom 1708)
Step 2259, Epot=-2.372576e+05, Fnorm=2.872e+02, Fmax=1.773e+03 (atom 3520)
Step 2260, Epot=-2.372592e+05, Fnorm=2.848e+02, Fmax=1.998e+03 (atom 4762)
Step 2261, Epot=-2.372609e+05, Fnorm=2.786e+02, Fmax=1.622e+03 (atom 1066)
Step 2262, Epot=-2.372626e+05, Fnorm=2.806e+02, Fmax=1.665e+03 (atom 2038)
Step 2263, Epot=-2.372640e+05, Fnorm=2.837e+02, Fmax=2.015e+03 (atom 2770)
Step 2264, Epot=-2.372656e+05, Fnorm=2.787e+02, Fmax=1.881e+03 (atom 466)
Step 2265, Epot=-2.372672e+05, Fnorm=2.843e+02, Fmax=1.736e+03 (atom 1354)
Step 2266, Epot=-2.372689e+05, Fnorm=2.813e+02, Fmax=1.637e+03 (atom 1768)
Step 2267, Epot=-2.372706e+05, Fnorm=2.877e+02, Fmax=1.848e+03 (atom 1708)
Step 2268, Epot=-2.372722e+05, Fnorm=2.797e+02, Fmax=1.529e+03 (atom 4630)
Step 2269, Epot=-2.372739e+05, Fnorm=2.769e+02, Fmax=1.330e+03 (atom 3898)
Step 2270, Epot=-2.372753e+05, Fnorm=2.815e+02, Fmax=1.559e+03 (atom 3910)
Step 2271, Epot=-2.372769e+05, Fnorm=2.788e+02, Fmax=1.562e+03 (atom 3910)
Step 2272, Epot=-2.372787e+05, Fnorm=2.828e+02, Fmax=1.674e+03 (atom 1642)
Step 2273, Epot=-2.372803e+05, Fnorm=2.831e+02, Fmax=1.635e+03 (atom 6112)
Step 2274, Epot=-2.372819e+05, Fnorm=2.837e+02, Fmax=1.640e+03 (atom 586)
Step 2275, Epot=-2.372837e+05, Fnorm=2.804e+02, Fmax=1.419e+03 (atom 2596)
Step 2276, Epot=-2.372853e+05, Fnorm=2.849e+02, Fmax=1.532e+03 (atom 2770)
Step 2277, Epot=-2.372870e+05, Fnorm=2.805e+02, Fmax=2.007e+03 (atom 4564)
Step 2278, Epot=-2.372887e+05, Fnorm=2.695e+02, Fmax=1.393e+03 (atom 4390)
Step 2279, Epot=-2.372902e+05, Fnorm=2.812e+02, Fmax=1.981e+03 (atom 1972)
Step 2280, Epot=-2.372918e+05, Fnorm=2.835e+02, Fmax=1.707e+03 (atom 3508)
Step 2281, Epot=-2.372934e+05, Fnorm=2.794e+02, Fmax=1.672e+03 (atom 4006)
Step 2282, Epot=-2.372949e+05, Fnorm=2.803e+02, Fmax=1.742e+03 (atom 3520)
Step 2283, Epot=-2.372964e+05, Fnorm=2.805e+02, Fmax=1.505e+03 (atom 1618)
Step 2284, Epot=-2.372978e+05, Fnorm=2.814e+02, Fmax=1.572e+03 (atom 1258)
Step 2285, Epot=-2.372993e+05, Fnorm=2.820e+02, Fmax=2.066e+03 (atom 4030)
Step 2286, Epot=-2.373007e+05, Fnorm=2.758e+02, Fmax=1.620e+03 (atom 664)
Step 2287, Epot=-2.373022e+05, Fnorm=2.750e+02, Fmax=1.596e+03 (atom 538)
Step 2288, Epot=-2.373036e+05, Fnorm=2.805e+02, Fmax=1.936e+03 (atom 4498)
Step 2289, Epot=-2.373052e+05, Fnorm=2.849e+02, Fmax=2.150e+03 (atom 2968)
Step 2290, Epot=-2.373068e+05, Fnorm=2.853e+02, Fmax=1.824e+03 (atom 1510)
Step 2291, Epot=-2.373082e+05, Fnorm=2.800e+02, Fmax=2.069e+03 (atom 2704)
Step 2292, Epot=-2.373332e+05, Fnorm=2.756e+02, Fmax=1.536e+03 (atom 3448)
Step 2293, Epot=-2.373347e+05, Fnorm=2.880e+02, Fmax=2.003e+03 (atom 2770)
Step 2294, Epot=-2.373362e+05, Fnorm=2.813e+02, Fmax=1.685e+03 (atom 6076)
Step 2295, Epot=-2.373377e+05, Fnorm=2.843e+02, Fmax=1.936e+03 (atom 4498)
Step 2296, Epot=-2.373391e+05, Fnorm=2.835e+02, Fmax=1.935e+03 (atom 4498)
Step 2297, Epot=-2.373405e+05, Fnorm=2.792e+02, Fmax=1.553e+03 (atom 6082)
Step 2298, Epot=-2.373419e+05, Fnorm=2.822e+02, Fmax=2.081e+03 (atom 5482)
Step 2299, Epot=-2.373433e+05, Fnorm=2.771e+02, Fmax=2.092e+03 (atom 4030)
Step 2300, Epot=-2.373446e+05, Fnorm=2.803e+02, Fmax=1.433e+03 (atom 4996)
Step 2301, Epot=-2.373459e+05, Fnorm=2.740e+02, Fmax=1.516e+03 (atom 4558)
Step 2302, Epot=-2.373472e+05, Fnorm=2.774e+02, Fmax=1.816e+03 (atom 466)
Step 2303, Epot=-2.373485e+05, Fnorm=2.790e+02, Fmax=1.905e+03 (atom 5878)
Step 2304, Epot=-2.373498e+05, Fnorm=2.787e+02, Fmax=1.940e+03 (atom 4498)
Step 2305, Epot=-2.373510e+05, Fnorm=2.789e+02, Fmax=2.011e+03 (atom 4564)
Step 2306, Epot=-2.373522e+05, Fnorm=2.770e+02, Fmax=1.565e+03 (atom 5482)
Step 2307, Epot=-2.373534e+05, Fnorm=2.778e+02, Fmax=1.728e+03 (atom 4156)
Step 2308, Epot=-2.373545e+05, Fnorm=2.819e+02, Fmax=1.848e+03 (atom 6226)
Step 2309, Epot=-2.373556e+05, Fnorm=2.803e+02, Fmax=1.803e+03 (atom 5422)
Step 2310, Epot=-2.373565e+05, Fnorm=2.776e+02, Fmax=1.428e+03 (atom 1708)
Step 2311, Epot=-2.373577e+05, Fnorm=2.784e+02, Fmax=1.598e+03 (atom 4030)
Step 2312, Epot=-2.373588e+05, Fnorm=2.818e+02, Fmax=1.946e+03 (atom 4498)
Step 2313, Epot=-2.373599e+05, Fnorm=2.835e+02, Fmax=1.605e+03 (atom 1336)
Step 2314, Epot=-2.373610e+05, Fnorm=2.792e+02, Fmax=1.747e+03 (atom 1354)
Step 2315, Epot=-2.373621e+05, Fnorm=2.790e+02, Fmax=1.614e+03 (atom 5428)
Step 2316, Epot=-2.373633e+05, Fnorm=2.732e+02, Fmax=1.613e+03 (atom 5428)
Step 2317, Epot=-2.373645e+05, Fnorm=2.794e+02, Fmax=1.526e+03 (atom 4558)
Step 2318, Epot=-2.373657e+05, Fnorm=2.797e+02, Fmax=1.562e+03 (atom 5938)
Step 2319, Epot=-2.373666e+05, Fnorm=2.854e+02, Fmax=1.782e+03 (atom 826)
Step 2320, Epot=-2.373677e+05, Fnorm=2.851e+02, Fmax=1.411e+03 (atom 472)
Step 2321, Epot=-2.373689e+05, Fnorm=2.766e+02, Fmax=1.891e+03 (atom 3574)
Step 2322, Epot=-2.373700e+05, Fnorm=2.808e+02, Fmax=1.466e+03 (atom 4630)
Step 2323, Epot=-2.373711e+05, Fnorm=2.803e+02, Fmax=1.542e+03 (atom 916)
Step 2324, Epot=-2.373721e+05, Fnorm=2.823e+02, Fmax=1.602e+03 (atom 916)
Step 2325, Epot=-2.373733e+05, Fnorm=2.717e+02, Fmax=1.497e+03 (atom 334)
Step 2326, Epot=-2.373743e+05, Fnorm=2.814e+02, Fmax=1.574e+03 (atom 5494)
Step 2327, Epot=-2.373754e+05, Fnorm=2.835e+02, Fmax=1.846e+03 (atom 5056)
Step 2328, Epot=-2.373766e+05, Fnorm=2.795e+02, Fmax=1.735e+03 (atom 1354)
Step 2329, Epot=-2.373777e+05, Fnorm=2.793e+02, Fmax=1.785e+03 (atom 2596)
Step 2330, Epot=-2.373788e+05, Fnorm=2.780e+02, Fmax=1.885e+03 (atom 1972)
Step 2331, Epot=-2.373800e+05, Fnorm=2.797e+02, Fmax=1.594e+03 (atom 5164)
Step 2332, Epot=-2.373810e+05, Fnorm=2.834e+02, Fmax=1.663e+03 (atom 4156)
Step 2333, Epot=-2.373822e+05, Fnorm=2.762e+02, Fmax=1.522e+03 (atom 4558)
Step 2334, Epot=-2.373832e+05, Fnorm=2.784e+02, Fmax=1.967e+03 (atom 4498)
Step 2335, Epot=-2.373842e+05, Fnorm=2.775e+02, Fmax=1.570e+03 (atom 5938)
Step 2336, Epot=-2.373852e+05, Fnorm=2.789e+02, Fmax=1.925e+03 (atom 2194)
Step 2337, Epot=-2.373862e+05, Fnorm=2.793e+02, Fmax=1.924e+03 (atom 2194)
Step 2338, Epot=-2.373873e+05, Fnorm=2.887e+02, Fmax=1.957e+03 (atom 6010)
Step 2339, Epot=-2.373884e+05, Fnorm=2.847e+02, Fmax=1.608e+03 (atom 5428)
Step 2340, Epot=-2.373896e+05, Fnorm=2.846e+02, Fmax=2.049e+03 (atom 4330)
Step 2341, Epot=-2.373907e+05, Fnorm=2.820e+02, Fmax=2.048e+03 (atom 4330)
Step 2342, Epot=-2.373916e+05, Fnorm=2.794e+02, Fmax=1.829e+03 (atom 5434)
Step 2343, Epot=-2.373928e+05, Fnorm=2.821e+02, Fmax=1.962e+03 (atom 922)
Step 2344, Epot=-2.373939e+05, Fnorm=2.828e+02, Fmax=1.962e+03 (atom 922)
Step 2345, Epot=-2.373950e+05, Fnorm=2.811e+02, Fmax=1.508e+03 (atom 5608)
Step 2346, Epot=-2.373961e+05, Fnorm=2.831e+02, Fmax=1.545e+03 (atom 6076)
Step 2347, Epot=-2.373971e+05, Fnorm=2.770e+02, Fmax=1.953e+03 (atom 6010)
Step 2348, Epot=-2.373981e+05, Fnorm=2.701e+02, Fmax=1.424e+03 (atom 1576)
Step 2349, Epot=-2.373990e+05, Fnorm=2.673e+02, Fmax=1.494e+03 (atom 5476)
Step 2350, Epot=-2.373999e+05, Fnorm=2.691e+02, Fmax=1.882e+03 (atom 3574)
Step 2351, Epot=-2.374009e+05, Fnorm=2.827e+02, Fmax=1.977e+03 (atom 3310)
Step 2352, Epot=-2.374018e+05, Fnorm=2.866e+02, Fmax=1.966e+03 (atom 6010)
Step 2353, Epot=-2.374028e+05, Fnorm=2.787e+02, Fmax=1.386e+03 (atom 5812)
Step 2354, Epot=-2.374038e+05, Fnorm=2.813e+02, Fmax=1.585e+03 (atom 3454)
Step 2355, Epot=-2.374048e+05, Fnorm=2.855e+02, Fmax=1.605e+03 (atom 5428)
Step 2356, Epot=-2.374058e+05, Fnorm=2.795e+02, Fmax=1.699e+03 (atom 1642)
Step 2357, Epot=-2.374069e+05, Fnorm=2.821e+02, Fmax=1.503e+03 (atom 4030)
Step 2358, Epot=-2.374078e+05, Fnorm=2.836e+02, Fmax=1.795e+03 (atom 4096)
Step 2359, Epot=-2.374089e+05, Fnorm=2.761e+02, Fmax=1.559e+03 (atom 1336)
Step 2360, Epot=-2.374099e+05, Fnorm=2.811e+02, Fmax=1.917e+03 (atom 2194)
Step 2361, Epot=-2.374109e+05, Fnorm=2.832e+02, Fmax=1.502e+03 (atom 3826)
Step 2362, Epot=-2.374118e+05, Fnorm=2.832e+02, Fmax=1.932e+03 (atom 1972)
Step 2363, Epot=-2.374128e+05, Fnorm=2.748e+02, Fmax=1.631e+03 (atom 4030)
Step 2364, Epot=-2.374138e+05, Fnorm=2.779e+02, Fmax=1.484e+03 (atom 3568)
Step 2365, Epot=-2.374146e+05, Fnorm=2.785e+02, Fmax=1.490e+03 (atom 3568)
Step 2366, Epot=-2.374155e+05, Fnorm=2.747e+02, Fmax=1.587e+03 (atom 1258)
Step 2367, Epot=-2.374164e+05, Fnorm=2.816e+02, Fmax=1.671e+03 (atom 5668)
Step 2368, Epot=-2.374173e+05, Fnorm=2.793e+02, Fmax=1.953e+03 (atom 1708)
Step 2369, Epot=-2.374183e+05, Fnorm=2.763e+02, Fmax=1.576e+03 (atom 1774)
Step 2370, Epot=-2.374193e+05, Fnorm=2.843e+02, Fmax=1.724e+03 (atom 2596)
Step 2371, Epot=-2.374204e+05, Fnorm=2.837e+02, Fmax=1.659e+03 (atom 4006)
Step 2372, Epot=-2.374214e+05, Fnorm=2.860e+02, Fmax=1.798e+03 (atom 466)
Step 2373, Epot=-2.374226e+05, Fnorm=2.861e+02, Fmax=1.981e+03 (atom 5422)
Step 2374, Epot=-2.374236e+05, Fnorm=2.846e+02, Fmax=1.669e+03 (atom 5164)
Step 2375, Epot=-2.374247e+05, Fnorm=2.766e+02, Fmax=1.541e+03 (atom 5428)
Step 2376, Epot=-2.374258e+05, Fnorm=2.761e+02, Fmax=1.706e+03 (atom 1642)
Step 2377, Epot=-2.374269e+05, Fnorm=2.811e+02, Fmax=1.508e+03 (atom 2710)
Step 2378, Epot=-2.374279e+05, Fnorm=2.825e+02, Fmax=1.662e+03 (atom 4762)
Step 2379, Epot=-2.374290e+05, Fnorm=2.817e+02, Fmax=2.069e+03 (atom 4030)
Step 2380, Epot=-2.374300e+05, Fnorm=2.846e+02, Fmax=1.742e+03 (atom 2836)
Step 2381, Epot=-2.374311e+05, Fnorm=2.829e+02, Fmax=1.929e+03 (atom 2194)
Step 2382, Epot=-2.374323e+05, Fnorm=2.792e+02, Fmax=1.684e+03 (atom 2038)
Step 2383, Epot=-2.374334e+05, Fnorm=2.861e+02, Fmax=1.650e+03 (atom 3454)
Step 2384, Epot=-2.374345e+05, Fnorm=2.832e+02, Fmax=1.775e+03 (atom 3310)
Step 2385, Epot=-2.374356e+05, Fnorm=2.914e+02, Fmax=2.483e+03 (atom 3310)
Step 2386, Epot=-2.374368e+05, Fnorm=2.789e+02, Fmax=1.469e+03 (atom 454)
Step 2387, Epot=-2.374377e+05, Fnorm=2.709e+02, Fmax=1.460e+03 (atom 5938)
Step 2388, Epot=-2.374387e+05, Fnorm=2.756e+02, Fmax=1.581e+03 (atom 2848)
Step 2389, Epot=-2.374397e+05, Fnorm=2.767e+02, Fmax=1.532e+03 (atom 4558)
Step 2390, Epot=-2.374408e+05, Fnorm=2.793e+02, Fmax=1.700e+03 (atom 1336)
Step 2391, Epot=-2.374418e+05, Fnorm=2.787e+02, Fmax=1.701e+03 (atom 1336)
Step 2392, Epot=-2.374428e+05, Fnorm=2.790e+02, Fmax=1.677e+03 (atom 2596)
Step 2393, Epot=-2.374438e+05, Fnorm=2.782e+02, Fmax=1.558e+03 (atom 334)
Step 2394, Epot=-2.374447e+05, Fnorm=2.779e+02, Fmax=1.650e+03 (atom 4030)
Step 2395, Epot=-2.374458e+05, Fnorm=2.840e+02, Fmax=1.650e+03 (atom 4030)
Step 2396, Epot=-2.374467e+05, Fnorm=2.864e+02, Fmax=2.038e+03 (atom 4564)
Step 2397, Epot=-2.374477e+05, Fnorm=2.838e+02, Fmax=2.037e+03 (atom 4564)
Step 2398, Epot=-2.374487e+05, Fnorm=2.791e+02, Fmax=1.884e+03 (atom 1510)
Step 2399, Epot=-2.374497e+05, Fnorm=2.776e+02, Fmax=1.761e+03 (atom 3310)
Step 2400, Epot=-2.374506e+05, Fnorm=2.854e+02, Fmax=1.722e+03 (atom 2392)
Step 2401, Epot=-2.374516e+05, Fnorm=2.803e+02, Fmax=1.629e+03 (atom 5692)
Step 2402, Epot=-2.374527e+05, Fnorm=2.746e+02, Fmax=1.571e+03 (atom 4030)
Step 2403, Epot=-2.374537e+05, Fnorm=2.819e+02, Fmax=2.186e+03 (atom 994)
Step 2404, Epot=-2.374547e+05, Fnorm=2.828e+02, Fmax=1.582e+03 (atom 598)
Step 2405, Epot=-2.374558e+05, Fnorm=2.746e+02, Fmax=1.440e+03 (atom 5884)
Step 2406, Epot=-2.374569e+05, Fnorm=2.835e+02, Fmax=1.418e+03 (atom 2446)
Step 2407, Epot=-2.374580e+05, Fnorm=2.879e+02, Fmax=1.672e+03 (atom 4156)
Step 2408, Epot=-2.374591e+05, Fnorm=2.851e+02, Fmax=1.751e+03 (atom 1354)
Step 2409, Epot=-2.374602e+05, Fnorm=2.803e+02, Fmax=1.753e+03 (atom 1354)
Step 2410, Epot=-2.374613e+05, Fnorm=2.787e+02, Fmax=1.599e+03 (atom 5482)
Step 2411, Epot=-2.374624e+05, Fnorm=2.772e+02, Fmax=1.483e+03 (atom 5416)
Step 2412, Epot=-2.374635e+05, Fnorm=2.757e+02, Fmax=1.700e+03 (atom 5758)
Step 2413, Epot=-2.374646e+05, Fnorm=2.802e+02, Fmax=1.867e+03 (atom 1510)
Step 2414, Epot=-2.374656e+05, Fnorm=2.769e+02, Fmax=1.742e+03 (atom 3310)
Step 2415, Epot=-2.374666e+05, Fnorm=2.780e+02, Fmax=1.808e+03 (atom 3574)
Step 2416, Epot=-2.374677e+05, Fnorm=2.788e+02, Fmax=1.332e+03 (atom 2260)
Step 2417, Epot=-2.374688e+05, Fnorm=2.830e+02, Fmax=1.614e+03 (atom 5164)
Step 2418, Epot=-2.374698e+05, Fnorm=2.855e+02, Fmax=1.587e+03 (atom 5758)
Step 2419, Epot=-2.374710e+05, Fnorm=2.769e+02, Fmax=1.423e+03 (atom 3202)
Step 2420, Epot=-2.374721e+05, Fnorm=2.802e+02, Fmax=1.601e+03 (atom 1774)
Step 2421, Epot=-2.374734e+05, Fnorm=2.851e+02, Fmax=1.810e+03 (atom 3574)
Step 2422, Epot=-2.374746e+05, Fnorm=2.856e+02, Fmax=1.851e+03 (atom 1510)
Step 2423, Epot=-2.374758e+05, Fnorm=2.835e+02, Fmax=1.649e+03 (atom 1504)
Step 2424, Epot=-2.374770e+05, Fnorm=2.790e+02, Fmax=1.941e+03 (atom 2194)
Step 2425, Epot=-2.374782e+05, Fnorm=2.798e+02, Fmax=1.525e+03 (atom 5224)
Step 2426, Epot=-2.374793e+05, Fnorm=2.815e+02, Fmax=2.092e+03 (atom 5482)
Step 2427, Epot=-2.374804e+05, Fnorm=2.810e+02, Fmax=1.694e+03 (atom 1642)
Step 2428, Epot=-2.374816e+05, Fnorm=2.783e+02, Fmax=1.816e+03 (atom 3574)
Step 2429, Epot=-2.374827e+05, Fnorm=2.762e+02, Fmax=1.737e+03 (atom 3310)
Step 2430, Epot=-2.374837e+05, Fnorm=2.781e+02, Fmax=1.696e+03 (atom 2038)
Step 2431, Epot=-2.374846e+05, Fnorm=2.779e+02, Fmax=1.789e+03 (atom 1774)
Step 2432, Epot=-2.374855e+05, Fnorm=2.778e+02, Fmax=1.547e+03 (atom 3508)
Step 2433, Epot=-2.374866e+05, Fnorm=2.782e+02, Fmax=1.384e+03 (atom 5914)
Step 2434, Epot=-2.374874e+05, Fnorm=2.788e+02, Fmax=1.786e+03 (atom 5152)
Step 2435, Epot=-2.374883e+05, Fnorm=2.775e+02, Fmax=1.506e+03 (atom 3130)
Step 2436, Epot=-2.374892e+05, Fnorm=2.838e+02, Fmax=1.765e+03 (atom 3520)
Step 2437, Epot=-2.374902e+05, Fnorm=2.794e+02, Fmax=1.737e+03 (atom 3310)
Step 2438, Epot=-2.374911e+05, Fnorm=2.787e+02, Fmax=2.009e+03 (atom 4498)
Step 2439, Epot=-2.374921e+05, Fnorm=2.812e+02, Fmax=1.546e+03 (atom 4030)
Step 2440, Epot=-2.374930e+05, Fnorm=2.847e+02, Fmax=1.507e+03 (atom 454)
Step 2441, Epot=-2.374939e+05, Fnorm=2.814e+02, Fmax=1.592e+03 (atom 6172)
Step 2442, Epot=-2.374948e+05, Fnorm=2.846e+02, Fmax=2.293e+03 (atom 1774)
Step 2443, Epot=-2.374957e+05, Fnorm=2.896e+02, Fmax=1.683e+03 (atom 4156)
Step 2444, Epot=-2.374967e+05, Fnorm=2.844e+02, Fmax=1.748e+03 (atom 4156)
Step 2445, Epot=-2.374976e+05, Fnorm=2.824e+02, Fmax=1.895e+03 (atom 3310)
Step 2446, Epot=-2.374985e+05, Fnorm=2.792e+02, Fmax=1.426e+03 (atom 2968)
Step 2447, Epot=-2.374995e+05, Fnorm=2.831e+02, Fmax=1.927e+03 (atom 5878)
Step 2448, Epot=-2.375004e+05, Fnorm=2.851e+02, Fmax=1.772e+03 (atom 1774)
Step 2449, Epot=-2.375012e+05, Fnorm=2.886e+02, Fmax=1.686e+03 (atom 5008)
Step 2450, Epot=-2.375022e+05, Fnorm=2.919e+02, Fmax=1.807e+03 (atom 3574)
Step 2451, Epot=-2.375031e+05, Fnorm=2.791e+02, Fmax=1.890e+03 (atom 1708)
Step 2452, Epot=-2.375040e+05, Fnorm=2.775e+02, Fmax=1.465e+03 (atom 2404)
Step 2453, Epot=-2.375049e+05, Fnorm=2.755e+02, Fmax=1.652e+03 (atom 3910)
Step 2454, Epot=-2.375058e+05, Fnorm=2.784e+02, Fmax=1.509e+03 (atom 922)
Step 2455, Epot=-2.375067e+05, Fnorm=2.839e+02, Fmax=1.599e+03 (atom 4498)
Step 2456, Epot=-2.375076e+05, Fnorm=2.910e+02, Fmax=1.598e+03 (atom 1774)
Step 2457, Epot=-2.375086e+05, Fnorm=2.872e+02, Fmax=1.798e+03 (atom 5152)
Step 2458, Epot=-2.375096e+05, Fnorm=2.819e+02, Fmax=1.864e+03 (atom 3898)
Step 2459, Epot=-2.375106e+05, Fnorm=2.752e+02, Fmax=1.796e+03 (atom 466)
Step 2460, Epot=-2.375115e+05, Fnorm=2.749e+02, Fmax=1.500e+03 (atom 4030)
Step 2461, Epot=-2.375124e+05, Fnorm=2.820e+02, Fmax=2.009e+03 (atom 4498)
Step 2462, Epot=-2.375134e+05, Fnorm=2.800e+02, Fmax=1.494e+03 (atom 1852)
Step 2463, Epot=-2.375144e+05, Fnorm=2.794e+02, Fmax=1.507e+03 (atom 292)
Step 2464, Epot=-2.375154e+05, Fnorm=2.785e+02, Fmax=1.576e+03 (atom 3934)
Step 2465, Epot=-2.375164e+05, Fnorm=2.773e+02, Fmax=1.556e+03 (atom 3964)
Step 2466, Epot=-2.375173e+05, Fnorm=2.781e+02, Fmax=1.588e+03 (atom 670)
Step 2467, Epot=-2.375183e+05, Fnorm=2.779e+02, Fmax=1.546e+03 (atom 916)
Step 2468, Epot=-2.375193e+05, Fnorm=2.733e+02, Fmax=1.567e+03 (atom 1504)
Step 2469, Epot=-2.375202e+05, Fnorm=2.735e+02, Fmax=1.831e+03 (atom 370)
Step 2470, Epot=-2.375210e+05, Fnorm=2.751e+02, Fmax=2.013e+03 (atom 5284)
Step 2471, Epot=-2.375218e+05, Fnorm=2.781e+02, Fmax=1.881e+03 (atom 1708)
Step 2472, Epot=-2.375227e+05, Fnorm=2.828e+02, Fmax=1.540e+03 (atom 5416)
Step 2473, Epot=-2.375236e+05, Fnorm=2.751e+02, Fmax=1.601e+03 (atom 4030)
Step 2474, Epot=-2.375243e+05, Fnorm=2.819e+02, Fmax=1.550e+03 (atom 4558)
Step 2475, Epot=-2.375252e+05, Fnorm=2.798e+02, Fmax=1.822e+03 (atom 5152)
Step 2476, Epot=-2.375261e+05, Fnorm=2.830e+02, Fmax=1.565e+03 (atom 2770)
Step 2477, Epot=-2.375269e+05, Fnorm=2.898e+02, Fmax=1.921e+03 (atom 3442)
Step 2478, Epot=-2.375278e+05, Fnorm=2.861e+02, Fmax=1.588e+03 (atom 3826)
Step 2479, Epot=-2.375287e+05, Fnorm=2.817e+02, Fmax=1.546e+03 (atom 1774)
Step 2480, Epot=-2.375297e+05, Fnorm=2.841e+02, Fmax=1.576e+03 (atom 4498)
Step 2481, Epot=-2.375306e+05, Fnorm=2.740e+02, Fmax=2.053e+03 (atom 3376)
Step 2482, Epot=-2.375315e+05, Fnorm=2.831e+02, Fmax=1.780e+03 (atom 2836)
Step 2483, Epot=-2.375325e+05, Fnorm=2.868e+02, Fmax=1.539e+03 (atom 1258)
Step 2484, Epot=-2.375334e+05, Fnorm=2.854e+02, Fmax=1.666e+03 (atom 1336)
Step 2485, Epot=-2.375345e+05, Fnorm=2.945e+02, Fmax=1.822e+03 (atom 3574)
Step 2486, Epot=-2.375355e+05, Fnorm=2.862e+02, Fmax=1.628e+03 (atom 3454)
Step 2487, Epot=-2.375365e+05, Fnorm=2.782e+02, Fmax=1.437e+03 (atom 3202)
Step 2488, Epot=-2.375375e+05, Fnorm=2.817e+02, Fmax=2.474e+03 (atom 5482)
Step 2489, Epot=-2.375383e+05, Fnorm=2.790e+02, Fmax=1.543e+03 (atom 1258)
Step 2490, Epot=-2.375392e+05, Fnorm=2.785e+02, Fmax=1.534e+03 (atom 334)
Step 2491, Epot=-2.375403e+05, Fnorm=2.799e+02, Fmax=1.610e+03 (atom 802)
Step 2492, Epot=-2.375413e+05, Fnorm=2.810e+02, Fmax=1.830e+03 (atom 3574)
Step 2493, Epot=-2.375423e+05, Fnorm=2.884e+02, Fmax=1.904e+03 (atom 5878)
Step 2494, Epot=-2.375199e+05, Fnorm=2.833e+02, Fmax=1.626e+03 (atom 664)
Step 2495, Epot=-2.375210e+05, Fnorm=2.823e+02, Fmax=1.994e+03 (atom 3310)
Step 2496, Epot=-2.375222e+05, Fnorm=2.809e+02, Fmax=1.587e+03 (atom 3442)
Step 2497, Epot=-2.375232e+05, Fnorm=2.735e+02, Fmax=1.719e+03 (atom 5428)
Step 2498, Epot=-2.375242e+05, Fnorm=2.824e+02, Fmax=1.993e+03 (atom 334)
Step 2499, Epot=-2.375253e+05, Fnorm=2.781e+02, Fmax=1.728e+03 (atom 2038)
Step 2500, Epot=-2.375263e+05, Fnorm=2.772e+02, Fmax=1.858e+03 (atom 1642)
Step 2501, Epot=-2.375273e+05, Fnorm=2.822e+02, Fmax=1.866e+03 (atom 1510)
Step 2502, Epot=-2.375282e+05, Fnorm=2.853e+02, Fmax=1.545e+03 (atom 6082)
Step 2503, Epot=-2.375294e+05, Fnorm=2.864e+02, Fmax=2.084e+03 (atom 730)
Step 2504, Epot=-2.375539e+05, Fnorm=2.932e+02, Fmax=2.495e+03 (atom 5482)
Step 2505, Epot=-2.375550e+05, Fnorm=2.794e+02, Fmax=1.893e+03 (atom 1972)
Step 2506, Epot=-2.375560e+05, Fnorm=2.810e+02, Fmax=1.564e+03 (atom 5416)
Step 2507, Epot=-2.375571e+05, Fnorm=2.816e+02, Fmax=1.865e+03 (atom 3574)
Step 2508, Epot=-2.375581e+05, Fnorm=2.831e+02, Fmax=1.708e+03 (atom 1336)
Step 2509, Epot=-2.375592e+05, Fnorm=2.783e+02, Fmax=1.690e+03 (atom 5956)
Step 2510, Epot=-2.375602e+05, Fnorm=2.740e+02, Fmax=1.428e+03 (atom 4696)
Step 2511, Epot=-2.375612e+05, Fnorm=2.803e+02, Fmax=1.660e+03 (atom 2392)
Step 2512, Epot=-2.375622e+05, Fnorm=2.851e+02, Fmax=1.856e+03 (atom 1510)
Step 2513, Epot=-2.375632e+05, Fnorm=2.805e+02, Fmax=1.557e+03 (atom 5938)
Step 2514, Epot=-2.375643e+05, Fnorm=2.751e+02, Fmax=1.472e+03 (atom 1582)
Step 2515, Epot=-2.375653e+05, Fnorm=2.870e+02, Fmax=1.527e+03 (atom 916)
Step 2516, Epot=-2.375663e+05, Fnorm=2.792e+02, Fmax=1.977e+03 (atom 1336)
Step 2517, Epot=-2.375674e+05, Fnorm=2.751e+02, Fmax=1.730e+03 (atom 4156)
Step 2518, Epot=-2.375685e+05, Fnorm=2.715e+02, Fmax=1.567e+03 (atom 4030)
Step 2519, Epot=-2.375695e+05, Fnorm=2.870e+02, Fmax=1.868e+03 (atom 3898)
Step 2520, Epot=-2.375704e+05, Fnorm=2.813e+02, Fmax=2.032e+03 (atom 4564)
Step 2521, Epot=-2.375716e+05, Fnorm=2.823e+02, Fmax=1.627e+03 (atom 5626)
Step 2522, Epot=-2.375726e+05, Fnorm=2.795e+02, Fmax=1.878e+03 (atom 3574)
Step 2523, Epot=-2.375737e+05, Fnorm=2.831e+02, Fmax=1.510e+03 (atom 2164)
Step 2524, Epot=-2.375749e+05, Fnorm=2.866e+02, Fmax=1.535e+03 (atom 4570)
Step 2525, Epot=-2.375761e+05, Fnorm=2.798e+02, Fmax=2.007e+03 (atom 4498)
Step 2526, Epot=-2.375772e+05, Fnorm=2.827e+02, Fmax=2.007e+03 (atom 4498)
Step 2527, Epot=-2.375783e+05, Fnorm=2.706e+02, Fmax=1.622e+03 (atom 6112)
Step 2528, Epot=-2.375793e+05, Fnorm=2.763e+02, Fmax=1.407e+03 (atom 1702)
Step 2529, Epot=-2.375803e+05, Fnorm=2.813e+02, Fmax=1.879e+03 (atom 3574)
Step 2530, Epot=-2.375813e+05, Fnorm=2.783e+02, Fmax=1.887e+03 (atom 1708)
Step 2531, Epot=-2.375823e+05, Fnorm=2.766e+02, Fmax=1.529e+03 (atom 1642)
Step 2532, Epot=-2.375833e+05, Fnorm=2.766e+02, Fmax=1.401e+03 (atom 5164)
Step 2533, Epot=-2.375842e+05, Fnorm=2.822e+02, Fmax=1.872e+03 (atom 1972)
Step 2534, Epot=-2.375851e+05, Fnorm=2.814e+02, Fmax=1.695e+03 (atom 3910)
Step 2535, Epot=-2.375860e+05, Fnorm=2.797e+02, Fmax=1.669e+03 (atom 1768)
Step 2536, Epot=-2.375871e+05, Fnorm=2.775e+02, Fmax=1.583e+03 (atom 3964)
Step 2537, Epot=-2.375880e+05, Fnorm=2.820e+02, Fmax=1.538e+03 (atom 6172)
Step 2538, Epot=-2.375889e+05, Fnorm=2.893e+02, Fmax=2.002e+03 (atom 3376)
Step 2539, Epot=-2.375899e+05, Fnorm=2.754e+02, Fmax=1.510e+03 (atom 1618)
Step 2540, Epot=-2.375910e+05, Fnorm=2.743e+02, Fmax=1.707e+03 (atom 1354)
Step 2541, Epot=-2.375919e+05, Fnorm=2.831e+02, Fmax=2.447e+03 (atom 3310)
Step 2542, Epot=-2.375929e+05, Fnorm=2.869e+02, Fmax=1.946e+03 (atom 3310)
Step 2543, Epot=-2.375939e+05, Fnorm=2.862e+02, Fmax=1.756e+03 (atom 3520)
Step 2544, Epot=-2.375949e+05, Fnorm=2.815e+02, Fmax=1.723e+03 (atom 4762)
Step 2545, Epot=-2.375959e+05, Fnorm=2.820e+02, Fmax=1.547e+03 (atom 3838)
Step 2546, Epot=-2.375969e+05, Fnorm=2.851e+02, Fmax=1.972e+03 (atom 5422)
Step 2547, Epot=-2.375980e+05, Fnorm=2.810e+02, Fmax=1.409e+03 (atom 2974)
Step 2548, Epot=-2.375990e+05, Fnorm=2.789e+02, Fmax=1.488e+03 (atom 5194)
Step 2549, Epot=-2.375999e+05, Fnorm=2.801e+02, Fmax=1.905e+03 (atom 2194)
Step 2550, Epot=-2.376008e+05, Fnorm=2.756e+02, Fmax=1.876e+03 (atom 3574)
Step 2551, Epot=-2.376018e+05, Fnorm=2.808e+02, Fmax=1.718e+03 (atom 1354)
Step 2552, Epot=-2.376028e+05, Fnorm=2.839e+02, Fmax=1.461e+03 (atom 2404)
Step 2553, Epot=-2.376039e+05, Fnorm=2.783e+02, Fmax=1.459e+03 (atom 562)
Step 2554, Epot=-2.376049e+05, Fnorm=2.821e+02, Fmax=1.687e+03 (atom 4156)
Step 2555, Epot=-2.376059e+05, Fnorm=2.843e+02, Fmax=1.692e+03 (atom 3910)
Step 2556, Epot=-2.376069e+05, Fnorm=2.773e+02, Fmax=1.490e+03 (atom 928)
Step 2557, Epot=-2.376079e+05, Fnorm=2.756e+02, Fmax=1.640e+03 (atom 2038)
Step 2558, Epot=-2.376088e+05, Fnorm=2.770e+02, Fmax=1.479e+03 (atom 5476)
Step 2559, Epot=-2.376098e+05, Fnorm=2.764e+02, Fmax=1.865e+03 (atom 1642)
Step 2560, Epot=-2.376107e+05, Fnorm=2.830e+02, Fmax=1.891e+03 (atom 1972)
Step 2561, Epot=-2.376115e+05, Fnorm=2.889e+02, Fmax=1.771e+03 (atom 5686)
Step 2562, Epot=-2.376123e+05, Fnorm=2.803e+02, Fmax=1.831e+03 (atom 3310)
Step 2563, Epot=-2.376130e+05, Fnorm=2.759e+02, Fmax=1.600e+03 (atom 6082)
Step 2564, Epot=-2.376138e+05, Fnorm=2.762e+02, Fmax=1.587e+03 (atom 3964)
Step 2565, Epot=-2.376147e+05, Fnorm=2.861e+02, Fmax=1.577e+03 (atom 3934)
Step 2566, Epot=-2.376155e+05, Fnorm=2.844e+02, Fmax=1.617e+03 (atom 5494)
Step 2567, Epot=-2.376164e+05, Fnorm=2.852e+02, Fmax=1.835e+03 (atom 3898)
Step 2568, Epot=-2.375940e+05, Fnorm=2.819e+02, Fmax=1.685e+03 (atom 3910)
Step 2569, Epot=-2.375948e+05, Fnorm=2.822e+02, Fmax=1.664e+03 (atom 2392)
Step 2570, Epot=-2.375956e+05, Fnorm=2.807e+02, Fmax=1.764e+03 (atom 466)
Step 2571, Epot=-2.375965e+05, Fnorm=2.848e+02, Fmax=2.432e+03 (atom 3310)
Step 2572, Epot=-2.375974e+05, Fnorm=2.887e+02, Fmax=1.610e+03 (atom 5956)
Step 2573, Epot=-2.375982e+05, Fnorm=2.881e+02, Fmax=2.166e+03 (atom 994)
Step 2574, Epot=-2.375991e+05, Fnorm=2.827e+02, Fmax=2.014e+03 (atom 4498)
Step 2575, Epot=-2.376000e+05, Fnorm=2.784e+02, Fmax=1.454e+03 (atom 3202)
Step 2576, Epot=-2.376008e+05, Fnorm=2.806e+02, Fmax=1.675e+03 (atom 4006)
Step 2577, Epot=-2.376017e+05, Fnorm=2.730e+02, Fmax=1.620e+03 (atom 4996)
Step 2578, Epot=-2.376026e+05, Fnorm=2.793e+02, Fmax=1.618e+03 (atom 4996)
Step 2579, Epot=-2.376033e+05, Fnorm=2.857e+02, Fmax=1.589e+03 (atom 862)
Step 2580, Epot=-2.376042e+05, Fnorm=2.828e+02, Fmax=1.587e+03 (atom 862)
Step 2581, Epot=-2.376050e+05, Fnorm=2.702e+02, Fmax=1.551e+03 (atom 4030)
Step 2582, Epot=-2.376058e+05, Fnorm=2.771e+02, Fmax=1.592e+03 (atom 1774)
Step 2583, Epot=-2.376066e+05, Fnorm=2.785e+02, Fmax=1.429e+03 (atom 598)
Step 2584, Epot=-2.376075e+05, Fnorm=2.832e+02, Fmax=1.684e+03 (atom 3508)
Step 2585, Epot=-2.376084e+05, Fnorm=2.891e+02, Fmax=1.618e+03 (atom 586)
Step 2586, Epot=-2.376093e+05, Fnorm=2.905e+02, Fmax=1.550e+03 (atom 3964)
Step 2587, Epot=-2.376102e+05, Fnorm=2.841e+02, Fmax=1.756e+03 (atom 1354)
Step 2588, Epot=-2.376113e+05, Fnorm=2.793e+02, Fmax=1.487e+03 (atom 4996)
Step 2589, Epot=-2.376122e+05, Fnorm=2.770e+02, Fmax=1.777e+03 (atom 1510)
Step 2590, Epot=-2.376131e+05, Fnorm=2.809e+02, Fmax=1.548e+03 (atom 5746)
Step 2591, Epot=-2.376141e+05, Fnorm=2.844e+02, Fmax=1.848e+03 (atom 6226)
Step 2592, Epot=-2.376150e+05, Fnorm=2.838e+02, Fmax=1.809e+03 (atom 3574)
Step 2593, Epot=-2.376159e+05, Fnorm=2.838e+02, Fmax=1.605e+03 (atom 802)
Step 2594, Epot=-2.376169e+05, Fnorm=2.882e+02, Fmax=1.905e+03 (atom 1708)
Step 2595, Epot=-2.376179e+05, Fnorm=2.844e+02, Fmax=1.560e+03 (atom 6124)
Step 2596, Epot=-2.376189e+05, Fnorm=2.884e+02, Fmax=2.000e+03 (atom 4498)
Step 2597, Epot=-2.376199e+05, Fnorm=2.794e+02, Fmax=1.392e+03 (atom 1486)
Step 2598, Epot=-2.376209e+05, Fnorm=2.784e+02, Fmax=1.674e+03 (atom 5668)
Step 2599, Epot=-2.376218e+05, Fnorm=2.828e+02, Fmax=1.997e+03 (atom 4498)
Step 2600, Epot=-2.376228e+05, Fnorm=2.877e+02, Fmax=1.554e+03 (atom 3958)
Step 2601, Epot=-2.376239e+05, Fnorm=2.872e+02, Fmax=1.896e+03 (atom 1708)
Step 2602, Epot=-2.376250e+05, Fnorm=2.814e+02, Fmax=1.790e+03 (atom 3574)
Step 2603, Epot=-2.376260e+05, Fnorm=2.791e+02, Fmax=2.528e+03 (atom 5482)
Step 2604, Epot=-2.376268e+05, Fnorm=2.773e+02, Fmax=1.577e+03 (atom 6082)
Step 2605, Epot=-2.376279e+05, Fnorm=2.755e+02, Fmax=1.371e+03 (atom 3700)
Step 2606, Epot=-2.376290e+05, Fnorm=2.888e+02, Fmax=1.879e+03 (atom 5422)
Step 2607, Epot=-2.376299e+05, Fnorm=2.892e+02, Fmax=1.794e+03 (atom 436)
Step 2608, Epot=-2.376311e+05, Fnorm=2.839e+02, Fmax=1.794e+03 (atom 436)
Step 2609, Epot=-2.376322e+05, Fnorm=2.783e+02, Fmax=2.184e+03 (atom 4696)
Step 2610, Epot=-2.376332e+05, Fnorm=2.786e+02, Fmax=1.673e+03 (atom 5878)
Step 2611, Epot=-2.376342e+05, Fnorm=2.770e+02, Fmax=1.462e+03 (atom 730)
Step 2612, Epot=-2.376355e+05, Fnorm=2.798e+02, Fmax=1.579e+03 (atom 3958)
Step 2613, Epot=-2.376367e+05, Fnorm=2.905e+02, Fmax=1.679e+03 (atom 2596)
Step 2614, Epot=-2.376379e+05, Fnorm=2.853e+02, Fmax=1.884e+03 (atom 3898)
Step 2615, Epot=-2.376392e+05, Fnorm=2.819e+02, Fmax=1.893e+03 (atom 1708)
Step 2616, Epot=-2.376404e+05, Fnorm=2.771e+02, Fmax=1.475e+03 (atom 1336)
Step 2617, Epot=-2.376416e+05, Fnorm=2.809e+02, Fmax=1.668e+03 (atom 6076)
Step 2618, Epot=-2.376429e+05, Fnorm=2.838e+02, Fmax=1.931e+03 (atom 1972)
Step 2619, Epot=-2.376675e+05, Fnorm=2.921e+02, Fmax=2.237e+03 (atom 2968)
Step 2620, Epot=-2.376688e+05, Fnorm=2.769e+02, Fmax=1.833e+03 (atom 3310)
Step 2621, Epot=-2.376699e+05, Fnorm=2.746e+02, Fmax=1.499e+03 (atom 1402)
Step 2622, Epot=-2.376711e+05, Fnorm=2.813e+02, Fmax=1.668e+03 (atom 1768)
Step 2623, Epot=-2.376722e+05, Fnorm=2.819e+02, Fmax=1.705e+03 (atom 4156)
Step 2624, Epot=-2.376736e+05, Fnorm=2.850e+02, Fmax=1.641e+03 (atom 3454)
Step 2625, Epot=-2.376748e+05, Fnorm=2.892e+02, Fmax=1.713e+03 (atom 2038)
Step 2626, Epot=-2.376763e+05, Fnorm=2.860e+02, Fmax=1.670e+03 (atom 1504)
Step 2627, Epot=-2.376780e+05, Fnorm=2.900e+02, Fmax=1.871e+03 (atom 3310)
Step 2628, Epot=-2.376796e+05, Fnorm=2.936e+02, Fmax=2.076e+03 (atom 3376)
Step 2629, Epot=-2.376812e+05, Fnorm=2.900e+02, Fmax=1.449e+03 (atom 394)
Step 2630, Epot=-2.376828e+05, Fnorm=2.767e+02, Fmax=1.759e+03 (atom 1354)
Step 2631, Epot=-2.376843e+05, Fnorm=2.794e+02, Fmax=1.873e+03 (atom 3898)
Step 2632, Epot=-2.376856e+05, Fnorm=2.733e+02, Fmax=1.589e+03 (atom 3910)
Step 2633, Epot=-2.376870e+05, Fnorm=2.807e+02, Fmax=1.695e+03 (atom 658)
Step 2634, Epot=-2.376885e+05, Fnorm=2.808e+02, Fmax=1.594e+03 (atom 5494)
Step 2635, Epot=-2.376664e+05, Fnorm=2.844e+02, Fmax=1.759e+03 (atom 4096)
Step 2636, Epot=-2.376678e+05, Fnorm=2.852e+02, Fmax=2.042e+03 (atom 2836)
Step 2637, Epot=-2.376692e+05, Fnorm=2.831e+02, Fmax=1.781e+03 (atom 436)
Step 2638, Epot=-2.376705e+05, Fnorm=2.811e+02, Fmax=1.388e+03 (atom 2098)
Step 2639, Epot=-2.376719e+05, Fnorm=2.862e+02, Fmax=2.102e+03 (atom 4330)
Step 2640, Epot=-2.376732e+05, Fnorm=2.813e+02, Fmax=1.789e+03 (atom 3184)
Step 2641, Epot=-2.376747e+05, Fnorm=2.918e+02, Fmax=1.644e+03 (atom 3184)
Step 2642, Epot=-2.376762e+05, Fnorm=2.848e+02, Fmax=1.653e+03 (atom 3454)
Step 2643, Epot=-2.376776e+05, Fnorm=2.811e+02, Fmax=1.507e+03 (atom 6082)
Step 2644, Epot=-2.376790e+05, Fnorm=2.915e+02, Fmax=1.978e+03 (atom 1354)
Step 2645, Epot=-2.376803e+05, Fnorm=2.915e+02, Fmax=1.775e+03 (atom 436)
Step 2646, Epot=-2.376816e+05, Fnorm=2.783e+02, Fmax=1.712e+03 (atom 2038)
Step 2647, Epot=-2.376829e+05, Fnorm=2.749e+02, Fmax=1.936e+03 (atom 4030)
Step 2648, Epot=-2.376842e+05, Fnorm=2.856e+02, Fmax=1.940e+03 (atom 4030)
Step 2649, Epot=-2.376854e+05, Fnorm=2.820e+02, Fmax=1.531e+03 (atom 5938)
Step 2650, Epot=-2.376869e+05, Fnorm=2.810e+02, Fmax=1.454e+03 (atom 3892)
Step 2651, Epot=-2.376883e+05, Fnorm=2.916e+02, Fmax=2.104e+03 (atom 5482)
Step 2652, Epot=-2.376896e+05, Fnorm=2.867e+02, Fmax=1.872e+03 (atom 3310)
Step 2653, Epot=-2.376910e+05, Fnorm=2.829e+02, Fmax=1.705e+03 (atom 3574)
Step 2654, Epot=-2.376923e+05, Fnorm=2.825e+02, Fmax=1.696e+03 (atom 3508)
Step 2655, Epot=-2.376936e+05, Fnorm=2.836e+02, Fmax=1.514e+03 (atom 4666)
Step 2656, Epot=-2.376950e+05, Fnorm=2.857e+02, Fmax=1.576e+03 (atom 2500)
Step 2657, Epot=-2.376963e+05, Fnorm=2.797e+02, Fmax=1.526e+03 (atom 916)
Step 2658, Epot=-2.376976e+05, Fnorm=2.891e+02, Fmax=1.769e+03 (atom 436)
Step 2659, Epot=-2.376989e+05, Fnorm=2.856e+02, Fmax=1.770e+03 (atom 4096)
Step 2660, Epot=-2.377001e+05, Fnorm=2.835e+02, Fmax=1.625e+03 (atom 664)
Step 2661, Epot=-2.377014e+05, Fnorm=2.864e+02, Fmax=1.794e+03 (atom 2836)
Step 2662, Epot=-2.377027e+05, Fnorm=2.870e+02, Fmax=2.048e+03 (atom 3376)
Step 2663, Epot=-2.377040e+05, Fnorm=2.861e+02, Fmax=1.609e+03 (atom 1258)
Step 2664, Epot=-2.377053e+05, Fnorm=2.851e+02, Fmax=1.974e+03 (atom 4564)
Step 2665, Epot=-2.377066e+05, Fnorm=2.847e+02, Fmax=2.021e+03 (atom 4498)
Step 2666, Epot=-2.377079e+05, Fnorm=2.855e+02, Fmax=2.018e+03 (atom 2704)
Step 2667, Epot=-2.377092e+05, Fnorm=2.944e+02, Fmax=2.161e+03 (atom 2968)
Step 2668, Epot=-2.377107e+05, Fnorm=2.933e+02, Fmax=1.630e+03 (atom 664)
Step 2669, Epot=-2.377122e+05, Fnorm=2.840e+02, Fmax=1.659e+03 (atom 5956)
Step 2670, Epot=-2.377138e+05, Fnorm=2.849e+02, Fmax=2.044e+03 (atom 3376)
Step 2671, Epot=-2.377154e+05, Fnorm=2.940e+02, Fmax=2.119e+03 (atom 4330)
Step 2672, Epot=-2.377169e+05, Fnorm=2.887e+02, Fmax=1.524e+03 (atom 6010)
Step 2673, Epot=-2.377184e+05, Fnorm=2.888e+02, Fmax=1.746e+03 (atom 5428)
Step 2674, Epot=-2.377200e+05, Fnorm=2.797e+02, Fmax=2.011e+03 (atom 2704)
Step 2675, Epot=-2.377215e+05, Fnorm=2.822e+02, Fmax=1.601e+03 (atom 3910)
Step 2676, Epot=-2.377231e+05, Fnorm=2.880e+02, Fmax=1.602e+03 (atom 5692)
Step 2677, Epot=-2.377247e+05, Fnorm=2.910e+02, Fmax=1.585e+03 (atom 1774)
Step 2678, Epot=-2.377262e+05, Fnorm=2.794e+02, Fmax=1.686e+03 (atom 658)
Step 2679, Epot=-2.377278e+05, Fnorm=2.796e+02, Fmax=1.695e+03 (atom 1066)
Step 2680, Epot=-2.377295e+05, Fnorm=2.828e+02, Fmax=1.883e+03 (atom 5746)
Step 2681, Epot=-2.377311e+05, Fnorm=2.928e+02, Fmax=1.878e+03 (atom 5746)
Step 2682, Epot=-2.377328e+05, Fnorm=2.904e+02, Fmax=1.711e+03 (atom 3676)
Step 2683, Epot=-2.377344e+05, Fnorm=2.868e+02, Fmax=1.407e+03 (atom 4264)
Step 2684, Epot=-2.377360e+05, Fnorm=2.778e+02, Fmax=1.469e+03 (atom 4336)
Step 2685, Epot=-2.377375e+05, Fnorm=2.864e+02, Fmax=1.989e+03 (atom 4096)
Step 2686, Epot=-2.377389e+05, Fnorm=2.858e+02, Fmax=1.454e+03 (atom 4030)
Step 2687, Epot=-2.377403e+05, Fnorm=2.889e+02, Fmax=1.680e+03 (atom 5416)
Step 2688, Epot=-2.377419e+05, Fnorm=2.848e+02, Fmax=1.465e+03 (atom 5680)
Step 2689, Epot=-2.377435e+05, Fnorm=2.903e+02, Fmax=1.782e+03 (atom 5422)
Step 2690, Epot=-2.377451e+05, Fnorm=2.917e+02, Fmax=1.948e+03 (atom 1642)
Step 2691, Epot=-2.377466e+05, Fnorm=2.810e+02, Fmax=1.592e+03 (atom 916)
Step 2692, Epot=-2.377483e+05, Fnorm=2.862e+02, Fmax=1.660e+03 (atom 1510)
Step 2693, Epot=-2.377500e+05, Fnorm=2.865e+02, Fmax=1.781e+03 (atom 1510)
Step 2694, Epot=-2.377516e+05, Fnorm=2.859e+02, Fmax=1.650e+03 (atom 3442)
Step 2695, Epot=-2.377533e+05, Fnorm=2.844e+02, Fmax=1.770e+03 (atom 370)
Step 2696, Epot=-2.377549e+05, Fnorm=2.776e+02, Fmax=1.401e+03 (atom 2974)
Step 2697, Epot=-2.377564e+05, Fnorm=2.826e+02, Fmax=2.173e+03 (atom 562)
Step 2698, Epot=-2.377579e+05, Fnorm=2.842e+02, Fmax=2.176e+03 (atom 562)
Step 2699, Epot=-2.377593e+05, Fnorm=2.805e+02, Fmax=2.456e+03 (atom 562)
Step 2700, Epot=-2.377609e+05, Fnorm=2.868e+02, Fmax=1.828e+03 (atom 664)
Step 2701, Epot=-2.377624e+05, Fnorm=2.827e+02, Fmax=1.737e+03 (atom 562)
Step 2702, Epot=-2.377639e+05, Fnorm=2.800e+02, Fmax=1.702e+03 (atom 5956)
Step 2703, Epot=-2.377655e+05, Fnorm=2.818e+02, Fmax=1.874e+03 (atom 1330)
Step 2704, Epot=-2.377670e+05, Fnorm=2.887e+02, Fmax=1.710e+03 (atom 4156)
Step 2705, Epot=-2.377685e+05, Fnorm=2.835e+02, Fmax=1.504e+03 (atom 4696)
Step 2706, Epot=-2.377699e+05, Fnorm=2.855e+02, Fmax=1.624e+03 (atom 2848)
Step 2707, Epot=-2.377713e+05, Fnorm=2.833e+02, Fmax=1.713e+03 (atom 2392)
Step 2708, Epot=-2.377725e+05, Fnorm=2.806e+02, Fmax=1.451e+03 (atom 3196)
Step 2709, Epot=-2.377739e+05, Fnorm=2.737e+02, Fmax=1.478e+03 (atom 3826)
Step 2710, Epot=-2.377752e+05, Fnorm=2.847e+02, Fmax=1.840e+03 (atom 5944)
Step 2711, Epot=-2.377765e+05, Fnorm=2.896e+02, Fmax=1.610e+03 (atom 1336)
Step 2712, Epot=-2.377780e+05, Fnorm=2.874e+02, Fmax=2.051e+03 (atom 3376)
Step 2713, Epot=-2.377795e+05, Fnorm=2.917e+02, Fmax=1.661e+03 (atom 1768)
Step 2714, Epot=-2.377810e+05, Fnorm=2.901e+02, Fmax=1.953e+03 (atom 4498)
Step 2715, Epot=-2.377824e+05, Fnorm=2.867e+02, Fmax=1.538e+03 (atom 4030)
Step 2716, Epot=-2.377838e+05, Fnorm=2.855e+02, Fmax=1.524e+03 (atom 2848)
Step 2717, Epot=-2.377852e+05, Fnorm=2.800e+02, Fmax=1.597e+03 (atom 1774)
Step 2718, Epot=-2.377866e+05, Fnorm=2.786e+02, Fmax=1.603e+03 (atom 5164)
Step 2719, Epot=-2.377879e+05, Fnorm=2.797e+02, Fmax=1.720e+03 (atom 6076)
Step 2720, Epot=-2.377890e+05, Fnorm=2.782e+02, Fmax=1.573e+03 (atom 5938)
Step 2721, Epot=-2.377903e+05, Fnorm=2.843e+02, Fmax=1.948e+03 (atom 4498)
Step 2722, Epot=-2.377914e+05, Fnorm=2.850e+02, Fmax=1.664e+03 (atom 5428)
Step 2723, Epot=-2.377926e+05, Fnorm=2.766e+02, Fmax=1.627e+03 (atom 802)
Step 2724, Epot=-2.377938e+05, Fnorm=2.832e+02, Fmax=1.698e+03 (atom 436)
Step 2725, Epot=-2.377950e+05, Fnorm=2.789e+02, Fmax=1.579e+03 (atom 5938)
Step 2726, Epot=-2.377962e+05, Fnorm=2.817e+02, Fmax=1.469e+03 (atom 5194)
Step 2727, Epot=-2.377975e+05, Fnorm=2.947e+02, Fmax=1.871e+03 (atom 2194)
Step 2728, Epot=-2.377988e+05, Fnorm=2.903e+02, Fmax=1.940e+03 (atom 4498)
Step 2729, Epot=-2.378002e+05, Fnorm=2.882e+02, Fmax=1.595e+03 (atom 3046)
Step 2730, Epot=-2.378015e+05, Fnorm=2.878e+02, Fmax=1.689e+03 (atom 2770)
Step 2731, Epot=-2.378028e+05, Fnorm=2.883e+02, Fmax=1.948e+03 (atom 1972)
Step 2732, Epot=-2.378040e+05, Fnorm=2.817e+02, Fmax=1.771e+03 (atom 1516)
Step 2733, Epot=-2.378054e+05, Fnorm=2.782e+02, Fmax=1.588e+03 (atom 1354)
Step 2734, Epot=-2.378067e+05, Fnorm=2.876e+02, Fmax=1.536e+03 (atom 3934)
Step 2735, Epot=-2.378082e+05, Fnorm=2.900e+02, Fmax=1.509e+03 (atom 4498)
Step 2736, Epot=-2.378096e+05, Fnorm=2.865e+02, Fmax=1.648e+03 (atom 3454)
Step 2737, Epot=-2.378110e+05, Fnorm=2.875e+02, Fmax=1.719e+03 (atom 5968)
Step 2738, Epot=-2.378125e+05, Fnorm=2.873e+02, Fmax=1.614e+03 (atom 5062)
Step 2739, Epot=-2.378139e+05, Fnorm=2.889e+02, Fmax=1.686e+03 (atom 436)
Step 2740, Epot=-2.378153e+05, Fnorm=2.838e+02, Fmax=1.751e+03 (atom 4156)
Step 2741, Epot=-2.378168e+05, Fnorm=2.796e+02, Fmax=1.455e+03 (atom 3826)
Step 2742, Epot=-2.378183e+05, Fnorm=2.850e+02, Fmax=1.941e+03 (atom 4498)
Step 2743, Epot=-2.378197e+05, Fnorm=2.855e+02, Fmax=1.941e+03 (atom 4498)
Step 2744, Epot=-2.378211e+05, Fnorm=2.820e+02, Fmax=1.577e+03 (atom 3958)
Step 2745, Epot=-2.378225e+05, Fnorm=2.834e+02, Fmax=1.578e+03 (atom 3958)
Step 2746, Epot=-2.378240e+05, Fnorm=2.818e+02, Fmax=1.661e+03 (atom 2836)
Step 2747, Epot=-2.378257e+05, Fnorm=2.862e+02, Fmax=1.684e+03 (atom 3100)
Step 2748, Epot=-2.378273e+05, Fnorm=2.890e+02, Fmax=1.690e+03 (atom 3508)
Step 2749, Epot=-2.378288e+05, Fnorm=2.849e+02, Fmax=1.599e+03 (atom 3910)
Step 2750, Epot=-2.378304e+05, Fnorm=2.835e+02, Fmax=1.585e+03 (atom 1774)
Step 2751, Epot=-2.378320e+05, Fnorm=2.834e+02, Fmax=1.585e+03 (atom 916)
Step 2752, Epot=-2.378335e+05, Fnorm=2.803e+02, Fmax=1.652e+03 (atom 3442)
Step 2753, Epot=-2.378349e+05, Fnorm=2.789e+02, Fmax=1.944e+03 (atom 4498)
Step 2754, Epot=-2.378364e+05, Fnorm=2.826e+02, Fmax=1.674e+03 (atom 2392)
Step 2755, Epot=-2.378378e+05, Fnorm=2.809e+02, Fmax=1.492e+03 (atom 2830)
Step 2756, Epot=-2.378393e+05, Fnorm=2.817e+02, Fmax=1.611e+03 (atom 5494)
Step 2757, Epot=-2.378408e+05, Fnorm=2.889e+02, Fmax=2.100e+03 (atom 4330)
Step 2758, Epot=-2.378422e+05, Fnorm=2.884e+02, Fmax=2.370e+03 (atom 2770)
Step 2759, Epot=-2.378437e+05, Fnorm=2.860e+02, Fmax=2.059e+03 (atom 3376)
Step 2760, Epot=-2.378450e+05, Fnorm=2.828e+02, Fmax=1.583e+03 (atom 916)
Step 2761, Epot=-2.378463e+05, Fnorm=2.802e+02, Fmax=1.507e+03 (atom 922)
Step 2762, Epot=-2.378476e+05, Fnorm=2.852e+02, Fmax=1.588e+03 (atom 1642)
Step 2763, Epot=-2.378490e+05, Fnorm=2.835e+02, Fmax=1.814e+03 (atom 3520)
Step 2764, Epot=-2.378503e+05, Fnorm=2.772e+02, Fmax=1.580e+03 (atom 1774)
Step 2765, Epot=-2.378516e+05, Fnorm=2.858e+02, Fmax=1.564e+03 (atom 1774)
Step 2766, Epot=-2.378529e+05, Fnorm=2.886e+02, Fmax=1.915e+03 (atom 2194)
Step 2767, Epot=-2.378543e+05, Fnorm=2.878e+02, Fmax=1.711e+03 (atom 2596)
Step 2768, Epot=-2.378558e+05, Fnorm=2.910e+02, Fmax=1.711e+03 (atom 2596)
Step 2769, Epot=-2.378572e+05, Fnorm=2.845e+02, Fmax=1.802e+03 (atom 4264)
Step 2770, Epot=-2.378586e+05, Fnorm=2.771e+02, Fmax=1.803e+03 (atom 4264)
Step 2771, Epot=-2.378602e+05, Fnorm=2.778e+02, Fmax=1.924e+03 (atom 2194)
Step 2772, Epot=-2.378615e+05, Fnorm=2.839e+02, Fmax=1.691e+03 (atom 1504)
Step 2773, Epot=-2.378630e+05, Fnorm=2.886e+02, Fmax=1.692e+03 (atom 1504)
Step 2774, Epot=-2.378643e+05, Fnorm=2.839e+02, Fmax=2.204e+03 (atom 2968)
Step 2775, Epot=-2.378658e+05, Fnorm=2.822e+02, Fmax=1.657e+03 (atom 3310)
Step 2776, Epot=-2.378672e+05, Fnorm=2.815e+02, Fmax=1.438e+03 (atom 3826)
Step 2777, Epot=-2.378686e+05, Fnorm=2.863e+02, Fmax=2.064e+03 (atom 3376)
Step 2778, Epot=-2.378701e+05, Fnorm=2.877e+02, Fmax=1.544e+03 (atom 5938)
Step 2779, Epot=-2.378717e+05, Fnorm=2.829e+02, Fmax=1.690e+03 (atom 3508)
Step 2780, Epot=-2.378732e+05, Fnorm=2.911e+02, Fmax=1.639e+03 (atom 2848)
Step 2781, Epot=-2.378747e+05, Fnorm=2.909e+02, Fmax=1.720e+03 (atom 2038)
Step 2782, Epot=-2.378762e+05, Fnorm=2.785e+02, Fmax=1.510e+03 (atom 5434)
Step 2783, Epot=-2.378777e+05, Fnorm=2.759e+02, Fmax=1.497e+03 (atom 922)
Step 2784, Epot=-2.378792e+05, Fnorm=2.805e+02, Fmax=1.580e+03 (atom 4030)
Step 2785, Epot=-2.378807e+05, Fnorm=2.863e+02, Fmax=1.581e+03 (atom 4030)
Step 2786, Epot=-2.378822e+05, Fnorm=2.874e+02, Fmax=1.574e+03 (atom 5956)
Step 2787, Epot=-2.378836e+05, Fnorm=2.828e+02, Fmax=1.519e+03 (atom 3964)
Step 2788, Epot=-2.378850e+05, Fnorm=2.896e+02, Fmax=2.122e+03 (atom 4762)
Step 2789, Epot=-2.378866e+05, Fnorm=2.810e+02, Fmax=1.490e+03 (atom 670)
Step 2790, Epot=-2.378882e+05, Fnorm=2.792e+02, Fmax=1.458e+03 (atom 2710)
Step 2791, Epot=-2.378898e+05, Fnorm=2.824e+02, Fmax=1.966e+03 (atom 4498)
Step 2792, Epot=-2.378914e+05, Fnorm=2.877e+02, Fmax=1.687e+03 (atom 5890)
Step 2793, Epot=-2.378930e+05, Fnorm=2.867e+02, Fmax=1.853e+03 (atom 3310)
Step 2794, Epot=-2.378944e+05, Fnorm=2.849e+02, Fmax=2.003e+03 (atom 4030)
Step 2795, Epot=-2.378959e+05, Fnorm=2.845e+02, Fmax=1.911e+03 (atom 2194)
Step 2796, Epot=-2.378973e+05, Fnorm=2.845e+02, Fmax=1.672e+03 (atom 6076)
Step 2797, Epot=-2.378988e+05, Fnorm=2.795e+02, Fmax=1.488e+03 (atom 1774)
Step 2798, Epot=-2.379001e+05, Fnorm=2.825e+02, Fmax=1.546e+03 (atom 4498)
Step 2799, Epot=-2.379016e+05, Fnorm=2.882e+02, Fmax=1.836e+03 (atom 1642)
Step 2800, Epot=-2.379032e+05, Fnorm=2.937e+02, Fmax=2.107e+03 (atom 4330)
Step 2801, Epot=-2.379045e+05, Fnorm=2.829e+02, Fmax=1.640e+03 (atom 4006)
Step 2802, Epot=-2.379059e+05, Fnorm=2.826e+02, Fmax=1.897e+03 (atom 1330)
Step 2803, Epot=-2.379073e+05, Fnorm=2.798e+02, Fmax=2.153e+03 (atom 4762)
Step 2804, Epot=-2.379085e+05, Fnorm=2.790e+02, Fmax=1.667e+03 (atom 4156)
Step 2805, Epot=-2.379098e+05, Fnorm=2.831e+02, Fmax=1.990e+03 (atom 4030)
Step 2806, Epot=-2.379112e+05, Fnorm=2.892e+02, Fmax=1.657e+03 (atom 4156)
Step 2807, Epot=-2.379125e+05, Fnorm=2.830e+02, Fmax=1.985e+03 (atom 2770)
Step 2808, Epot=-2.379139e+05, Fnorm=2.802e+02, Fmax=1.570e+03 (atom 1774)
Step 2809, Epot=-2.379151e+05, Fnorm=2.865e+02, Fmax=1.570e+03 (atom 1774)
Step 2810, Epot=-2.379164e+05, Fnorm=2.842e+02, Fmax=1.593e+03 (atom 5062)
Step 2811, Epot=-2.379178e+05, Fnorm=2.868e+02, Fmax=1.940e+03 (atom 4264)
Step 2812, Epot=-2.379190e+05, Fnorm=2.882e+02, Fmax=1.507e+03 (atom 2848)
Step 2813, Epot=-2.379201e+05, Fnorm=2.798e+02, Fmax=1.500e+03 (atom 2848)
Step 2814, Epot=-2.379213e+05, Fnorm=2.873e+02, Fmax=1.742e+03 (atom 1504)
Step 2815, Epot=-2.379225e+05, Fnorm=2.832e+02, Fmax=1.605e+03 (atom 5956)
Step 2816, Epot=-2.379235e+05, Fnorm=2.829e+02, Fmax=2.016e+03 (atom 4564)
Step 2817, Epot=-2.379247e+05, Fnorm=2.873e+02, Fmax=1.991e+03 (atom 1972)
Step 2818, Epot=-2.379258e+05, Fnorm=2.847e+02, Fmax=2.049e+03 (atom 1708)
Step 2819, Epot=-2.379269e+05, Fnorm=2.814e+02, Fmax=2.048e+03 (atom 1708)
Step 2820, Epot=-2.379280e+05, Fnorm=2.833e+02, Fmax=1.632e+03 (atom 5692)
Step 2821, Epot=-2.379291e+05, Fnorm=2.856e+02, Fmax=1.467e+03 (atom 1402)
Step 2822, Epot=-2.379302e+05, Fnorm=2.799e+02, Fmax=1.717e+03 (atom 562)
Step 2823, Epot=-2.379313e+05, Fnorm=2.872e+02, Fmax=1.847e+03 (atom 3898)
Step 2824, Epot=-2.379324e+05, Fnorm=2.873e+02, Fmax=1.717e+03 (atom 562)
Step 2825, Epot=-2.379336e+05, Fnorm=2.771e+02, Fmax=1.629e+03 (atom 1258)
Step 2826, Epot=-2.379348e+05, Fnorm=2.789e+02, Fmax=1.510e+03 (atom 5080)
Step 2827, Epot=-2.379358e+05, Fnorm=2.855e+02, Fmax=1.598e+03 (atom 5494)
Step 2828, Epot=-2.379369e+05, Fnorm=2.827e+02, Fmax=1.523e+03 (atom 5746)
Step 2829, Epot=-2.379381e+05, Fnorm=2.828e+02, Fmax=1.592e+03 (atom 586)
Step 2830, Epot=-2.379392e+05, Fnorm=2.800e+02, Fmax=1.982e+03 (atom 4498)
Step 2831, Epot=-2.379402e+05, Fnorm=2.835e+02, Fmax=1.683e+03 (atom 3508)
Step 2832, Epot=-2.379413e+05, Fnorm=2.786e+02, Fmax=2.104e+03 (atom 4330)
Step 2833, Epot=-2.379424e+05, Fnorm=2.759e+02, Fmax=1.418e+03 (atom 5536)
Step 2834, Epot=-2.379433e+05, Fnorm=2.918e+02, Fmax=2.189e+03 (atom 664)
Step 2835, Epot=-2.379445e+05, Fnorm=2.838e+02, Fmax=1.523e+03 (atom 3970)
Step 2836, Epot=-2.379456e+05, Fnorm=2.862e+02, Fmax=1.579e+03 (atom 3574)
Step 2837, Epot=-2.379468e+05, Fnorm=2.832e+02, Fmax=1.809e+03 (atom 1516)
Step 2838, Epot=-2.379480e+05, Fnorm=2.791e+02, Fmax=1.504e+03 (atom 586)
Step 2839, Epot=-2.379491e+05, Fnorm=2.834e+02, Fmax=1.685e+03 (atom 3508)
Step 2840, Epot=-2.379502e+05, Fnorm=2.782e+02, Fmax=1.505e+03 (atom 5032)
Step 2841, Epot=-2.379513e+05, Fnorm=2.854e+02, Fmax=1.473e+03 (atom 2098)
Step 2842, Epot=-2.379525e+05, Fnorm=2.853e+02, Fmax=1.537e+03 (atom 3964)
Step 2843, Epot=-2.379537e+05, Fnorm=2.919e+02, Fmax=1.845e+03 (atom 4264)
Step 2844, Epot=-2.379548e+05, Fnorm=2.824e+02, Fmax=1.978e+03 (atom 4030)
Step 2845, Epot=-2.379559e+05, Fnorm=2.793e+02, Fmax=1.725e+03 (atom 6076)
Step 2846, Epot=-2.379569e+05, Fnorm=2.810e+02, Fmax=1.680e+03 (atom 1768)
Step 2847, Epot=-2.379579e+05, Fnorm=2.829e+02, Fmax=1.537e+03 (atom 5686)
Step 2848, Epot=-2.379589e+05, Fnorm=2.869e+02, Fmax=1.832e+03 (atom 5680)
Step 2849, Epot=-2.379600e+05, Fnorm=2.832e+02, Fmax=1.802e+03 (atom 5422)
Step 2850, Epot=-2.379609e+05, Fnorm=2.837e+02, Fmax=1.549e+03 (atom 3964)
Step 2851, Epot=-2.379619e+05, Fnorm=2.893e+02, Fmax=1.575e+03 (atom 3574)
Step 2852, Epot=-2.379629e+05, Fnorm=2.834e+02, Fmax=1.964e+03 (atom 5746)
Step 2853, Epot=-2.379639e+05, Fnorm=2.827e+02, Fmax=1.668e+03 (atom 4156)
Step 2854, Epot=-2.379649e+05, Fnorm=2.792e+02, Fmax=1.607e+03 (atom 5482)
Step 2855, Epot=-2.379658e+05, Fnorm=2.848e+02, Fmax=1.986e+03 (atom 4498)
Step 2856, Epot=-2.379668e+05, Fnorm=2.902e+02, Fmax=2.150e+03 (atom 1336)
Step 2857, Epot=-2.379677e+05, Fnorm=2.843e+02, Fmax=1.708e+03 (atom 1336)
Step 2858, Epot=-2.379687e+05, Fnorm=2.884e+02, Fmax=1.538e+03 (atom 916)
Step 2859, Epot=-2.379698e+05, Fnorm=2.807e+02, Fmax=1.557e+03 (atom 3910)
Step 2860, Epot=-2.379708e+05, Fnorm=2.885e+02, Fmax=1.757e+03 (atom 466)
Step 2861, Epot=-2.379719e+05, Fnorm=2.829e+02, Fmax=1.600e+03 (atom 562)
Step 2862, Epot=-2.379728e+05, Fnorm=2.835e+02, Fmax=1.607e+03 (atom 1066)
Step 2863, Epot=-2.379738e+05, Fnorm=2.786e+02, Fmax=1.607e+03 (atom 1066)
Step 2864, Epot=-2.379748e+05, Fnorm=2.883e+02, Fmax=1.962e+03 (atom 3574)
Step 2865, Epot=-2.379759e+05, Fnorm=2.834e+02, Fmax=1.689e+03 (atom 5428)
Step 2866, Epot=-2.379770e+05, Fnorm=2.877e+02, Fmax=1.420e+03 (atom 4996)
Step 2867, Epot=-2.379781e+05, Fnorm=2.819e+02, Fmax=1.464e+03 (atom 5812)
Step 2868, Epot=-2.379791e+05, Fnorm=2.902e+02, Fmax=1.668e+03 (atom 1258)
Step 2869, Epot=-2.379802e+05, Fnorm=2.870e+02, Fmax=1.541e+03 (atom 5746)
Step 2870, Epot=-2.379815e+05, Fnorm=2.858e+02, Fmax=1.995e+03 (atom 4030)
Step 2871, Epot=-2.379826e+05, Fnorm=2.826e+02, Fmax=1.547e+03 (atom 5746)
Step 2872, Epot=-2.379838e+05, Fnorm=2.795e+02, Fmax=1.548e+03 (atom 5746)
Step 2873, Epot=-2.379848e+05, Fnorm=2.882e+02, Fmax=1.943e+03 (atom 3574)
Step 2874, Epot=-2.379860e+05, Fnorm=2.844e+02, Fmax=1.417e+03 (atom 6088)
Step 2875, Epot=-2.379872e+05, Fnorm=2.835e+02, Fmax=1.480e+03 (atom 1774)
Step 2876, Epot=-2.379884e+05, Fnorm=2.860e+02, Fmax=2.171e+03 (atom 2968)
Step 2877, Epot=-2.379896e+05, Fnorm=2.848e+02, Fmax=1.763e+03 (atom 1354)
Step 2878, Epot=-2.379908e+05, Fnorm=2.831e+02, Fmax=1.699e+03 (atom 2596)
Step 2879, Epot=-2.379919e+05, Fnorm=2.867e+02, Fmax=1.688e+03 (atom 4156)
Step 2880, Epot=-2.379931e+05, Fnorm=2.808e+02, Fmax=1.492e+03 (atom 2764)
Step 2881, Epot=-2.379943e+05, Fnorm=2.812e+02, Fmax=1.540e+03 (atom 598)
Step 2882, Epot=-2.379955e+05, Fnorm=2.833e+02, Fmax=1.635e+03 (atom 4996)
Step 2883, Epot=-2.379966e+05, Fnorm=2.775e+02, Fmax=1.657e+03 (atom 802)
Step 2884, Epot=-2.379976e+05, Fnorm=2.823e+02, Fmax=1.574e+03 (atom 5482)
Step 2885, Epot=-2.379987e+05, Fnorm=2.789e+02, Fmax=1.754e+03 (atom 1774)
Step 2886, Epot=-2.379997e+05, Fnorm=2.814e+02, Fmax=1.669e+03 (atom 3508)
Step 2887, Epot=-2.380007e+05, Fnorm=2.850e+02, Fmax=1.701e+03 (atom 1768)
Step 2888, Epot=-2.380017e+05, Fnorm=2.862e+02, Fmax=1.796e+03 (atom 3970)
Step 2889, Epot=-2.380027e+05, Fnorm=2.829e+02, Fmax=1.997e+03 (atom 1708)
Step 2890, Epot=-2.380037e+05, Fnorm=2.805e+02, Fmax=1.569e+03 (atom 4498)
Step 2891, Epot=-2.380048e+05, Fnorm=2.846e+02, Fmax=1.528e+03 (atom 5746)
Step 2892, Epot=-2.380058e+05, Fnorm=2.878e+02, Fmax=1.594e+03 (atom 6082)
Step 2893, Epot=-2.380070e+05, Fnorm=2.875e+02, Fmax=2.011e+03 (atom 4030)
Step 2894, Epot=-2.380081e+05, Fnorm=2.837e+02, Fmax=1.699e+03 (atom 1768)
Step 2895, Epot=-2.380092e+05, Fnorm=2.848e+02, Fmax=1.757e+03 (atom 994)
Step 2896, Epot=-2.380103e+05, Fnorm=2.808e+02, Fmax=1.694e+03 (atom 1516)
Step 2897, Epot=-2.380114e+05, Fnorm=2.824e+02, Fmax=1.602e+03 (atom 5956)
Step 2898, Epot=-2.380126e+05, Fnorm=2.816e+02, Fmax=1.572e+03 (atom 3454)
Step 2899, Epot=-2.380138e+05, Fnorm=2.915e+02, Fmax=1.932e+03 (atom 4564)
Step 2900, Epot=-2.380149e+05, Fnorm=2.873e+02, Fmax=1.881e+03 (atom 6226)
Step 2901, Epot=-2.380161e+05, Fnorm=2.804e+02, Fmax=1.548e+03 (atom 5482)
Step 2902, Epot=-2.380171e+05, Fnorm=2.847e+02, Fmax=2.417e+03 (atom 3508)
Step 2903, Epot=-2.380182e+05, Fnorm=2.811e+02, Fmax=1.552e+03 (atom 598)
Step 2904, Epot=-2.380194e+05, Fnorm=2.856e+02, Fmax=1.494e+03 (atom 4030)
Step 2905, Epot=-2.380206e+05, Fnorm=2.773e+02, Fmax=1.513e+03 (atom 1642)
Step 2906, Epot=-2.380218e+05, Fnorm=2.794e+02, Fmax=1.671e+03 (atom 1258)
Step 2907, Epot=-2.380230e+05, Fnorm=2.941e+02, Fmax=1.602e+03 (atom 916)
Step 2908, Epot=-2.380243e+05, Fnorm=2.944e+02, Fmax=1.932e+03 (atom 922)
Step 2909, Epot=-2.380256e+05, Fnorm=2.814e+02, Fmax=1.624e+03 (atom 1516)
Step 2910, Epot=-2.380269e+05, Fnorm=2.842e+02, Fmax=1.714e+03 (atom 3370)
Step 2911, Epot=-2.380282e+05, Fnorm=2.828e+02, Fmax=1.496e+03 (atom 2038)
Step 2912, Epot=-2.380295e+05, Fnorm=2.837e+02, Fmax=1.597e+03 (atom 3574)
Step 2913, Epot=-2.380308e+05, Fnorm=2.780e+02, Fmax=2.044e+03 (atom 4030)
Step 2914, Epot=-2.380321e+05, Fnorm=2.784e+02, Fmax=1.599e+03 (atom 6010)
Step 2915, Epot=-2.380567e+05, Fnorm=2.843e+02, Fmax=1.769e+03 (atom 2038)
Step 2916, Epot=-2.380582e+05, Fnorm=2.839e+02, Fmax=1.592e+03 (atom 1516)
Step 2917, Epot=-2.380595e+05, Fnorm=2.897e+02, Fmax=1.611e+03 (atom 4996)
Step 2918, Epot=-2.380608e+05, Fnorm=2.853e+02, Fmax=1.608e+03 (atom 1504)
Step 2919, Epot=-2.380621e+05, Fnorm=2.834e+02, Fmax=1.674e+03 (atom 4006)
Step 2920, Epot=-2.380634e+05, Fnorm=2.808e+02, Fmax=1.652e+03 (atom 5434)
Step 2921, Epot=-2.380647e+05, Fnorm=2.859e+02, Fmax=2.260e+03 (atom 1774)
Step 2922, Epot=-2.380660e+05, Fnorm=2.871e+02, Fmax=1.796e+03 (atom 3310)
Step 2923, Epot=-2.380674e+05, Fnorm=2.898e+02, Fmax=1.764e+03 (atom 4762)
Step 2924, Epot=-2.380688e+05, Fnorm=2.930e+02, Fmax=1.518e+03 (atom 1618)
Step 2925, Epot=-2.380701e+05, Fnorm=2.868e+02, Fmax=1.810e+03 (atom 3520)
Step 2926, Epot=-2.380714e+05, Fnorm=2.797e+02, Fmax=2.010e+03 (atom 4030)
Step 2927, Epot=-2.380727e+05, Fnorm=2.808e+02, Fmax=1.710e+03 (atom 466)
Step 2928, Epot=-2.380739e+05, Fnorm=2.832e+02, Fmax=1.661e+03 (atom 5956)
Step 2929, Epot=-2.380752e+05, Fnorm=2.777e+02, Fmax=1.542e+03 (atom 5170)
Step 2930, Epot=-2.380764e+05, Fnorm=2.865e+02, Fmax=2.042e+03 (atom 3508)
Step 2931, Epot=-2.380777e+05, Fnorm=2.892e+02, Fmax=2.118e+03 (atom 4330)
Step 2932, Epot=-2.380791e+05, Fnorm=2.909e+02, Fmax=1.829e+03 (atom 3310)
Step 2933, Epot=-2.380804e+05, Fnorm=2.882e+02, Fmax=1.604e+03 (atom 3910)
Step 2934, Epot=-2.380817e+05, Fnorm=2.879e+02, Fmax=1.682e+03 (atom 4006)
Step 2935, Epot=-2.380830e+05, Fnorm=2.844e+02, Fmax=2.021e+03 (atom 3574)
Step 2936, Epot=-2.380842e+05, Fnorm=2.787e+02, Fmax=1.687e+03 (atom 5014)
Step 2937, Epot=-2.380855e+05, Fnorm=2.807e+02, Fmax=1.616e+03 (atom 3244)
Step 2938, Epot=-2.380868e+05, Fnorm=2.812e+02, Fmax=1.515e+03 (atom 3964)
Step 2939, Epot=-2.380881e+05, Fnorm=2.839e+02, Fmax=1.772e+03 (atom 4264)
Step 2940, Epot=-2.380893e+05, Fnorm=2.816e+02, Fmax=1.661e+03 (atom 1768)
Step 2941, Epot=-2.380905e+05, Fnorm=2.810e+02, Fmax=1.570e+03 (atom 4030)
Step 2942, Epot=-2.380917e+05, Fnorm=2.930e+02, Fmax=2.012e+03 (atom 4564)
Step 2943, Epot=-2.380930e+05, Fnorm=2.840e+02, Fmax=1.945e+03 (atom 2194)
Step 2944, Epot=-2.380942e+05, Fnorm=2.819e+02, Fmax=1.575e+03 (atom 1642)
Step 2945, Epot=-2.380955e+05, Fnorm=2.848e+02, Fmax=1.455e+03 (atom 2038)
Step 2946, Epot=-2.380967e+05, Fnorm=2.867e+02, Fmax=1.620e+03 (atom 4996)
Step 2947, Epot=-2.380979e+05, Fnorm=2.934e+02, Fmax=1.760e+03 (atom 1354)
Step 2948, Epot=-2.380993e+05, Fnorm=2.862e+02, Fmax=1.951e+03 (atom 334)
Step 2949, Epot=-2.381008e+05, Fnorm=2.857e+02, Fmax=1.434e+03 (atom 5164)
Step 2950, Epot=-2.381020e+05, Fnorm=2.817e+02, Fmax=1.640e+03 (atom 3910)
Step 2951, Epot=-2.381035e+05, Fnorm=2.804e+02, Fmax=1.642e+03 (atom 3910)
Step 2952, Epot=-2.381048e+05, Fnorm=2.863e+02, Fmax=1.798e+03 (atom 5422)
Step 2953, Epot=-2.381060e+05, Fnorm=2.820e+02, Fmax=1.827e+03 (atom 4264)
Step 2954, Epot=-2.381074e+05, Fnorm=2.778e+02, Fmax=1.563e+03 (atom 5428)
Step 2955, Epot=-2.381087e+05, Fnorm=2.826e+02, Fmax=1.669e+03 (atom 1768)
Step 2956, Epot=-2.381101e+05, Fnorm=2.884e+02, Fmax=1.667e+03 (atom 1768)
Step 2957, Epot=-2.381115e+05, Fnorm=2.930e+02, Fmax=2.417e+03 (atom 2836)
Step 2958, Epot=-2.381129e+05, Fnorm=2.873e+02, Fmax=2.416e+03 (atom 2836)
Step 2959, Epot=-2.381143e+05, Fnorm=2.797e+02, Fmax=1.576e+03 (atom 5674)
Step 2960, Epot=-2.381156e+05, Fnorm=2.796e+02, Fmax=1.736e+03 (atom 4984)
Step 2961, Epot=-2.381169e+05, Fnorm=2.787e+02, Fmax=1.609e+03 (atom 5686)
Step 2962, Epot=-2.381182e+05, Fnorm=2.796e+02, Fmax=1.714e+03 (atom 3508)
Step 2963, Epot=-2.381195e+05, Fnorm=2.864e+02, Fmax=1.966e+03 (atom 334)
Step 2964, Epot=-2.381208e+05, Fnorm=2.840e+02, Fmax=1.516e+03 (atom 6082)
Step 2965, Epot=-2.381220e+05, Fnorm=2.851e+02, Fmax=2.153e+03 (atom 466)
Step 2966, Epot=-2.381234e+05, Fnorm=2.819e+02, Fmax=1.672e+03 (atom 2038)
Step 2967, Epot=-2.381247e+05, Fnorm=2.821e+02, Fmax=1.718e+03 (atom 3508)
Step 2968, Epot=-2.381260e+05, Fnorm=2.912e+02, Fmax=2.445e+03 (atom 3508)
Step 2969, Epot=-2.381275e+05, Fnorm=2.848e+02, Fmax=1.573e+03 (atom 4630)
Step 2970, Epot=-2.381288e+05, Fnorm=2.810e+02, Fmax=1.570e+03 (atom 4630)
Step 2971, Epot=-2.381301e+05, Fnorm=2.756e+02, Fmax=1.677e+03 (atom 1402)
Step 2972, Epot=-2.381315e+05, Fnorm=2.754e+02, Fmax=1.457e+03 (atom 2008)
Step 2973, Epot=-2.381329e+05, Fnorm=2.832e+02, Fmax=1.912e+03 (atom 2854)
Step 2974, Epot=-2.381343e+05, Fnorm=2.835e+02, Fmax=1.559e+03 (atom 2854)
Step 2975, Epot=-2.381358e+05, Fnorm=2.881e+02, Fmax=1.649e+03 (atom 4156)
Step 2976, Epot=-2.381372e+05, Fnorm=2.845e+02, Fmax=1.678e+03 (atom 5956)
Step 2977, Epot=-2.381386e+05, Fnorm=2.799e+02, Fmax=1.680e+03 (atom 5956)
Step 2978, Epot=-2.381399e+05, Fnorm=2.837e+02, Fmax=1.537e+03 (atom 916)
Step 2979, Epot=-2.381414e+05, Fnorm=2.846e+02, Fmax=1.879e+03 (atom 5434)
Step 2980, Epot=-2.381429e+05, Fnorm=2.924e+02, Fmax=1.891e+03 (atom 370)
Step 2981, Epot=-2.381443e+05, Fnorm=2.944e+02, Fmax=2.167e+03 (atom 3898)
Step 2982, Epot=-2.381459e+05, Fnorm=2.845e+02, Fmax=1.479e+03 (atom 5152)
Step 2983, Epot=-2.381474e+05, Fnorm=2.906e+02, Fmax=1.452e+03 (atom 3826)
Step 2984, Epot=-2.381488e+05, Fnorm=2.807e+02, Fmax=1.713e+03 (atom 3508)
Step 2985, Epot=-2.381503e+05, Fnorm=2.735e+02, Fmax=1.672e+03 (atom 5806)
Step 2986, Epot=-2.381515e+05, Fnorm=2.800e+02, Fmax=1.995e+03 (atom 1330)
Step 2987, Epot=-2.381528e+05, Fnorm=2.847e+02, Fmax=1.924e+03 (atom 3442)
Step 2988, Epot=-2.381542e+05, Fnorm=2.796e+02, Fmax=1.659e+03 (atom 292)
Step 2989, Epot=-2.381555e+05, Fnorm=2.850e+02, Fmax=1.962e+03 (atom 3574)
Step 2990, Epot=-2.381567e+05, Fnorm=2.798e+02, Fmax=1.490e+03 (atom 2044)
Step 2991, Epot=-2.381579e+05, Fnorm=2.810e+02, Fmax=1.580e+03 (atom 862)
Step 2992, Epot=-2.381590e+05, Fnorm=2.791e+02, Fmax=1.856e+03 (atom 3310)
Step 2993, Epot=-2.381600e+05, Fnorm=2.780e+02, Fmax=1.652e+03 (atom 4156)
Step 2994, Epot=-2.381610e+05, Fnorm=2.824e+02, Fmax=2.038e+03 (atom 4498)
Step 2995, Epot=-2.381622e+05, Fnorm=2.858e+02, Fmax=1.856e+03 (atom 5422)
Step 2996, Epot=-2.381633e+05, Fnorm=2.872e+02, Fmax=1.854e+03 (atom 5422)
Step 2997, Epot=-2.381644e+05, Fnorm=2.847e+02, Fmax=1.540e+03 (atom 1642)
Step 2998, Epot=-2.381655e+05, Fnorm=2.886e+02, Fmax=1.614e+03 (atom 1066)
Step 2999, Epot=-2.381666e+05, Fnorm=2.840e+02, Fmax=1.878e+03 (atom 1336)
Step 3000, Epot=-2.381676e+05, Fnorm=2.858e+02, Fmax=2.159e+03 (atom 1336)
Step 3001, Epot=-2.381686e+05, Fnorm=2.787e+02, Fmax=1.503e+03 (atom 4630)
Step 3002, Epot=-2.381697e+05, Fnorm=2.828e+02, Fmax=1.651e+03 (atom 3454)
Step 3003, Epot=-2.381707e+05, Fnorm=2.824e+02, Fmax=1.632e+03 (atom 6082)
Step 3004, Epot=-2.381717e+05, Fnorm=2.803e+02, Fmax=1.661e+03 (atom 2038)
Step 3005, Epot=-2.381727e+05, Fnorm=2.721e+02, Fmax=1.477e+03 (atom 5938)
Step 3006, Epot=-2.381737e+05, Fnorm=2.741e+02, Fmax=1.427e+03 (atom 4696)
Step 3007, Epot=-2.381745e+05, Fnorm=2.834e+02, Fmax=1.742e+03 (atom 730)
Step 3008, Epot=-2.381755e+05, Fnorm=2.756e+02, Fmax=1.570e+03 (atom 4030)
Step 3009, Epot=-2.381765e+05, Fnorm=2.775e+02, Fmax=1.633e+03 (atom 6082)
Step 3010, Epot=-2.381775e+05, Fnorm=2.874e+02, Fmax=1.779e+03 (atom 1354)
Step 3011, Epot=-2.381784e+05, Fnorm=2.832e+02, Fmax=1.937e+03 (atom 3574)
Step 3012, Epot=-2.381795e+05, Fnorm=2.873e+02, Fmax=2.237e+03 (atom 4156)
Step 3013, Epot=-2.381807e+05, Fnorm=2.842e+02, Fmax=1.471e+03 (atom 2770)
Step 3014, Epot=-2.381817e+05, Fnorm=2.815e+02, Fmax=1.461e+03 (atom 2044)
Step 3015, Epot=-2.381829e+05, Fnorm=2.878e+02, Fmax=1.628e+03 (atom 6082)
Step 3016, Epot=-2.381841e+05, Fnorm=2.843e+02, Fmax=2.001e+03 (atom 2194)
Step 3017, Epot=-2.381852e+05, Fnorm=2.849e+02, Fmax=1.721e+03 (atom 6076)
Step 3018, Epot=-2.381864e+05, Fnorm=2.857e+02, Fmax=1.797e+03 (atom 5422)
Step 3019, Epot=-2.381875e+05, Fnorm=2.905e+02, Fmax=1.797e+03 (atom 5422)
Step 3020, Epot=-2.381885e+05, Fnorm=2.821e+02, Fmax=1.717e+03 (atom 5422)
Step 3021, Epot=-2.381896e+05, Fnorm=2.807e+02, Fmax=1.386e+03 (atom 1582)
Step 3022, Epot=-2.381907e+05, Fnorm=2.793e+02, Fmax=1.583e+03 (atom 6124)
Step 3023, Epot=-2.381918e+05, Fnorm=2.820e+02, Fmax=1.687e+03 (atom 3910)
Step 3024, Epot=-2.381928e+05, Fnorm=2.806e+02, Fmax=1.971e+03 (atom 1708)
Step 3025, Epot=-2.381940e+05, Fnorm=2.846e+02, Fmax=2.119e+03 (atom 3376)
Step 3026, Epot=-2.381950e+05, Fnorm=2.899e+02, Fmax=1.841e+03 (atom 1192)
Step 3027, Epot=-2.381961e+05, Fnorm=2.831e+02, Fmax=1.664e+03 (atom 5806)
Step 3028, Epot=-2.381970e+05, Fnorm=2.816e+02, Fmax=1.612e+03 (atom 2848)
Step 3029, Epot=-2.381980e+05, Fnorm=2.781e+02, Fmax=1.708e+03 (atom 586)
Step 3030, Epot=-2.381990e+05, Fnorm=2.792e+02, Fmax=1.752e+03 (atom 994)
Step 3031, Epot=-2.382000e+05, Fnorm=2.853e+02, Fmax=1.701e+03 (atom 4156)
Step 3032, Epot=-2.382011e+05, Fnorm=2.918e+02, Fmax=1.969e+03 (atom 3442)
Step 3033, Epot=-2.382022e+05, Fnorm=2.843e+02, Fmax=1.581e+03 (atom 1774)
Step 3034, Epot=-2.382032e+05, Fnorm=2.861e+02, Fmax=1.569e+03 (atom 5428)
Step 3035, Epot=-2.381807e+05, Fnorm=2.793e+02, Fmax=1.560e+03 (atom 1516)
Step 3036, Epot=-2.381817e+05, Fnorm=2.768e+02, Fmax=1.445e+03 (atom 2968)
Step 3037, Epot=-2.381825e+05, Fnorm=2.731e+02, Fmax=1.441e+03 (atom 3226)
Step 3038, Epot=-2.381833e+05, Fnorm=2.786e+02, Fmax=2.044e+03 (atom 4498)
Step 3039, Epot=-2.381842e+05, Fnorm=2.768e+02, Fmax=1.669e+03 (atom 5692)
Step 3040, Epot=-2.381850e+05, Fnorm=2.912e+02, Fmax=1.996e+03 (atom 1330)
Step 3041, Epot=-2.381858e+05, Fnorm=2.885e+02, Fmax=1.674e+03 (atom 3508)
Step 3042, Epot=-2.381867e+05, Fnorm=2.806e+02, Fmax=1.693e+03 (atom 3910)
Step 3043, Epot=-2.381875e+05, Fnorm=2.786e+02, Fmax=1.421e+03 (atom 1582)
Step 3044, Epot=-2.381883e+05, Fnorm=2.818e+02, Fmax=1.671e+03 (atom 370)
Step 3045, Epot=-2.381892e+05, Fnorm=2.841e+02, Fmax=1.645e+03 (atom 1846)
Step 3046, Epot=-2.381901e+05, Fnorm=2.826e+02, Fmax=1.505e+03 (atom 4558)
Step 3047, Epot=-2.381908e+05, Fnorm=2.867e+02, Fmax=1.551e+03 (atom 4912)
Step 3048, Epot=-2.381917e+05, Fnorm=2.808e+02, Fmax=1.996e+03 (atom 2194)
Step 3049, Epot=-2.381924e+05, Fnorm=2.821e+02, Fmax=1.748e+03 (atom 2770)
Step 3050, Epot=-2.381931e+05, Fnorm=2.809e+02, Fmax=1.536e+03 (atom 3838)
Step 3051, Epot=-2.381938e+05, Fnorm=2.753e+02, Fmax=1.390e+03 (atom 5422)
Step 3052, Epot=-2.381946e+05, Fnorm=2.832e+02, Fmax=1.804e+03 (atom 1768)
Step 3053, Epot=-2.381954e+05, Fnorm=2.911e+02, Fmax=1.718e+03 (atom 5872)
Step 3054, Epot=-2.381962e+05, Fnorm=2.855e+02, Fmax=1.922e+03 (atom 5152)
Step 3055, Epot=-2.381971e+05, Fnorm=2.851e+02, Fmax=1.611e+03 (atom 5482)
Step 3056, Epot=-2.381980e+05, Fnorm=2.771e+02, Fmax=1.949e+03 (atom 4564)
Step 3057, Epot=-2.381989e+05, Fnorm=2.761e+02, Fmax=1.949e+03 (atom 4564)
Step 3058, Epot=-2.381998e+05, Fnorm=2.762e+02, Fmax=1.585e+03 (atom 1354)
Step 3059, Epot=-2.382007e+05, Fnorm=2.829e+02, Fmax=2.411e+03 (atom 2770)
Step 3060, Epot=-2.382017e+05, Fnorm=2.829e+02, Fmax=1.506e+03 (atom 5938)
Step 3061, Epot=-2.382027e+05, Fnorm=2.845e+02, Fmax=1.662e+03 (atom 2596)
Step 3062, Epot=-2.382036e+05, Fnorm=2.823e+02, Fmax=1.524e+03 (atom 994)
Step 3063, Epot=-2.382045e+05, Fnorm=2.839e+02, Fmax=1.484e+03 (atom 5224)
Step 3064, Epot=-2.382054e+05, Fnorm=2.841e+02, Fmax=1.697e+03 (atom 3508)
Step 3065, Epot=-2.382064e+05, Fnorm=2.814e+02, Fmax=1.544e+03 (atom 3574)
Step 3066, Epot=-2.382072e+05, Fnorm=2.843e+02, Fmax=1.666e+03 (atom 5692)
Step 3067, Epot=-2.382081e+05, Fnorm=2.830e+02, Fmax=1.585e+03 (atom 2848)
Step 3068, Epot=-2.382090e+05, Fnorm=2.865e+02, Fmax=1.743e+03 (atom 2770)
Step 3069, Epot=-2.382099e+05, Fnorm=2.883e+02, Fmax=2.404e+03 (atom 2770)
Step 3070, Epot=-2.382108e+05, Fnorm=2.797e+02, Fmax=1.618e+03 (atom 4498)
Step 3071, Epot=-2.382117e+05, Fnorm=2.776e+02, Fmax=1.580e+03 (atom 1774)
Step 3072, Epot=-2.382125e+05, Fnorm=2.765e+02, Fmax=1.887e+03 (atom 370)
Step 3073, Epot=-2.382133e+05, Fnorm=2.807e+02, Fmax=1.532e+03 (atom 586)
Step 3074, Epot=-2.382142e+05, Fnorm=2.798e+02, Fmax=1.520e+03 (atom 730)
Step 3075, Epot=-2.382151e+05, Fnorm=2.864e+02, Fmax=1.596e+03 (atom 2038)
Step 3076, Epot=-2.382159e+05, Fnorm=2.859e+02, Fmax=1.894e+03 (atom 1708)
Step 3077, Epot=-2.382170e+05, Fnorm=2.885e+02, Fmax=1.691e+03 (atom 3310)
Step 3078, Epot=-2.382180e+05, Fnorm=2.891e+02, Fmax=1.691e+03 (atom 3310)
Step 3079, Epot=-2.382190e+05, Fnorm=2.951e+02, Fmax=1.788e+03 (atom 4264)
Step 3080, Epot=-2.382200e+05, Fnorm=2.823e+02, Fmax=1.641e+03 (atom 658)
Step 3081, Epot=-2.382210e+05, Fnorm=2.808e+02, Fmax=1.954e+03 (atom 2770)
Step 3082, Epot=-2.382220e+05, Fnorm=2.848e+02, Fmax=2.011e+03 (atom 2194)
Step 3083, Epot=-2.382229e+05, Fnorm=2.786e+02, Fmax=1.629e+03 (atom 4498)
Step 3084, Epot=-2.382238e+05, Fnorm=2.861e+02, Fmax=1.660e+03 (atom 5956)
Step 3085, Epot=-2.382247e+05, Fnorm=2.803e+02, Fmax=1.515e+03 (atom 4558)
Step 3086, Epot=-2.382256e+05, Fnorm=2.792e+02, Fmax=1.455e+03 (atom 3826)
Step 3087, Epot=-2.382265e+05, Fnorm=2.856e+02, Fmax=1.575e+03 (atom 1900)
Step 3088, Epot=-2.382275e+05, Fnorm=2.870e+02, Fmax=2.105e+03 (atom 3376)
Step 3089, Epot=-2.382285e+05, Fnorm=2.890e+02, Fmax=1.579e+03 (atom 466)
Step 3090, Epot=-2.382295e+05, Fnorm=2.862e+02, Fmax=1.675e+03 (atom 436)
Step 3091, Epot=-2.382306e+05, Fnorm=2.843e+02, Fmax=1.892e+03 (atom 3574)
Step 3092, Epot=-2.382318e+05, Fnorm=2.872e+02, Fmax=1.571e+03 (atom 6124)
Step 3093, Epot=-2.382329e+05, Fnorm=2.895e+02, Fmax=1.496e+03 (atom 1774)
Step 3094, Epot=-2.382339e+05, Fnorm=2.822e+02, Fmax=1.641e+03 (atom 3454)
Step 3095, Epot=-2.382349e+05, Fnorm=2.747e+02, Fmax=1.752e+03 (atom 1354)
Step 3096, Epot=-2.382359e+05, Fnorm=2.808e+02, Fmax=1.895e+03 (atom 1510)
Step 3097, Epot=-2.382369e+05, Fnorm=2.822e+02, Fmax=2.106e+03 (atom 994)
Step 3098, Epot=-2.382378e+05, Fnorm=2.846e+02, Fmax=1.644e+03 (atom 3442)
Step 3099, Epot=-2.382389e+05, Fnorm=2.890e+02, Fmax=1.992e+03 (atom 1330)
Step 3100, Epot=-2.382400e+05, Fnorm=2.791e+02, Fmax=1.774e+03 (atom 1192)
Step 3101, Epot=-2.382410e+05, Fnorm=2.813e+02, Fmax=1.633e+03 (atom 586)
Step 3102, Epot=-2.382421e+05, Fnorm=2.819e+02, Fmax=1.634e+03 (atom 5668)
Step 3103, Epot=-2.382431e+05, Fnorm=2.818e+02, Fmax=1.785e+03 (atom 598)
Step 3104, Epot=-2.382441e+05, Fnorm=2.775e+02, Fmax=1.607e+03 (atom 2836)
Step 3105, Epot=-2.382451e+05, Fnorm=2.788e+02, Fmax=2.097e+03 (atom 4330)
Step 3106, Epot=-2.382461e+05, Fnorm=2.785e+02, Fmax=1.724e+03 (atom 3856)
Step 3107, Epot=-2.382471e+05, Fnorm=2.832e+02, Fmax=1.894e+03 (atom 4264)
Step 3108, Epot=-2.382480e+05, Fnorm=2.778e+02, Fmax=1.509e+03 (atom 5746)
Step 3109, Epot=-2.382489e+05, Fnorm=2.787e+02, Fmax=1.902e+03 (atom 1708)
Step 3110, Epot=-2.382498e+05, Fnorm=2.815e+02, Fmax=1.586e+03 (atom 2848)
Step 3111, Epot=-2.382507e+05, Fnorm=2.802e+02, Fmax=1.676e+03 (atom 2596)
Step 3112, Epot=-2.382517e+05, Fnorm=2.754e+02, Fmax=1.388e+03 (atom 4996)
Step 3113, Epot=-2.382527e+05, Fnorm=2.813e+02, Fmax=1.588e+03 (atom 6082)
Step 3114, Epot=-2.382537e+05, Fnorm=2.877e+02, Fmax=1.969e+03 (atom 1330)
Step 3115, Epot=-2.382546e+05, Fnorm=2.863e+02, Fmax=1.589e+03 (atom 1504)
Step 3116, Epot=-2.382555e+05, Fnorm=2.876e+02, Fmax=2.542e+03 (atom 5482)
Step 3117, Epot=-2.382565e+05, Fnorm=2.859e+02, Fmax=1.698e+03 (atom 466)
Step 3118, Epot=-2.382575e+05, Fnorm=2.845e+02, Fmax=1.710e+03 (atom 5890)
Step 3119, Epot=-2.382586e+05, Fnorm=2.855e+02, Fmax=1.713e+03 (atom 3508)
Step 3120, Epot=-2.382596e+05, Fnorm=2.882e+02, Fmax=1.921e+03 (atom 1708)
Step 3121, Epot=-2.382605e+05, Fnorm=2.865e+02, Fmax=1.665e+03 (atom 2392)
Step 3122, Epot=-2.382615e+05, Fnorm=2.824e+02, Fmax=2.095e+03 (atom 5944)
Step 3123, Epot=-2.382625e+05, Fnorm=2.744e+02, Fmax=1.809e+03 (atom 5812)
Step 3124, Epot=-2.382635e+05, Fnorm=2.820e+02, Fmax=1.503e+03 (atom 670)
Step 3125, Epot=-2.382645e+05, Fnorm=2.812e+02, Fmax=1.508e+03 (atom 5494)
Step 3126, Epot=-2.382655e+05, Fnorm=2.915e+02, Fmax=1.961e+03 (atom 2194)
Step 3127, Epot=-2.382666e+05, Fnorm=2.861e+02, Fmax=1.959e+03 (atom 2194)
Step 3128, Epot=-2.382675e+05, Fnorm=2.818e+02, Fmax=1.775e+03 (atom 1354)
Step 3129, Epot=-2.382685e+05, Fnorm=2.824e+02, Fmax=1.635e+03 (atom 3442)
Step 3130, Epot=-2.382695e+05, Fnorm=2.849e+02, Fmax=2.117e+03 (atom 3376)
Step 3131, Epot=-2.382705e+05, Fnorm=2.934e+02, Fmax=1.814e+03 (atom 5422)
Step 3132, Epot=-2.382949e+05, Fnorm=2.806e+02, Fmax=1.742e+03 (atom 5416)
Step 3133, Epot=-2.382958e+05, Fnorm=2.802e+02, Fmax=1.892e+03 (atom 5680)
Step 3134, Epot=-2.382967e+05, Fnorm=2.815e+02, Fmax=1.780e+03 (atom 2770)
Step 3135, Epot=-2.382976e+05, Fnorm=2.827e+02, Fmax=1.636e+03 (atom 4006)
Step 3136, Epot=-2.382985e+05, Fnorm=2.766e+02, Fmax=1.544e+03 (atom 916)
Step 3137, Epot=-2.382994e+05, Fnorm=2.803e+02, Fmax=1.800e+03 (atom 598)
Step 3138, Epot=-2.383003e+05, Fnorm=2.837e+02, Fmax=1.560e+03 (atom 598)
Step 3139, Epot=-2.383012e+05, Fnorm=2.867e+02, Fmax=1.554e+03 (atom 1642)
Step 3140, Epot=-2.383021e+05, Fnorm=2.884e+02, Fmax=2.100e+03 (atom 4330)
Step 3141, Epot=-2.383031e+05, Fnorm=2.797e+02, Fmax=1.876e+03 (atom 4912)
Step 3142, Epot=-2.383040e+05, Fnorm=2.781e+02, Fmax=1.743e+03 (atom 826)
Step 3143, Epot=-2.383050e+05, Fnorm=2.822e+02, Fmax=1.691e+03 (atom 1336)
Step 3144, Epot=-2.383059e+05, Fnorm=2.848e+02, Fmax=2.112e+03 (atom 5302)
Step 3145, Epot=-2.383069e+05, Fnorm=2.829e+02, Fmax=1.611e+03 (atom 658)
Step 3146, Epot=-2.383079e+05, Fnorm=2.808e+02, Fmax=2.026e+03 (atom 4564)
Step 3147, Epot=-2.383089e+05, Fnorm=2.840e+02, Fmax=2.307e+03 (atom 2968)
Step 3148, Epot=-2.383099e+05, Fnorm=2.845e+02, Fmax=1.807e+03 (atom 1354)
Step 3149, Epot=-2.383108e+05, Fnorm=2.856e+02, Fmax=1.601e+03 (atom 4030)
Step 3150, Epot=-2.383117e+05, Fnorm=2.804e+02, Fmax=2.062e+03 (atom 4498)
Step 3151, Epot=-2.383126e+05, Fnorm=2.851e+02, Fmax=1.851e+03 (atom 3898)
Step 3152, Epot=-2.383135e+05, Fnorm=2.838e+02, Fmax=1.647e+03 (atom 4996)
Step 3153, Epot=-2.383143e+05, Fnorm=2.804e+02, Fmax=1.550e+03 (atom 916)
Step 3154, Epot=-2.383151e+05, Fnorm=2.854e+02, Fmax=1.984e+03 (atom 3574)
Step 3155, Epot=-2.383159e+05, Fnorm=2.773e+02, Fmax=1.684e+03 (atom 2596)
Step 3156, Epot=-2.383168e+05, Fnorm=2.807e+02, Fmax=2.003e+03 (atom 2770)
Step 3157, Epot=-2.383177e+05, Fnorm=2.902e+02, Fmax=1.586e+03 (atom 3910)
Step 3158, Epot=-2.383187e+05, Fnorm=2.839e+02, Fmax=1.718e+03 (atom 1516)
Step 3159, Epot=-2.383196e+05, Fnorm=2.848e+02, Fmax=1.387e+03 (atom 1906)
Step 3160, Epot=-2.383207e+05, Fnorm=2.840e+02, Fmax=1.890e+03 (atom 1972)
Step 3161, Epot=-2.383217e+05, Fnorm=2.833e+02, Fmax=1.890e+03 (atom 1972)
Step 3162, Epot=-2.383227e+05, Fnorm=2.807e+02, Fmax=1.942e+03 (atom 2194)
Step 3163, Epot=-2.383237e+05, Fnorm=2.863e+02, Fmax=1.682e+03 (atom 2596)
Step 3164, Epot=-2.383247e+05, Fnorm=2.802e+02, Fmax=1.594e+03 (atom 2848)
Step 3165, Epot=-2.383257e+05, Fnorm=2.802e+02, Fmax=1.412e+03 (atom 6160)
Step 3166, Epot=-2.383268e+05, Fnorm=2.794e+02, Fmax=1.581e+03 (atom 3910)
Step 3167, Epot=-2.383278e+05, Fnorm=2.811e+02, Fmax=1.580e+03 (atom 3910)
Step 3168, Epot=-2.383287e+05, Fnorm=2.778e+02, Fmax=1.702e+03 (atom 4402)
Step 3169, Epot=-2.383296e+05, Fnorm=2.765e+02, Fmax=1.485e+03 (atom 334)
Step 3170, Epot=-2.383306e+05, Fnorm=2.820e+02, Fmax=1.616e+03 (atom 4030)
Step 3171, Epot=-2.383316e+05, Fnorm=2.786e+02, Fmax=2.059e+03 (atom 4030)
Step 3172, Epot=-2.383325e+05, Fnorm=2.847e+02, Fmax=1.488e+03 (atom 5680)
Step 3173, Epot=-2.383335e+05, Fnorm=2.812e+02, Fmax=1.519e+03 (atom 586)
Step 3174, Epot=-2.383344e+05, Fnorm=2.830e+02, Fmax=1.691e+03 (atom 5296)
Step 3175, Epot=-2.383354e+05, Fnorm=2.794e+02, Fmax=2.551e+03 (atom 1510)
Step 3176, Epot=-2.383363e+05, Fnorm=2.850e+02, Fmax=1.845e+03 (atom 1510)
Step 3177, Epot=-2.383372e+05, Fnorm=2.832e+02, Fmax=1.637e+03 (atom 3898)
Step 3178, Epot=-2.383380e+05, Fnorm=2.788e+02, Fmax=1.609e+03 (atom 6082)
Step 3179, Epot=-2.383390e+05, Fnorm=2.791e+02, Fmax=1.715e+03 (atom 586)
Step 3180, Epot=-2.383397e+05, Fnorm=2.783e+02, Fmax=1.950e+03 (atom 2194)
Step 3181, Epot=-2.383404e+05, Fnorm=2.769e+02, Fmax=2.137e+03 (atom 2326)
Step 3182, Epot=-2.383412e+05, Fnorm=2.696e+02, Fmax=1.520e+03 (atom 4996)
Step 3183, Epot=-2.383419e+05, Fnorm=2.755e+02, Fmax=1.651e+03 (atom 6172)
Step 3184, Epot=-2.383427e+05, Fnorm=2.748e+02, Fmax=1.650e+03 (atom 6172)
Step 3185, Epot=-2.383434e+05, Fnorm=2.829e+02, Fmax=1.657e+03 (atom 466)
Step 3186, Epot=-2.383442e+05, Fnorm=2.823e+02, Fmax=1.762e+03 (atom 5416)
Step 3187, Epot=-2.383450e+05, Fnorm=2.857e+02, Fmax=1.610e+03 (atom 4498)
Step 3188, Epot=-2.383457e+05, Fnorm=2.813e+02, Fmax=1.458e+03 (atom 4762)
Step 3189, Epot=-2.383464e+05, Fnorm=2.712e+02, Fmax=1.487e+03 (atom 2230)
Step 3190, Epot=-2.383471e+05, Fnorm=2.796e+02, Fmax=1.747e+03 (atom 2836)
Step 3191, Epot=-2.383478e+05, Fnorm=2.819e+02, Fmax=1.763e+03 (atom 5416)
Step 3192, Epot=-2.383484e+05, Fnorm=2.873e+02, Fmax=1.671e+03 (atom 3856)
Step 3193, Epot=-2.383491e+05, Fnorm=2.793e+02, Fmax=1.409e+03 (atom 2854)
Step 3194, Epot=-2.383498e+05, Fnorm=2.696e+02, Fmax=1.492e+03 (atom 334)
Step 3195, Epot=-2.383503e+05, Fnorm=2.788e+02, Fmax=1.615e+03 (atom 3910)
Step 3196, Epot=-2.383508e+05, Fnorm=2.815e+02, Fmax=1.599e+03 (atom 4030)
Step 3197, Epot=-2.383515e+05, Fnorm=2.804e+02, Fmax=2.052e+03 (atom 3508)
Step 3198, Epot=-2.383522e+05, Fnorm=2.839e+02, Fmax=1.615e+03 (atom 916)
Step 3199, Epot=-2.383528e+05, Fnorm=2.798e+02, Fmax=1.758e+03 (atom 5686)
Step 3200, Epot=-2.383535e+05, Fnorm=2.827e+02, Fmax=1.742e+03 (atom 5878)
Step 3201, Epot=-2.383540e+05, Fnorm=2.808e+02, Fmax=1.521e+03 (atom 670)
Step 3202, Epot=-2.383546e+05, Fnorm=2.785e+02, Fmax=1.537e+03 (atom 3892)
Step 3203, Epot=-2.383552e+05, Fnorm=2.740e+02, Fmax=1.424e+03 (atom 3202)
Step 3204, Epot=-2.383559e+05, Fnorm=2.766e+02, Fmax=1.600e+03 (atom 4030)
Step 3205, Epot=-2.383564e+05, Fnorm=2.791e+02, Fmax=1.581e+03 (atom 2848)
Step 3206, Epot=-2.383570e+05, Fnorm=2.799e+02, Fmax=1.667e+03 (atom 4996)
Step 3207, Epot=-2.383576e+05, Fnorm=2.845e+02, Fmax=1.815e+03 (atom 1768)
Step 3208, Epot=-2.383581e+05, Fnorm=2.750e+02, Fmax=1.414e+03 (atom 5476)
Step 3209, Epot=-2.383588e+05, Fnorm=2.716e+02, Fmax=2.034e+03 (atom 2836)
Step 3210, Epot=-2.383592e+05, Fnorm=2.827e+02, Fmax=1.634e+03 (atom 5440)
Step 3211, Epot=-2.383598e+05, Fnorm=2.802e+02, Fmax=1.516e+03 (atom 1774)
Step 3212, Epot=-2.383604e+05, Fnorm=2.710e+02, Fmax=1.625e+03 (atom 4498)
Step 3213, Epot=-2.383610e+05, Fnorm=2.875e+02, Fmax=1.635e+03 (atom 2392)
Step 3214, Epot=-2.383615e+05, Fnorm=2.815e+02, Fmax=1.556e+03 (atom 916)
Step 3215, Epot=-2.383621e+05, Fnorm=2.805e+02, Fmax=1.617e+03 (atom 2038)
Step 3216, Epot=-2.383625e+05, Fnorm=2.735e+02, Fmax=2.045e+03 (atom 2836)
Step 3217, Epot=-2.383631e+05, Fnorm=2.769e+02, Fmax=2.136e+03 (atom 3898)
Step 3218, Epot=-2.383636e+05, Fnorm=2.777e+02, Fmax=1.605e+03 (atom 1516)
Step 3219, Epot=-2.383641e+05, Fnorm=2.847e+02, Fmax=1.802e+03 (atom 3676)
Step 3220, Epot=-2.383647e+05, Fnorm=2.829e+02, Fmax=1.472e+03 (atom 1618)
Step 3221, Epot=-2.383651e+05, Fnorm=2.875e+02, Fmax=1.956e+03 (atom 3442)
Step 3222, Epot=-2.383658e+05, Fnorm=2.874e+02, Fmax=2.112e+03 (atom 3376)
Step 3223, Epot=-2.383663e+05, Fnorm=2.833e+02, Fmax=2.112e+03 (atom 3376)
Step 3224, Epot=-2.383668e+05, Fnorm=2.838e+02, Fmax=1.690e+03 (atom 5482)
Step 3225, Epot=-2.383673e+05, Fnorm=2.777e+02, Fmax=1.816e+03 (atom 3520)
Step 3226, Epot=-2.383678e+05, Fnorm=2.807e+02, Fmax=1.535e+03 (atom 1642)
Step 3227, Epot=-2.383684e+05, Fnorm=2.808e+02, Fmax=1.541e+03 (atom 3970)
Step 3228, Epot=-2.383688e+05, Fnorm=2.789e+02, Fmax=1.977e+03 (atom 826)
Step 3229, Epot=-2.383693e+05, Fnorm=2.802e+02, Fmax=1.561e+03 (atom 916)
Step 3230, Epot=-2.383698e+05, Fnorm=2.832e+02, Fmax=1.605e+03 (atom 6124)
Step 3231, Epot=-2.383703e+05, Fnorm=2.793e+02, Fmax=1.443e+03 (atom 3382)
Step 3232, Epot=-2.383709e+05, Fnorm=2.773e+02, Fmax=2.140e+03 (atom 3898)
Step 3233, Epot=-2.383714e+05, Fnorm=2.757e+02, Fmax=1.592e+03 (atom 3934)
Step 3234, Epot=-2.383719e+05, Fnorm=2.811e+02, Fmax=1.548e+03 (atom 4630)
Step 3235, Epot=-2.383724e+05, Fnorm=2.824e+02, Fmax=1.714e+03 (atom 994)
Step 3236, Epot=-2.383730e+05, Fnorm=2.793e+02, Fmax=1.629e+03 (atom 1516)
Step 3237, Epot=-2.383735e+05, Fnorm=2.753e+02, Fmax=1.789e+03 (atom 4264)
Step 3238, Epot=-2.383740e+05, Fnorm=2.792e+02, Fmax=2.047e+03 (atom 3508)
Step 3239, Epot=-2.383744e+05, Fnorm=2.726e+02, Fmax=2.042e+03 (atom 862)
Step 3240, Epot=-2.383750e+05, Fnorm=2.734e+02, Fmax=1.626e+03 (atom 1516)
Step 3241, Epot=-2.383754e+05, Fnorm=2.830e+02, Fmax=1.563e+03 (atom 3964)
Step 3242, Epot=-2.383760e+05, Fnorm=2.853e+02, Fmax=1.562e+03 (atom 3964)
Step 3243, Epot=-2.383764e+05, Fnorm=2.795e+02, Fmax=1.986e+03 (atom 4564)
Step 3244, Epot=-2.383770e+05, Fnorm=2.705e+02, Fmax=1.960e+03 (atom 2770)
Step 3245, Epot=-2.383774e+05, Fnorm=2.736e+02, Fmax=1.402e+03 (atom 598)
Step 3246, Epot=-2.383778e+05, Fnorm=2.771e+02, Fmax=1.709e+03 (atom 466)
Step 3247, Epot=-2.383783e+05, Fnorm=2.785e+02, Fmax=1.979e+03 (atom 1708)
Step 3248, Epot=-2.383788e+05, Fnorm=2.839e+02, Fmax=1.834e+03 (atom 1354)
Step 3249, Epot=-2.383792e+05, Fnorm=2.902e+02, Fmax=1.656e+03 (atom 2596)
Step 3250, Epot=-2.383797e+05, Fnorm=2.791e+02, Fmax=1.874e+03 (atom 562)
Step 3251, Epot=-2.383802e+05, Fnorm=2.841e+02, Fmax=1.645e+03 (atom 3898)
Step 3252, Epot=-2.383807e+05, Fnorm=2.837e+02, Fmax=1.643e+03 (atom 2392)
Step 3253, Epot=-2.383813e+05, Fnorm=2.776e+02, Fmax=1.676e+03 (atom 466)
Step 3254, Epot=-2.383818e+05, Fnorm=2.903e+02, Fmax=1.496e+03 (atom 1618)
Step 3255, Epot=-2.383822e+05, Fnorm=2.844e+02, Fmax=1.497e+03 (atom 1618)
Step 3256, Epot=-2.383827e+05, Fnorm=2.740e+02, Fmax=1.689e+03 (atom 5482)
Step 3257, Epot=-2.383832e+05, Fnorm=2.746e+02, Fmax=1.512e+03 (atom 1774)
Step 3258, Epot=-2.383837e+05, Fnorm=2.837e+02, Fmax=1.512e+03 (atom 1774)
Step 3259, Epot=-2.383842e+05, Fnorm=2.886e+02, Fmax=1.881e+03 (atom 5692)
Step 3260, Epot=-2.383847e+05, Fnorm=2.826e+02, Fmax=1.699e+03 (atom 6076)
Step 3261, Epot=-2.383853e+05, Fnorm=2.751e+02, Fmax=1.616e+03 (atom 5296)
Step 3262, Epot=-2.383859e+05, Fnorm=2.812e+02, Fmax=1.813e+03 (atom 1336)
Step 3263, Epot=-2.383863e+05, Fnorm=2.954e+02, Fmax=1.838e+03 (atom 1510)
Step 3264, Epot=-2.383868e+05, Fnorm=2.921e+02, Fmax=1.720e+03 (atom 3520)
Step 3265, Epot=-2.383873e+05, Fnorm=2.798e+02, Fmax=1.667e+03 (atom 4498)
Step 3266, Epot=-2.383878e+05, Fnorm=2.797e+02, Fmax=1.948e+03 (atom 3574)
Step 3267, Epot=-2.383883e+05, Fnorm=2.730e+02, Fmax=1.664e+03 (atom 2596)
Step 3268, Epot=-2.383888e+05, Fnorm=2.791e+02, Fmax=1.531e+03 (atom 4030)
Step 3269, Epot=-2.383893e+05, Fnorm=2.825e+02, Fmax=2.085e+03 (atom 4330)
Step 3270, Epot=-2.383897e+05, Fnorm=2.861e+02, Fmax=1.832e+03 (atom 2836)
Step 3271, Epot=-2.383902e+05, Fnorm=2.789e+02, Fmax=1.772e+03 (atom 5812)
Step 3272, Epot=-2.383908e+05, Fnorm=2.753e+02, Fmax=1.582e+03 (atom 1516)
Step 3273, Epot=-2.383912e+05, Fnorm=2.836e+02, Fmax=1.616e+03 (atom 658)
Step 3274, Epot=-2.383916e+05, Fnorm=2.839e+02, Fmax=1.623e+03 (atom 4996)
Step 3275, Epot=-2.383922e+05, Fnorm=2.833e+02, Fmax=1.777e+03 (atom 2770)
Step 3276, Epot=-2.383928e+05, Fnorm=2.872e+02, Fmax=1.848e+03 (atom 1510)
Step 3277, Epot=-2.383933e+05, Fnorm=2.847e+02, Fmax=1.519e+03 (atom 1846)
Step 3278, Epot=-2.383938e+05, Fnorm=2.783e+02, Fmax=1.680e+03 (atom 4498)
Step 3279, Epot=-2.383943e+05, Fnorm=2.808e+02, Fmax=1.830e+03 (atom 4264)
Step 3280, Epot=-2.383948e+05, Fnorm=2.822e+02, Fmax=1.780e+03 (atom 3310)
Step 3281, Epot=-2.383954e+05, Fnorm=2.743e+02, Fmax=1.780e+03 (atom 3310)
Step 3282, Epot=-2.383959e+05, Fnorm=2.840e+02, Fmax=1.684e+03 (atom 4498)
Step 3283, Epot=-2.383965e+05, Fnorm=2.793e+02, Fmax=1.554e+03 (atom 2710)
Step 3284, Epot=-2.383970e+05, Fnorm=2.772e+02, Fmax=1.626e+03 (atom 658)
Step 3285, Epot=-2.383975e+05, Fnorm=2.746e+02, Fmax=2.090e+03 (atom 3376)
Step 3286, Epot=-2.383981e+05, Fnorm=2.746e+02, Fmax=1.559e+03 (atom 3838)
Step 3287, Epot=-2.383987e+05, Fnorm=2.808e+02, Fmax=1.739e+03 (atom 370)
Step 3288, Epot=-2.383993e+05, Fnorm=2.869e+02, Fmax=1.614e+03 (atom 1066)
Step 3289, Epot=-2.383998e+05, Fnorm=2.931e+02, Fmax=1.753e+03 (atom 1192)
Step 3290, Epot=-2.384005e+05, Fnorm=2.824e+02, Fmax=1.752e+03 (atom 1192)
Step 3291, Epot=-2.384010e+05, Fnorm=2.766e+02, Fmax=2.117e+03 (atom 4498)
Step 3292, Epot=-2.384016e+05, Fnorm=2.785e+02, Fmax=1.539e+03 (atom 5284)
Step 3293, Epot=-2.384022e+05, Fnorm=2.894e+02, Fmax=1.971e+03 (atom 2194)
Step 3294, Epot=-2.384028e+05, Fnorm=2.836e+02, Fmax=1.946e+03 (atom 1708)
Step 3295, Epot=-2.384034e+05, Fnorm=2.816e+02, Fmax=1.521e+03 (atom 5284)
Step 3296, Epot=-2.384040e+05, Fnorm=2.838e+02, Fmax=1.677e+03 (atom 2038)
Step 3297, Epot=-2.384047e+05, Fnorm=2.868e+02, Fmax=1.392e+03 (atom 370)
Step 3298, Epot=-2.384052e+05, Fnorm=2.833e+02, Fmax=1.611e+03 (atom 6010)
Step 3299, Epot=-2.384058e+05, Fnorm=2.867e+02, Fmax=1.634e+03 (atom 5056)
Step 3300, Epot=-2.384064e+05, Fnorm=2.798e+02, Fmax=1.750e+03 (atom 3808)
Step 3301, Epot=-2.384070e+05, Fnorm=2.789e+02, Fmax=1.749e+03 (atom 3808)
Step 3302, Epot=-2.384076e+05, Fnorm=2.768e+02, Fmax=1.592e+03 (atom 6082)
Step 3303, Epot=-2.384082e+05, Fnorm=2.823e+02, Fmax=1.633e+03 (atom 6112)
Step 3304, Epot=-2.384088e+05, Fnorm=2.919e+02, Fmax=1.788e+03 (atom 5338)
Step 3305, Epot=-2.384094e+05, Fnorm=2.832e+02, Fmax=1.968e+03 (atom 2194)
Step 3306, Epot=-2.384100e+05, Fnorm=2.852e+02, Fmax=1.607e+03 (atom 1066)
Step 3307, Epot=-2.384106e+05, Fnorm=2.872e+02, Fmax=1.613e+03 (atom 4996)
Step 3308, Epot=-2.384113e+05, Fnorm=2.762e+02, Fmax=1.518e+03 (atom 994)
Step 3309, Epot=-2.384119e+05, Fnorm=2.859e+02, Fmax=1.640e+03 (atom 436)
Step 3310, Epot=-2.384125e+05, Fnorm=2.827e+02, Fmax=1.973e+03 (atom 5434)
Step 3311, Epot=-2.384132e+05, Fnorm=2.777e+02, Fmax=1.440e+03 (atom 2620)
Step 3312, Epot=-2.384139e+05, Fnorm=2.781e+02, Fmax=1.575e+03 (atom 6082)
Step 3313, Epot=-2.384144e+05, Fnorm=2.781e+02, Fmax=1.503e+03 (atom 3958)
Step 3314, Epot=-2.384151e+05, Fnorm=2.826e+02, Fmax=1.588e+03 (atom 1330)
Step 3315, Epot=-2.384158e+05, Fnorm=2.794e+02, Fmax=1.595e+03 (atom 5428)
Step 3316, Epot=-2.384163e+05, Fnorm=2.835e+02, Fmax=1.692e+03 (atom 1768)
Step 3317, Epot=-2.384170e+05, Fnorm=2.788e+02, Fmax=1.610e+03 (atom 3454)
Step 3318, Epot=-2.384177e+05, Fnorm=2.864e+02, Fmax=1.887e+03 (atom 5680)
Step 3319, Epot=-2.384182e+05, Fnorm=2.804e+02, Fmax=1.637e+03 (atom 6112)
Step 3320, Epot=-2.384189e+05, Fnorm=2.751e+02, Fmax=1.794e+03 (atom 2836)
Step 3321, Epot=-2.384195e+05, Fnorm=2.791e+02, Fmax=1.533e+03 (atom 5434)
Step 3322, Epot=-2.384200e+05, Fnorm=2.835e+02, Fmax=1.911e+03 (atom 1708)
Step 3323, Epot=-2.384206e+05, Fnorm=2.791e+02, Fmax=1.889e+03 (atom 3970)
Step 3324, Epot=-2.384211e+05, Fnorm=2.791e+02, Fmax=1.882e+03 (atom 4264)
Step 3325, Epot=-2.384217e+05, Fnorm=2.794e+02, Fmax=1.676e+03 (atom 466)
Step 3326, Epot=-2.384222e+05, Fnorm=2.809e+02, Fmax=1.700e+03 (atom 3508)
Step 3327, Epot=-2.384227e+05, Fnorm=2.784e+02, Fmax=1.966e+03 (atom 2194)
Step 3328, Epot=-2.384232e+05, Fnorm=2.820e+02, Fmax=1.782e+03 (atom 826)
Step 3329, Epot=-2.384237e+05, Fnorm=2.782e+02, Fmax=1.490e+03 (atom 5686)
Step 3330, Epot=-2.384242e+05, Fnorm=2.742e+02, Fmax=1.625e+03 (atom 3964)
Step 3331, Epot=-2.384247e+05, Fnorm=2.846e+02, Fmax=1.615e+03 (atom 3676)
Step 3332, Epot=-2.384252e+05, Fnorm=2.853e+02, Fmax=1.764e+03 (atom 3676)
Step 3333, Epot=-2.384258e+05, Fnorm=2.855e+02, Fmax=1.915e+03 (atom 4402)
Step 3334, Epot=-2.384264e+05, Fnorm=2.824e+02, Fmax=1.536e+03 (atom 334)
Step 3335, Epot=-2.384270e+05, Fnorm=2.780e+02, Fmax=1.769e+03 (atom 3310)
Step 3336, Epot=-2.384275e+05, Fnorm=2.884e+02, Fmax=1.993e+03 (atom 2770)
Step 3337, Epot=-2.384281e+05, Fnorm=2.779e+02, Fmax=1.908e+03 (atom 5680)
Step 3338, Epot=-2.384287e+05, Fnorm=2.758e+02, Fmax=1.641e+03 (atom 436)
Step 3339, Epot=-2.384292e+05, Fnorm=2.743e+02, Fmax=1.507e+03 (atom 5938)
Step 3340, Epot=-2.384296e+05, Fnorm=2.774e+02, Fmax=1.741e+03 (atom 4156)
Step 3341, Epot=-2.384301e+05, Fnorm=2.695e+02, Fmax=1.577e+03 (atom 3970)
Step 3342, Epot=-2.384305e+05, Fnorm=2.786e+02, Fmax=1.993e+03 (atom 2770)
Step 3343, Epot=-2.384309e+05, Fnorm=2.804e+02, Fmax=1.561e+03 (atom 916)
Step 3344, Epot=-2.384314e+05, Fnorm=2.814e+02, Fmax=1.700e+03 (atom 4498)
Step 3345, Epot=-2.384318e+05, Fnorm=2.845e+02, Fmax=1.693e+03 (atom 5692)
Step 3346, Epot=-2.384323e+05, Fnorm=2.829e+02, Fmax=1.735e+03 (atom 5428)
Step 3347, Epot=-2.384327e+05, Fnorm=2.795e+02, Fmax=1.928e+03 (atom 3574)
Step 3348, Epot=-2.384331e+05, Fnorm=2.800e+02, Fmax=1.862e+03 (atom 3898)
Step 3349, Epot=-2.384336e+05, Fnorm=2.767e+02, Fmax=1.582e+03 (atom 1774)
Step 3350, Epot=-2.384340e+05, Fnorm=2.838e+02, Fmax=1.521e+03 (atom 2770)
Step 3351, Epot=-2.384344e+05, Fnorm=2.848e+02, Fmax=1.993e+03 (atom 826)
Step 3352, Epot=-2.384348e+05, Fnorm=2.800e+02, Fmax=1.638e+03 (atom 3856)
Step 3353, Epot=-2.384352e+05, Fnorm=2.753e+02, Fmax=1.405e+03 (atom 4324)
Step 3354, Epot=-2.384356e+05, Fnorm=2.776e+02, Fmax=2.089e+03 (atom 4330)
Step 3355, Epot=-2.384360e+05, Fnorm=2.827e+02, Fmax=2.120e+03 (atom 5944)
Step 3356, Epot=-2.384364e+05, Fnorm=2.842e+02, Fmax=2.009e+03 (atom 4030)
Step 3357, Epot=-2.384368e+05, Fnorm=2.846e+02, Fmax=2.206e+03 (atom 4696)
Step 3358, Epot=-2.384372e+05, Fnorm=2.867e+02, Fmax=1.528e+03 (atom 334)
Step 3359, Epot=-2.384376e+05, Fnorm=2.733e+02, Fmax=1.518e+03 (atom 670)
Step 3360, Epot=-2.384380e+05, Fnorm=2.781e+02, Fmax=1.912e+03 (atom 1708)
Step 3361, Epot=-2.384383e+05, Fnorm=2.732e+02, Fmax=1.601e+03 (atom 5494)
Step 3362, Epot=-2.384387e+05, Fnorm=2.764e+02, Fmax=2.021e+03 (atom 2836)
Step 3363, Epot=-2.384390e+05, Fnorm=2.827e+02, Fmax=2.021e+03 (atom 2836)
Step 3364, Epot=-2.384394e+05, Fnorm=2.769e+02, Fmax=1.475e+03 (atom 3442)
Step 3365, Epot=-2.384397e+05, Fnorm=2.809e+02, Fmax=1.777e+03 (atom 826)
Step 3366, Epot=-2.384400e+05, Fnorm=2.824e+02, Fmax=1.775e+03 (atom 3310)
Step 3367, Epot=-2.384403e+05, Fnorm=2.843e+02, Fmax=1.577e+03 (atom 1774)
Step 3368, Epot=-2.384408e+05, Fnorm=2.767e+02, Fmax=1.669e+03 (atom 2392)
Step 3369, Epot=-2.384411e+05, Fnorm=2.793e+02, Fmax=2.093e+03 (atom 4330)
Step 3370, Epot=-2.384413e+05, Fnorm=2.729e+02, Fmax=1.672e+03 (atom 1330)
Step 3371, Epot=-2.384416e+05, Fnorm=2.762e+02, Fmax=1.970e+03 (atom 862)
Step 3372, Epot=-2.384419e+05, Fnorm=2.818e+02, Fmax=1.673e+03 (atom 1330)
Step 3373, Epot=-2.384422e+05, Fnorm=2.806e+02, Fmax=1.554e+03 (atom 3958)
Step 3374, Epot=-2.384425e+05, Fnorm=2.768e+02, Fmax=1.448e+03 (atom 1516)
Step 3375, Epot=-2.384428e+05, Fnorm=2.819e+02, Fmax=1.774e+03 (atom 598)
Step 3376, Epot=-2.384430e+05, Fnorm=2.795e+02, Fmax=1.441e+03 (atom 3310)
Step 3377, Epot=-2.384433e+05, Fnorm=2.824e+02, Fmax=1.699e+03 (atom 5890)
Step 3378, Epot=-2.384436e+05, Fnorm=2.761e+02, Fmax=1.646e+03 (atom 6172)
Step 3379, Epot=-2.384438e+05, Fnorm=2.864e+02, Fmax=2.042e+03 (atom 1330)
Step 3380, Epot=-2.384441e+05, Fnorm=2.837e+02, Fmax=1.539e+03 (atom 730)
Step 3381, Epot=-2.384445e+05, Fnorm=2.810e+02, Fmax=1.848e+03 (atom 1510)
Step 3382, Epot=-2.384447e+05, Fnorm=2.733e+02, Fmax=1.403e+03 (atom 1414)
Step 3383, Epot=-2.384450e+05, Fnorm=2.799e+02, Fmax=1.693e+03 (atom 4498)
Step 3384, Epot=-2.384452e+05, Fnorm=2.787e+02, Fmax=1.692e+03 (atom 4498)
Step 3385, Epot=-2.384455e+05, Fnorm=2.882e+02, Fmax=2.087e+03 (atom 3376)
Step 3386, Epot=-2.384458e+05, Fnorm=2.736e+02, Fmax=1.505e+03 (atom 2710)
Step 3387, Epot=-2.384461e+05, Fnorm=2.702e+02, Fmax=1.630e+03 (atom 4006)
Step 3388, Epot=-2.384464e+05, Fnorm=2.735e+02, Fmax=1.656e+03 (atom 466)
Step 3389, Epot=-2.384466e+05, Fnorm=2.758e+02, Fmax=1.530e+03 (atom 4630)
Step 3390, Epot=-2.384468e+05, Fnorm=2.796e+02, Fmax=1.984e+03 (atom 334)
Step 3391, Epot=-2.384471e+05, Fnorm=2.851e+02, Fmax=2.124e+03 (atom 4498)
Step 3392, Epot=-2.384473e+05, Fnorm=2.815e+02, Fmax=2.123e+03 (atom 4498)
Step 3393, Epot=-2.384476e+05, Fnorm=2.776e+02, Fmax=1.604e+03 (atom 916)
Step 3394, Epot=-2.384478e+05, Fnorm=2.722e+02, Fmax=2.098e+03 (atom 4330)
Step 3395, Epot=-2.384481e+05, Fnorm=2.790e+02, Fmax=1.576e+03 (atom 3934)
Step 3396, Epot=-2.384483e+05, Fnorm=2.849e+02, Fmax=1.845e+03 (atom 1510)
Step 3397, Epot=-2.384487e+05, Fnorm=2.792e+02, Fmax=1.451e+03 (atom 454)
Step 3398, Epot=-2.384490e+05, Fnorm=2.769e+02, Fmax=1.689e+03 (atom 2392)
Step 3399, Epot=-2.384491e+05, Fnorm=2.790e+02, Fmax=1.516e+03 (atom 6124)
Step 3400, Epot=-2.384493e+05, Fnorm=2.720e+02, Fmax=1.546e+03 (atom 3508)
Step 3401, Epot=-2.384496e+05, Fnorm=2.736e+02, Fmax=1.610e+03 (atom 2038)
Step 3402, Epot=-2.384498e+05, Fnorm=2.820e+02, Fmax=1.943e+03 (atom 1708)
Step 3403, Epot=-2.384500e+05, Fnorm=2.760e+02, Fmax=2.047e+03 (atom 4030)
Step 3404, Epot=-2.384502e+05, Fnorm=2.759e+02, Fmax=1.691e+03 (atom 4498)
Step 3405, Epot=-2.384505e+05, Fnorm=2.776e+02, Fmax=1.534e+03 (atom 664)
Step 3406, Epot=-2.384507e+05, Fnorm=2.790e+02, Fmax=1.690e+03 (atom 5056)
Step 3407, Epot=-2.384509e+05, Fnorm=2.846e+02, Fmax=1.641e+03 (atom 6172)
Step 3408, Epot=-2.384510e+05, Fnorm=2.875e+02, Fmax=1.649e+03 (atom 4156)
Step 3409, Epot=-2.384513e+05, Fnorm=2.820e+02, Fmax=1.465e+03 (atom 5170)
Step 3410, Epot=-2.384515e+05, Fnorm=2.843e+02, Fmax=2.050e+03 (atom 4030)
Step 3411, Epot=-2.384517e+05, Fnorm=2.752e+02, Fmax=1.627e+03 (atom 4030)
Step 3412, Epot=-2.384519e+05, Fnorm=2.743e+02, Fmax=1.920e+03 (atom 3574)
Step 3413, Epot=-2.384522e+05, Fnorm=2.760e+02, Fmax=1.921e+03 (atom 3574)
Step 3414, Epot=-2.384523e+05, Fnorm=2.746e+02, Fmax=1.413e+03 (atom 5416)
Step 3415, Epot=-2.384526e+05, Fnorm=2.788e+02, Fmax=1.654e+03 (atom 466)
Step 3416, Epot=-2.384528e+05, Fnorm=2.792e+02, Fmax=1.409e+03 (atom 1906)
Step 3417, Epot=-2.384531e+05, Fnorm=2.836e+02, Fmax=1.619e+03 (atom 2038)
Step 3418, Epot=-2.384533e+05, Fnorm=2.824e+02, Fmax=1.521e+03 (atom 670)
Step 3419, Epot=-2.384535e+05, Fnorm=2.821e+02, Fmax=2.049e+03 (atom 4030)
Step 3420, Epot=-2.384537e+05, Fnorm=2.747e+02, Fmax=1.705e+03 (atom 4156)
Step 3421, Epot=-2.384540e+05, Fnorm=2.800e+02, Fmax=2.253e+03 (atom 2968)
Step 3422, Epot=-2.384541e+05, Fnorm=2.869e+02, Fmax=1.765e+03 (atom 5422)
Step 3423, Epot=-2.384544e+05, Fnorm=2.943e+02, Fmax=1.695e+03 (atom 6076)
Step 3424, Epot=-2.384547e+05, Fnorm=2.830e+02, Fmax=1.710e+03 (atom 3508)
Step 3425, Epot=-2.384549e+05, Fnorm=2.755e+02, Fmax=2.047e+03 (atom 4030)
Step 3426, Epot=-2.384552e+05, Fnorm=2.818e+02, Fmax=1.733e+03 (atom 826)
Step 3427, Epot=-2.384554e+05, Fnorm=2.728e+02, Fmax=1.691e+03 (atom 4498)
Step 3428, Epot=-2.384557e+05, Fnorm=2.771e+02, Fmax=1.785e+03 (atom 4762)
Step 3429, Epot=-2.384560e+05, Fnorm=2.783e+02, Fmax=1.622e+03 (atom 2392)
Step 3430, Epot=-2.384562e+05, Fnorm=2.749e+02, Fmax=1.443e+03 (atom 2968)
Step 3431, Epot=-2.384564e+05, Fnorm=2.701e+02, Fmax=1.667e+03 (atom 562)
Step 3432, Epot=-2.384567e+05, Fnorm=2.694e+02, Fmax=1.968e+03 (atom 1708)
Step 3433, Epot=-2.384569e+05, Fnorm=2.690e+02, Fmax=1.504e+03 (atom 3910)
Step 3434, Epot=-2.384572e+05, Fnorm=2.803e+02, Fmax=1.384e+03 (atom 4264)
Step 3435, Epot=-2.384574e+05, Fnorm=2.835e+02, Fmax=1.719e+03 (atom 4264)
Step 3436, Epot=-2.384576e+05, Fnorm=2.812e+02, Fmax=1.753e+03 (atom 994)
Step 3437, Epot=-2.384578e+05, Fnorm=2.746e+02, Fmax=1.695e+03 (atom 4156)
Step 3438, Epot=-2.384581e+05, Fnorm=2.753e+02, Fmax=1.492e+03 (atom 1774)
Step 3439, Epot=-2.384583e+05, Fnorm=2.798e+02, Fmax=1.569e+03 (atom 1774)
Step 3440, Epot=-2.384585e+05, Fnorm=2.817e+02, Fmax=1.636e+03 (atom 2038)
Step 3441, Epot=-2.384587e+05, Fnorm=2.843e+02, Fmax=1.568e+03 (atom 1774)
Step 3442, Epot=-2.384590e+05, Fnorm=2.790e+02, Fmax=1.588e+03 (atom 3964)
Step 3443, Epot=-2.384592e+05, Fnorm=2.803e+02, Fmax=1.389e+03 (atom 3202)
Step 3444, Epot=-2.384594e+05, Fnorm=2.798e+02, Fmax=1.696e+03 (atom 5806)
Step 3445, Epot=-2.384597e+05, Fnorm=2.821e+02, Fmax=1.953e+03 (atom 826)
Step 3446, Epot=-2.384599e+05, Fnorm=2.740e+02, Fmax=1.695e+03 (atom 5806)
Step 3447, Epot=-2.384601e+05, Fnorm=2.774e+02, Fmax=1.659e+03 (atom 2596)
Step 3448, Epot=-2.384603e+05, Fnorm=2.776e+02, Fmax=1.643e+03 (atom 4996)
Step 3449, Epot=-2.384606e+05, Fnorm=2.816e+02, Fmax=1.588e+03 (atom 6082)
Step 3450, Epot=-2.384608e+05, Fnorm=2.785e+02, Fmax=1.684e+03 (atom 4498)
Step 3451, Epot=-2.384611e+05, Fnorm=2.725e+02, Fmax=1.668e+03 (atom 1258)
Step 3452, Epot=-2.384613e+05, Fnorm=2.823e+02, Fmax=1.828e+03 (atom 3310)
Step 3453, Epot=-2.384616e+05, Fnorm=2.771e+02, Fmax=1.535e+03 (atom 5434)
Step 3454, Epot=-2.384618e+05, Fnorm=2.862e+02, Fmax=1.635e+03 (atom 4156)
Step 3455, Epot=-2.384621e+05, Fnorm=2.888e+02, Fmax=1.701e+03 (atom 2392)
Step 3456, Epot=-2.384624e+05, Fnorm=2.857e+02, Fmax=1.728e+03 (atom 5482)
Step 3457, Epot=-2.384627e+05, Fnorm=2.795e+02, Fmax=1.515e+03 (atom 4030)
Step 3458, Epot=-2.384630e+05, Fnorm=2.761e+02, Fmax=1.526e+03 (atom 5680)
Step 3459, Epot=-2.384632e+05, Fnorm=2.727e+02, Fmax=1.746e+03 (atom 994)
Step 3460, Epot=-2.384635e+05, Fnorm=2.756e+02, Fmax=1.543e+03 (atom 3970)
Step 3461, Epot=-2.384638e+05, Fnorm=2.800e+02, Fmax=1.620e+03 (atom 2392)
Step 3462, Epot=-2.384640e+05, Fnorm=2.826e+02, Fmax=1.757e+03 (atom 2770)
Step 3463, Epot=-2.384642e+05, Fnorm=2.761e+02, Fmax=2.417e+03 (atom 2770)
Step 3464, Epot=-2.384644e+05, Fnorm=2.761e+02, Fmax=1.614e+03 (atom 1354)
Step 3465, Epot=-2.384647e+05, Fnorm=2.807e+02, Fmax=1.591e+03 (atom 3964)
Step 3466, Epot=-2.384649e+05, Fnorm=2.821e+02, Fmax=1.591e+03 (atom 3964)
Step 3467, Epot=-2.384652e+05, Fnorm=2.794e+02, Fmax=1.458e+03 (atom 4696)
Step 3468, Epot=-2.384654e+05, Fnorm=2.775e+02, Fmax=1.655e+03 (atom 2596)
Step 3469, Epot=-2.384655e+05, Fnorm=2.859e+02, Fmax=1.960e+03 (atom 3574)
Step 3470, Epot=-2.384657e+05, Fnorm=2.805e+02, Fmax=1.543e+03 (atom 4558)
Step 3471, Epot=-2.384660e+05, Fnorm=2.801e+02, Fmax=1.983e+03 (atom 1708)
Step 3472, Epot=-2.384662e+05, Fnorm=2.735e+02, Fmax=1.509e+03 (atom 2710)
Step 3473, Epot=-2.384664e+05, Fnorm=2.781e+02, Fmax=1.664e+03 (atom 5956)
Step 3474, Epot=-2.384666e+05, Fnorm=2.854e+02, Fmax=1.964e+03 (atom 3574)
Step 3475, Epot=-2.384668e+05, Fnorm=2.845e+02, Fmax=1.747e+03 (atom 1192)
Step 3476, Epot=-2.384671e+05, Fnorm=2.857e+02, Fmax=1.746e+03 (atom 1192)
Step 3477, Epot=-2.384674e+05, Fnorm=2.832e+02, Fmax=1.705e+03 (atom 5878)
Step 3478, Epot=-2.384677e+05, Fnorm=2.759e+02, Fmax=1.740e+03 (atom 586)
Step 3479, Epot=-2.384680e+05, Fnorm=2.859e+02, Fmax=1.740e+03 (atom 586)
Step 3480, Epot=-2.384682e+05, Fnorm=2.828e+02, Fmax=1.801e+03 (atom 562)
Step 3481, Epot=-2.384685e+05, Fnorm=2.815e+02, Fmax=1.528e+03 (atom 4630)
Step 3482, Epot=-2.384688e+05, Fnorm=2.833e+02, Fmax=1.635e+03 (atom 436)
Step 3483, Epot=-2.384691e+05, Fnorm=2.798e+02, Fmax=1.748e+03 (atom 664)
Step 3484, Epot=-2.384693e+05, Fnorm=2.775e+02, Fmax=2.417e+03 (atom 2770)
Step 3485, Epot=-2.384696e+05, Fnorm=2.755e+02, Fmax=1.537e+03 (atom 3910)
Step 3486, Epot=-2.384698e+05, Fnorm=2.781e+02, Fmax=1.653e+03 (atom 2596)
Step 3487, Epot=-2.384701e+05, Fnorm=2.849e+02, Fmax=1.671e+03 (atom 4498)
Step 3488, Epot=-2.384704e+05, Fnorm=2.840e+02, Fmax=1.448e+03 (atom 394)
Step 3489, Epot=-2.384707e+05, Fnorm=2.749e+02, Fmax=1.594e+03 (atom 3454)
Step 3490, Epot=-2.384710e+05, Fnorm=2.823e+02, Fmax=1.690e+03 (atom 2044)
Step 3491, Epot=-2.384712e+05, Fnorm=2.784e+02, Fmax=2.416e+03 (atom 2770)
Step 3492, Epot=-2.384714e+05, Fnorm=2.842e+02, Fmax=1.558e+03 (atom 3910)
Step 3493, Epot=-2.384718e+05, Fnorm=2.902e+02, Fmax=1.845e+03 (atom 5434)
Step 3494, Epot=-2.384720e+05, Fnorm=2.807e+02, Fmax=2.104e+03 (atom 4498)
Step 3495, Epot=-2.384723e+05, Fnorm=2.726e+02, Fmax=2.104e+03 (atom 4498)
Step 3496, Epot=-2.384725e+05, Fnorm=2.726e+02, Fmax=1.475e+03 (atom 5938)
Step 3497, Epot=-2.384728e+05, Fnorm=2.757e+02, Fmax=1.591e+03 (atom 3574)
Step 3498, Epot=-2.384731e+05, Fnorm=2.721e+02, Fmax=1.396e+03 (atom 4996)
Step 3499, Epot=-2.384733e+05, Fnorm=2.839e+02, Fmax=1.966e+03 (atom 826)
Step 3500, Epot=-2.384736e+05, Fnorm=2.761e+02, Fmax=1.508e+03 (atom 3892)
Step 3501, Epot=-2.384738e+05, Fnorm=2.785e+02, Fmax=1.633e+03 (atom 4156)
Step 3502, Epot=-2.384741e+05, Fnorm=2.862e+02, Fmax=2.176e+03 (atom 4156)
Step 3503, Epot=-2.384744e+05, Fnorm=2.799e+02, Fmax=1.639e+03 (atom 2044)
Step 3504, Epot=-2.384748e+05, Fnorm=2.803e+02, Fmax=1.703e+03 (atom 1066)
Step 3505, Epot=-2.384750e+05, Fnorm=2.888e+02, Fmax=2.082e+03 (atom 5944)
Step 3506, Epot=-2.384754e+05, Fnorm=2.815e+02, Fmax=1.622e+03 (atom 3856)
Step 3507, Epot=-2.384756e+05, Fnorm=2.787e+02, Fmax=2.116e+03 (atom 2038)
Step 3508, Epot=-2.384759e+05, Fnorm=2.818e+02, Fmax=1.641e+03 (atom 3442)
Step 3509, Epot=-2.384762e+05, Fnorm=2.833e+02, Fmax=1.630e+03 (atom 4156)
Step 3510, Epot=-2.384765e+05, Fnorm=2.745e+02, Fmax=1.834e+03 (atom 3310)
Step 3511, Epot=-2.384768e+05, Fnorm=2.749e+02, Fmax=1.834e+03 (atom 3310)
Step 3512, Epot=-2.384770e+05, Fnorm=2.842e+02, Fmax=1.974e+03 (atom 5062)
Step 3513, Epot=-2.384774e+05, Fnorm=2.789e+02, Fmax=2.012e+03 (atom 4030)
Step 3514, Epot=-2.384777e+05, Fnorm=2.776e+02, Fmax=1.594e+03 (atom 2038)
Step 3515, Epot=-2.384779e+05, Fnorm=2.761e+02, Fmax=1.677e+03 (atom 2392)
Step 3516, Epot=-2.384782e+05, Fnorm=2.751e+02, Fmax=1.976e+03 (atom 1708)
Step 3517, Epot=-2.384784e+05, Fnorm=2.759e+02, Fmax=1.675e+03 (atom 4498)
Step 3518, Epot=-2.384787e+05, Fnorm=2.798e+02, Fmax=1.674e+03 (atom 4498)
Step 3519, Epot=-2.384790e+05, Fnorm=2.821e+02, Fmax=2.010e+03 (atom 4030)
Step 3520, Epot=-2.384792e+05, Fnorm=2.776e+02, Fmax=2.023e+03 (atom 4030)
Step 3521, Epot=-2.384795e+05, Fnorm=2.723e+02, Fmax=1.592e+03 (atom 5494)
Step 3522, Epot=-2.384798e+05, Fnorm=2.733e+02, Fmax=1.614e+03 (atom 658)
Step 3523, Epot=-2.384801e+05, Fnorm=2.823e+02, Fmax=1.521e+03 (atom 4630)
Step 3524, Epot=-2.384803e+05, Fnorm=2.778e+02, Fmax=2.106e+03 (atom 4498)
Step 3525, Epot=-2.384805e+05, Fnorm=2.760e+02, Fmax=1.760e+03 (atom 4762)
Step 3526, Epot=-2.384808e+05, Fnorm=2.890e+02, Fmax=1.980e+03 (atom 3574)
Step 3527, Epot=-2.384811e+05, Fnorm=2.784e+02, Fmax=1.518e+03 (atom 2044)
Step 3528, Epot=-2.384813e+05, Fnorm=2.790e+02, Fmax=1.878e+03 (atom 3970)
Step 3529, Epot=-2.384817e+05, Fnorm=2.757e+02, Fmax=1.559e+03 (atom 3910)
Step 3530, Epot=-2.384820e+05, Fnorm=2.796e+02, Fmax=1.671e+03 (atom 2392)
Step 3531, Epot=-2.384821e+05, Fnorm=2.801e+02, Fmax=1.960e+03 (atom 334)
Step 3532, Epot=-2.384824e+05, Fnorm=2.718e+02, Fmax=1.588e+03 (atom 3934)
Step 3533, Epot=-2.384826e+05, Fnorm=2.754e+02, Fmax=1.527e+03 (atom 5938)
Step 3534, Epot=-2.384829e+05, Fnorm=2.818e+02, Fmax=1.525e+03 (atom 1330)
Step 3535, Epot=-2.384831e+05, Fnorm=2.914e+02, Fmax=1.772e+03 (atom 4264)
Step 3536, Epot=-2.384834e+05, Fnorm=2.778e+02, Fmax=1.542e+03 (atom 1774)
Step 3537, Epot=-2.384837e+05, Fnorm=2.811e+02, Fmax=1.540e+03 (atom 586)
Step 3538, Epot=-2.384799e+05, Fnorm=2.810e+02, Fmax=1.413e+03 (atom 5476)
Step 3539, Epot=-2.384801e+05, Fnorm=2.776e+02, Fmax=2.012e+03 (atom 4030)
Step 3540, Epot=-2.384805e+05, Fnorm=2.780e+02, Fmax=1.518e+03 (atom 562)
Step 3541, Epot=-2.384809e+05, Fnorm=2.780e+02, Fmax=1.537e+03 (atom 1354)
Step 3542, Epot=-2.384811e+05, Fnorm=2.840e+02, Fmax=1.981e+03 (atom 4564)
Step 3543, Epot=-2.384814e+05, Fnorm=2.804e+02, Fmax=1.998e+03 (atom 4030)
Step 3544, Epot=-2.384818e+05, Fnorm=2.800e+02, Fmax=1.875e+03 (atom 1510)
Step 3545, Epot=-2.384820e+05, Fnorm=2.748e+02, Fmax=1.627e+03 (atom 3958)
Step 3546, Epot=-2.384824e+05, Fnorm=2.844e+02, Fmax=1.632e+03 (atom 436)
Step 3547, Epot=-2.384827e+05, Fnorm=2.800e+02, Fmax=1.602e+03 (atom 3454)
Step 3548, Epot=-2.384830e+05, Fnorm=2.758e+02, Fmax=1.619e+03 (atom 6124)
Step 3549, Epot=-2.384834e+05, Fnorm=2.790e+02, Fmax=2.012e+03 (atom 4030)
Step 3550, Epot=-2.384837e+05, Fnorm=2.819e+02, Fmax=2.090e+03 (atom 5944)
Step 3551, Epot=-2.384840e+05, Fnorm=2.767e+02, Fmax=1.910e+03 (atom 5152)
Step 3552, Epot=-2.384843e+05, Fnorm=2.803e+02, Fmax=1.669e+03 (atom 1516)
Step 3553, Epot=-2.384846e+05, Fnorm=2.842e+02, Fmax=2.153e+03 (atom 598)
Step 3554, Epot=-2.384849e+05, Fnorm=2.791e+02, Fmax=1.803e+03 (atom 4264)
Step 3555, Epot=-2.384852e+05, Fnorm=2.716e+02, Fmax=1.512e+03 (atom 4558)
Step 3556, Epot=-2.384855e+05, Fnorm=2.792e+02, Fmax=1.810e+03 (atom 3310)
Step 3557, Epot=-2.384858e+05, Fnorm=2.821e+02, Fmax=1.833e+03 (atom 5944)
Step 3558, Epot=-2.384861e+05, Fnorm=2.842e+02, Fmax=1.910e+03 (atom 5152)
Step 3559, Epot=-2.384864e+05, Fnorm=2.866e+02, Fmax=1.721e+03 (atom 1768)
Step 3560, Epot=-2.384867e+05, Fnorm=2.776e+02, Fmax=1.692e+03 (atom 1516)
Step 3561, Epot=-2.384870e+05, Fnorm=2.809e+02, Fmax=1.707e+03 (atom 4156)
Step 3562, Epot=-2.384874e+05, Fnorm=2.775e+02, Fmax=1.881e+03 (atom 3970)
Step 3563, Epot=-2.384876e+05, Fnorm=2.839e+02, Fmax=1.702e+03 (atom 3676)
Step 3564, Epot=-2.384879e+05, Fnorm=2.737e+02, Fmax=1.574e+03 (atom 3910)
Step 3565, Epot=-2.384883e+05, Fnorm=2.806e+02, Fmax=1.599e+03 (atom 658)
Step 3566, Epot=-2.384885e+05, Fnorm=2.842e+02, Fmax=2.097e+03 (atom 5944)
Step 3567, Epot=-2.384888e+05, Fnorm=2.756e+02, Fmax=1.939e+03 (atom 1708)
Step 3568, Epot=-2.384891e+05, Fnorm=2.757e+02, Fmax=1.759e+03 (atom 994)
Step 3569, Epot=-2.384894e+05, Fnorm=2.808e+02, Fmax=1.619e+03 (atom 3856)
Step 3570, Epot=-2.384897e+05, Fnorm=2.872e+02, Fmax=1.925e+03 (atom 1972)
Step 3571, Epot=-2.384900e+05, Fnorm=2.824e+02, Fmax=1.754e+03 (atom 2770)
Step 3572, Epot=-2.384903e+05, Fnorm=2.870e+02, Fmax=1.458e+03 (atom 2572)
Step 3573, Epot=-2.384907e+05, Fnorm=2.847e+02, Fmax=1.626e+03 (atom 2848)
Step 3574, Epot=-2.384911e+05, Fnorm=2.900e+02, Fmax=2.424e+03 (atom 3508)
Step 3575, Epot=-2.384915e+05, Fnorm=2.847e+02, Fmax=1.649e+03 (atom 4996)
Step 3576, Epot=-2.384918e+05, Fnorm=2.858e+02, Fmax=1.452e+03 (atom 5194)
Step 3577, Epot=-2.384922e+05, Fnorm=2.835e+02, Fmax=1.989e+03 (atom 2194)
Step 3578, Epot=-2.384926e+05, Fnorm=2.729e+02, Fmax=1.640e+03 (atom 436)
Step 3579, Epot=-2.384929e+05, Fnorm=2.831e+02, Fmax=1.624e+03 (atom 916)
Step 3580, Epot=-2.384932e+05, Fnorm=2.806e+02, Fmax=1.931e+03 (atom 1708)
Step 3581, Epot=-2.384936e+05, Fnorm=2.790e+02, Fmax=1.503e+03 (atom 4558)
Step 3582, Epot=-2.384940e+05, Fnorm=2.958e+02, Fmax=1.988e+03 (atom 3574)
Step 3583, Epot=-2.384943e+05, Fnorm=2.817e+02, Fmax=1.657e+03 (atom 5482)
Step 3584, Epot=-2.384947e+05, Fnorm=2.754e+02, Fmax=1.644e+03 (atom 436)
Step 3585, Epot=-2.384951e+05, Fnorm=2.776e+02, Fmax=1.696e+03 (atom 3508)
Step 3586, Epot=-2.384954e+05, Fnorm=2.806e+02, Fmax=1.548e+03 (atom 5224)
Step 3587, Epot=-2.384958e+05, Fnorm=2.805e+02, Fmax=1.570e+03 (atom 3958)
Step 3588, Epot=-2.384961e+05, Fnorm=2.802e+02, Fmax=1.601e+03 (atom 5218)
Step 3589, Epot=-2.384965e+05, Fnorm=2.808e+02, Fmax=1.611e+03 (atom 4030)
Step 3590, Epot=-2.384968e+05, Fnorm=2.805e+02, Fmax=1.498e+03 (atom 4690)
Step 3591, Epot=-2.384972e+05, Fnorm=2.783e+02, Fmax=1.616e+03 (atom 1846)
Step 3592, Epot=-2.384976e+05, Fnorm=2.790e+02, Fmax=2.204e+03 (atom 4156)
Step 3593, Epot=-2.384979e+05, Fnorm=2.807e+02, Fmax=2.258e+03 (atom 2968)
Step 3594, Epot=-2.384982e+05, Fnorm=2.763e+02, Fmax=1.791e+03 (atom 2836)
Step 3595, Epot=-2.384986e+05, Fnorm=2.845e+02, Fmax=1.535e+03 (atom 5746)
Step 3596, Epot=-2.384989e+05, Fnorm=2.844e+02, Fmax=1.541e+03 (atom 1618)
Step 3597, Epot=-2.384993e+05, Fnorm=2.786e+02, Fmax=1.661e+03 (atom 1330)
Step 3598, Epot=-2.384996e+05, Fnorm=2.827e+02, Fmax=1.784e+03 (atom 3310)
Step 3599, Epot=-2.384999e+05, Fnorm=2.872e+02, Fmax=1.861e+03 (atom 5434)
Step 3600, Epot=-2.385003e+05, Fnorm=2.752e+02, Fmax=1.550e+03 (atom 1192)
Step 3601, Epot=-2.385007e+05, Fnorm=2.835e+02, Fmax=1.960e+03 (atom 4564)
Step 3602, Epot=-2.385010e+05, Fnorm=2.828e+02, Fmax=1.508e+03 (atom 1900)
Step 3603, Epot=-2.385013e+05, Fnorm=2.829e+02, Fmax=1.576e+03 (atom 5164)
Step 3604, Epot=-2.385017e+05, Fnorm=2.787e+02, Fmax=1.702e+03 (atom 370)
Step 3605, Epot=-2.385020e+05, Fnorm=2.872e+02, Fmax=1.849e+03 (atom 4264)
Step 3606, Epot=-2.385023e+05, Fnorm=2.830e+02, Fmax=1.616e+03 (atom 5062)
Step 3607, Epot=-2.385026e+05, Fnorm=2.786e+02, Fmax=1.794e+03 (atom 2596)
Step 3608, Epot=-2.385030e+05, Fnorm=2.786e+02, Fmax=1.416e+03 (atom 1246)
Step 3609, Epot=-2.385032e+05, Fnorm=2.773e+02, Fmax=1.923e+03 (atom 1708)
Step 3610, Epot=-2.385036e+05, Fnorm=2.755e+02, Fmax=1.922e+03 (atom 1708)
Step 3611, Epot=-2.385039e+05, Fnorm=2.844e+02, Fmax=1.880e+03 (atom 4264)
Step 3612, Epot=-2.385043e+05, Fnorm=2.879e+02, Fmax=1.577e+03 (atom 3910)
Step 3613, Epot=-2.385046e+05, Fnorm=2.942e+02, Fmax=1.628e+03 (atom 3856)
Step 3614, Epot=-2.385050e+05, Fnorm=2.850e+02, Fmax=1.721e+03 (atom 1768)
Step 3615, Epot=-2.385054e+05, Fnorm=2.771e+02, Fmax=1.536e+03 (atom 1774)
Step 3616, Epot=-2.385058e+05, Fnorm=2.744e+02, Fmax=1.609e+03 (atom 1330)
Step 3617, Epot=-2.385062e+05, Fnorm=2.828e+02, Fmax=1.770e+03 (atom 4912)
Step 3618, Epot=-2.385065e+05, Fnorm=2.731e+02, Fmax=1.765e+03 (atom 5812)
Step 3619, Epot=-2.385069e+05, Fnorm=2.830e+02, Fmax=1.780e+03 (atom 826)
Step 3620, Epot=-2.385072e+05, Fnorm=2.824e+02, Fmax=1.584e+03 (atom 5428)
Step 3621, Epot=-2.385076e+05, Fnorm=2.761e+02, Fmax=1.686e+03 (atom 466)
Step 3622, Epot=-2.385080e+05, Fnorm=2.750e+02, Fmax=1.635e+03 (atom 4006)
Step 3623, Epot=-2.385083e+05, Fnorm=2.812e+02, Fmax=1.720e+03 (atom 664)
Step 3624, Epot=-2.385087e+05, Fnorm=2.789e+02, Fmax=2.067e+03 (atom 2836)
Step 3625, Epot=-2.385091e+05, Fnorm=2.761e+02, Fmax=1.770e+03 (atom 3310)
Step 3626, Epot=-2.385095e+05, Fnorm=2.901e+02, Fmax=1.662e+03 (atom 4156)
Step 3627, Epot=-2.385099e+05, Fnorm=2.852e+02, Fmax=1.870e+03 (atom 922)
Step 3628, Epot=-2.385104e+05, Fnorm=2.910e+02, Fmax=1.964e+03 (atom 3442)
Step 3629, Epot=-2.385109e+05, Fnorm=2.882e+02, Fmax=1.489e+03 (atom 4756)
Step 3630, Epot=-2.385114e+05, Fnorm=2.850e+02, Fmax=1.640e+03 (atom 5692)
Step 3631, Epot=-2.385118e+05, Fnorm=2.820e+02, Fmax=1.439e+03 (atom 3676)
Step 3632, Epot=-2.385123e+05, Fnorm=2.779e+02, Fmax=1.455e+03 (atom 5884)
Step 3633, Epot=-2.385128e+05, Fnorm=2.762e+02, Fmax=1.727e+03 (atom 3520)
Step 3634, Epot=-2.385133e+05, Fnorm=2.840e+02, Fmax=1.884e+03 (atom 2038)
Step 3635, Epot=-2.385137e+05, Fnorm=2.826e+02, Fmax=1.571e+03 (atom 3934)
Step 3636, Epot=-2.385142e+05, Fnorm=2.869e+02, Fmax=1.610e+03 (atom 6076)
Step 3637, Epot=-2.385147e+05, Fnorm=2.839e+02, Fmax=1.780e+03 (atom 5416)
Step 3638, Epot=-2.385152e+05, Fnorm=2.850e+02, Fmax=1.983e+03 (atom 826)
Step 3639, Epot=-2.385156e+05, Fnorm=2.828e+02, Fmax=1.763e+03 (atom 3310)
Step 3640, Epot=-2.385161e+05, Fnorm=2.770e+02, Fmax=1.517e+03 (atom 670)
Step 3641, Epot=-2.385166e+05, Fnorm=2.888e+02, Fmax=1.517e+03 (atom 3448)
Step 3642, Epot=-2.385170e+05, Fnorm=2.844e+02, Fmax=1.775e+03 (atom 2836)
Step 3643, Epot=-2.385175e+05, Fnorm=2.789e+02, Fmax=1.853e+03 (atom 3898)
Step 3644, Epot=-2.385180e+05, Fnorm=2.899e+02, Fmax=1.959e+03 (atom 4564)
Step 3645, Epot=-2.385184e+05, Fnorm=2.800e+02, Fmax=1.552e+03 (atom 3508)
Step 3646, Epot=-2.385188e+05, Fnorm=2.905e+02, Fmax=1.770e+03 (atom 5812)
Step 3647, Epot=-2.385193e+05, Fnorm=2.862e+02, Fmax=1.564e+03 (atom 5956)
Step 3648, Epot=-2.385198e+05, Fnorm=2.843e+02, Fmax=1.664e+03 (atom 4156)
Step 3649, Epot=-2.385202e+05, Fnorm=2.839e+02, Fmax=1.778e+03 (atom 2836)
Step 3650, Epot=-2.385208e+05, Fnorm=2.762e+02, Fmax=1.749e+03 (atom 826)
Step 3651, Epot=-2.385212e+05, Fnorm=2.892e+02, Fmax=1.879e+03 (atom 922)
Step 3652, Epot=-2.385217e+05, Fnorm=2.795e+02, Fmax=1.857e+03 (atom 4402)
Step 3653, Epot=-2.385222e+05, Fnorm=2.792e+02, Fmax=1.623e+03 (atom 4630)
Step 3654, Epot=-2.385226e+05, Fnorm=2.811e+02, Fmax=1.610e+03 (atom 2038)
Step 3655, Epot=-2.385231e+05, Fnorm=2.821e+02, Fmax=1.878e+03 (atom 5062)
Step 3656, Epot=-2.385236e+05, Fnorm=2.791e+02, Fmax=1.599e+03 (atom 2848)
Step 3657, Epot=-2.385240e+05, Fnorm=2.833e+02, Fmax=1.696e+03 (atom 5272)
Step 3658, Epot=-2.385245e+05, Fnorm=2.844e+02, Fmax=2.155e+03 (atom 2038)
Step 3659, Epot=-2.385250e+05, Fnorm=2.829e+02, Fmax=1.716e+03 (atom 1768)
Step 3660, Epot=-2.385256e+05, Fnorm=2.801e+02, Fmax=1.452e+03 (atom 5194)
Step 3661, Epot=-2.385260e+05, Fnorm=2.741e+02, Fmax=1.521e+03 (atom 5608)
Step 3662, Epot=-2.385265e+05, Fnorm=2.786e+02, Fmax=2.042e+03 (atom 1330)
Step 3663, Epot=-2.385269e+05, Fnorm=2.848e+02, Fmax=2.066e+03 (atom 2836)
Step 3664, Epot=-2.385275e+05, Fnorm=2.789e+02, Fmax=1.339e+03 (atom 1780)
Step 3665, Epot=-2.385279e+05, Fnorm=2.834e+02, Fmax=1.907e+03 (atom 5680)
Step 3666, Epot=-2.385284e+05, Fnorm=2.768e+02, Fmax=1.717e+03 (atom 4156)
Step 3667, Epot=-2.385288e+05, Fnorm=2.743e+02, Fmax=1.547e+03 (atom 1774)
Step 3668, Epot=-2.385292e+05, Fnorm=2.795e+02, Fmax=1.618e+03 (atom 3856)
Step 3669, Epot=-2.385295e+05, Fnorm=2.748e+02, Fmax=1.640e+03 (atom 5218)
Step 3670, Epot=-2.385300e+05, Fnorm=2.857e+02, Fmax=1.966e+03 (atom 4564)
Step 3671, Epot=-2.385303e+05, Fnorm=2.891e+02, Fmax=1.755e+03 (atom 3310)
Step 3672, Epot=-2.385308e+05, Fnorm=2.893e+02, Fmax=2.224e+03 (atom 4696)
Step 3673, Epot=-2.385312e+05, Fnorm=2.823e+02, Fmax=2.225e+03 (atom 4696)
Step 3674, Epot=-2.385315e+05, Fnorm=2.823e+02, Fmax=1.547e+03 (atom 1774)
Step 3675, Epot=-2.385320e+05, Fnorm=2.854e+02, Fmax=1.520e+03 (atom 994)
Step 3676, Epot=-2.385323e+05, Fnorm=2.836e+02, Fmax=1.561e+03 (atom 2848)
Step 3677, Epot=-2.385327e+05, Fnorm=2.846e+02, Fmax=2.162e+03 (atom 2326)
Step 3678, Epot=-2.385332e+05, Fnorm=2.841e+02, Fmax=1.721e+03 (atom 586)
Step 3679, Epot=-2.385336e+05, Fnorm=2.847e+02, Fmax=1.520e+03 (atom 1774)
Step 3680, Epot=-2.385341e+05, Fnorm=2.921e+02, Fmax=1.987e+03 (atom 5482)
Step 3681, Epot=-2.385345e+05, Fnorm=2.805e+02, Fmax=1.723e+03 (atom 826)
Step 3682, Epot=-2.385350e+05, Fnorm=2.745e+02, Fmax=1.546e+03 (atom 1504)
Step 3683, Epot=-2.385355e+05, Fnorm=2.833e+02, Fmax=2.090e+03 (atom 4498)
Step 3684, Epot=-2.385359e+05, Fnorm=2.879e+02, Fmax=2.090e+03 (atom 4498)
Step 3685, Epot=-2.385365e+05, Fnorm=2.828e+02, Fmax=1.629e+03 (atom 2038)
Step 3686, Epot=-2.385369e+05, Fnorm=2.771e+02, Fmax=1.759e+03 (atom 1354)
Step 3687, Epot=-2.385374e+05, Fnorm=2.800e+02, Fmax=1.759e+03 (atom 1354)
Step 3688, Epot=-2.385380e+05, Fnorm=2.859e+02, Fmax=1.953e+03 (atom 1708)
Step 3689, Epot=-2.385387e+05, Fnorm=2.804e+02, Fmax=1.713e+03 (atom 1768)
Step 3690, Epot=-2.385393e+05, Fnorm=2.806e+02, Fmax=1.523e+03 (atom 562)
Step 3691, Epot=-2.385399e+05, Fnorm=2.822e+02, Fmax=1.753e+03 (atom 5422)
Step 3692, Epot=-2.385405e+05, Fnorm=2.794e+02, Fmax=1.644e+03 (atom 2038)
Step 3693, Epot=-2.385411e+05, Fnorm=2.822e+02, Fmax=1.589e+03 (atom 3910)
Step 3694, Epot=-2.385417e+05, Fnorm=2.841e+02, Fmax=1.658e+03 (atom 4498)
Step 3695, Epot=-2.385422e+05, Fnorm=2.852e+02, Fmax=1.692e+03 (atom 5056)
Step 3696, Epot=-2.385428e+05, Fnorm=2.772e+02, Fmax=1.800e+03 (atom 5812)
Step 3697, Epot=-2.385434e+05, Fnorm=2.855e+02, Fmax=1.718e+03 (atom 586)
Step 3698, Epot=-2.385440e+05, Fnorm=2.819e+02, Fmax=1.976e+03 (atom 2770)
Step 3699, Epot=-2.385445e+05, Fnorm=2.843e+02, Fmax=1.975e+03 (atom 2770)
Step 3700, Epot=-2.385451e+05, Fnorm=2.831e+02, Fmax=2.092e+03 (atom 4498)
Step 3701, Epot=-2.385456e+05, Fnorm=2.843e+02, Fmax=1.972e+03 (atom 5152)
Step 3702, Epot=-2.385462e+05, Fnorm=2.860e+02, Fmax=1.550e+03 (atom 1774)
Step 3703, Epot=-2.385468e+05, Fnorm=2.805e+02, Fmax=1.717e+03 (atom 586)
Step 3704, Epot=-2.385474e+05, Fnorm=2.811e+02, Fmax=1.643e+03 (atom 4156)
Step 3705, Epot=-2.385480e+05, Fnorm=2.839e+02, Fmax=1.714e+03 (atom 3508)
Step 3706, Epot=-2.385486e+05, Fnorm=2.831e+02, Fmax=1.606e+03 (atom 6082)
Step 3707, Epot=-2.385492e+05, Fnorm=2.793e+02, Fmax=2.089e+03 (atom 4498)
Step 3708, Epot=-2.385498e+05, Fnorm=2.788e+02, Fmax=1.586e+03 (atom 658)
Step 3709, Epot=-2.385505e+05, Fnorm=2.808e+02, Fmax=2.025e+03 (atom 4564)
Step 3710, Epot=-2.385510e+05, Fnorm=2.885e+02, Fmax=1.744e+03 (atom 5422)
Step 3711, Epot=-2.385517e+05, Fnorm=2.791e+02, Fmax=1.537e+03 (atom 4912)
Step 3712, Epot=-2.385523e+05, Fnorm=2.801e+02, Fmax=1.713e+03 (atom 3508)
Step 3713, Epot=-2.385529e+05, Fnorm=2.815e+02, Fmax=1.839e+03 (atom 802)
Step 3714, Epot=-2.385535e+05, Fnorm=2.826e+02, Fmax=1.506e+03 (atom 2770)
Step 3715, Epot=-2.385541e+05, Fnorm=2.790e+02, Fmax=1.799e+03 (atom 2836)
Step 3716, Epot=-2.385546e+05, Fnorm=2.897e+02, Fmax=1.646e+03 (atom 5692)
Step 3717, Epot=-2.385552e+05, Fnorm=2.869e+02, Fmax=1.587e+03 (atom 3910)
Step 3718, Epot=-2.385558e+05, Fnorm=2.819e+02, Fmax=1.587e+03 (atom 3910)
Step 3719, Epot=-2.385564e+05, Fnorm=2.800e+02, Fmax=2.033e+03 (atom 4564)
Step 3720, Epot=-2.385570e+05, Fnorm=2.852e+02, Fmax=1.748e+03 (atom 3310)
Step 3721, Epot=-2.385576e+05, Fnorm=2.856e+02, Fmax=1.963e+03 (atom 1708)
Step 3722, Epot=-2.385581e+05, Fnorm=2.889e+02, Fmax=1.535e+03 (atom 3520)
Step 3723, Epot=-2.385587e+05, Fnorm=2.855e+02, Fmax=1.773e+03 (atom 598)
Step 3724, Epot=-2.385593e+05, Fnorm=2.878e+02, Fmax=1.791e+03 (atom 4264)
Step 3725, Epot=-2.385600e+05, Fnorm=2.793e+02, Fmax=1.779e+03 (atom 370)
Step 3726, Epot=-2.385606e+05, Fnorm=2.811e+02, Fmax=1.648e+03 (atom 5878)
Step 3727, Epot=-2.385612e+05, Fnorm=2.821e+02, Fmax=1.955e+03 (atom 3574)
Step 3728, Epot=-2.385619e+05, Fnorm=2.833e+02, Fmax=1.817e+03 (atom 922)
Step 3729, Epot=-2.385625e+05, Fnorm=2.816e+02, Fmax=1.620e+03 (atom 4156)
Step 3730, Epot=-2.385631e+05, Fnorm=2.839e+02, Fmax=1.621e+03 (atom 916)
Step 3731, Epot=-2.385637e+05, Fnorm=2.867e+02, Fmax=1.713e+03 (atom 5818)
Step 3732, Epot=-2.385644e+05, Fnorm=2.869e+02, Fmax=1.639e+03 (atom 2596)
Step 3733, Epot=-2.385651e+05, Fnorm=2.808e+02, Fmax=1.960e+03 (atom 3574)
Step 3734, Epot=-2.385657e+05, Fnorm=2.845e+02, Fmax=1.829e+03 (atom 1510)
Step 3735, Epot=-2.385663e+05, Fnorm=2.877e+02, Fmax=2.051e+03 (atom 3856)
Step 3736, Epot=-2.385670e+05, Fnorm=2.843e+02, Fmax=2.051e+03 (atom 3856)
Step 3737, Epot=-2.385677e+05, Fnorm=2.900e+02, Fmax=1.810e+03 (atom 5434)
Step 3738, Epot=-2.385684e+05, Fnorm=2.898e+02, Fmax=1.949e+03 (atom 5482)
Step 3739, Epot=-2.385693e+05, Fnorm=2.912e+02, Fmax=2.560e+03 (atom 5482)
Step 3740, Epot=-2.385699e+05, Fnorm=2.802e+02, Fmax=1.620e+03 (atom 2044)
Step 3741, Epot=-2.385706e+05, Fnorm=2.825e+02, Fmax=2.119e+03 (atom 2038)
Step 3742, Epot=-2.385712e+05, Fnorm=2.721e+02, Fmax=1.401e+03 (atom 6022)
Step 3743, Epot=-2.385719e+05, Fnorm=2.770e+02, Fmax=1.598e+03 (atom 3676)
Step 3744, Epot=-2.385725e+05, Fnorm=2.826e+02, Fmax=1.884e+03 (atom 3898)
Step 3745, Epot=-2.385731e+05, Fnorm=2.805e+02, Fmax=1.645e+03 (atom 3184)
Step 3746, Epot=-2.385738e+05, Fnorm=2.737e+02, Fmax=1.799e+03 (atom 4264)
Step 3747, Epot=-2.385745e+05, Fnorm=2.784e+02, Fmax=1.661e+03 (atom 466)
Step 3748, Epot=-2.385750e+05, Fnorm=2.818e+02, Fmax=1.602e+03 (atom 4156)
Step 3749, Epot=-2.385756e+05, Fnorm=2.763e+02, Fmax=2.134e+03 (atom 4498)
Step 3750, Epot=-2.385762e+05, Fnorm=2.775e+02, Fmax=1.622e+03 (atom 4630)
Step 3751, Epot=-2.385768e+05, Fnorm=2.854e+02, Fmax=1.969e+03 (atom 1708)
Step 3752, Epot=-2.385774e+05, Fnorm=2.845e+02, Fmax=1.497e+03 (atom 2770)
Step 3753, Epot=-2.385781e+05, Fnorm=2.866e+02, Fmax=1.765e+03 (atom 370)
Step 3754, Epot=-2.385788e+05, Fnorm=2.901e+02, Fmax=2.109e+03 (atom 4330)
Step 3755, Epot=-2.385794e+05, Fnorm=2.885e+02, Fmax=1.820e+03 (atom 922)
Step 3756, Epot=-2.385801e+05, Fnorm=2.836e+02, Fmax=1.511e+03 (atom 1618)
Step 3757, Epot=-2.385808e+05, Fnorm=2.879e+02, Fmax=2.140e+03 (atom 4498)
Step 3758, Epot=-2.385814e+05, Fnorm=2.779e+02, Fmax=1.499e+03 (atom 3508)
Step 3759, Epot=-2.385820e+05, Fnorm=2.752e+02, Fmax=1.614e+03 (atom 3910)
Step 3760, Epot=-2.385827e+05, Fnorm=2.828e+02, Fmax=1.811e+03 (atom 3520)
Step 3761, Epot=-2.385833e+05, Fnorm=2.842e+02, Fmax=1.496e+03 (atom 1852)
Step 3762, Epot=-2.385839e+05, Fnorm=2.806e+02, Fmax=1.498e+03 (atom 3892)
Step 3763, Epot=-2.385847e+05, Fnorm=2.822e+02, Fmax=1.662e+03 (atom 466)
Step 3764, Epot=-2.385853e+05, Fnorm=2.869e+02, Fmax=2.166e+03 (atom 664)
Step 3765, Epot=-2.385861e+05, Fnorm=2.862e+02, Fmax=1.492e+03 (atom 2848)
Step 3766, Epot=-2.385869e+05, Fnorm=2.864e+02, Fmax=1.843e+03 (atom 562)
Step 3767, Epot=-2.385876e+05, Fnorm=2.782e+02, Fmax=1.591e+03 (atom 6082)
Step 3768, Epot=-2.385884e+05, Fnorm=2.825e+02, Fmax=1.544e+03 (atom 1774)
Step 3769, Epot=-2.385891e+05, Fnorm=2.807e+02, Fmax=1.543e+03 (atom 1774)
Step 3770, Epot=-2.385898e+05, Fnorm=2.841e+02, Fmax=1.972e+03 (atom 2770)
Step 3771, Epot=-2.385906e+05, Fnorm=2.809e+02, Fmax=1.971e+03 (atom 2770)
Step 3772, Epot=-2.385913e+05, Fnorm=2.887e+02, Fmax=1.600e+03 (atom 5956)
Step 3773, Epot=-2.385921e+05, Fnorm=2.851e+02, Fmax=1.576e+03 (atom 5494)
Step 3774, Epot=-2.385929e+05, Fnorm=2.838e+02, Fmax=1.802e+03 (atom 5422)
Step 3775, Epot=-2.385938e+05, Fnorm=2.817e+02, Fmax=1.555e+03 (atom 3910)
Step 3776, Epot=-2.385945e+05, Fnorm=2.805e+02, Fmax=1.729e+03 (atom 3310)
Step 3777, Epot=-2.385952e+05, Fnorm=2.798e+02, Fmax=1.597e+03 (atom 1846)
Step 3778, Epot=-2.385960e+05, Fnorm=2.880e+02, Fmax=2.121e+03 (atom 3376)
Step 3779, Epot=-2.385968e+05, Fnorm=2.872e+02, Fmax=1.709e+03 (atom 6112)
Step 3780, Epot=-2.385976e+05, Fnorm=2.834e+02, Fmax=1.675e+03 (atom 802)
Step 3781, Epot=-2.385983e+05, Fnorm=2.784e+02, Fmax=1.626e+03 (atom 2044)
Step 3782, Epot=-2.385991e+05, Fnorm=2.817e+02, Fmax=1.981e+03 (atom 4030)
Step 3783, Epot=-2.385999e+05, Fnorm=2.882e+02, Fmax=2.149e+03 (atom 4498)
Step 3784, Epot=-2.386007e+05, Fnorm=2.807e+02, Fmax=1.625e+03 (atom 5878)
Step 3785, Epot=-2.386014e+05, Fnorm=2.828e+02, Fmax=1.513e+03 (atom 5608)
Step 3786, Epot=-2.386023e+05, Fnorm=2.927e+02, Fmax=2.126e+03 (atom 3376)
Step 3787, Epot=-2.386030e+05, Fnorm=2.857e+02, Fmax=1.712e+03 (atom 3508)
Step 3788, Epot=-2.386038e+05, Fnorm=2.808e+02, Fmax=1.846e+03 (atom 1768)
Step 3789, Epot=-2.386046e+05, Fnorm=2.823e+02, Fmax=2.173e+03 (atom 3898)
Step 3790, Epot=-2.386053e+05, Fnorm=2.792e+02, Fmax=1.764e+03 (atom 4264)
Step 3791, Epot=-2.386060e+05, Fnorm=2.795e+02, Fmax=1.850e+03 (atom 2836)
Step 3792, Epot=-2.386067e+05, Fnorm=2.881e+02, Fmax=2.155e+03 (atom 4498)
Step 3793, Epot=-2.386074e+05, Fnorm=2.899e+02, Fmax=1.601e+03 (atom 5164)
Step 3794, Epot=-2.386082e+05, Fnorm=2.859e+02, Fmax=1.655e+03 (atom 4156)
Step 3795, Epot=-2.386090e+05, Fnorm=2.804e+02, Fmax=1.737e+03 (atom 1768)
Step 3796, Epot=-2.386097e+05, Fnorm=2.745e+02, Fmax=1.519e+03 (atom 5938)
Step 3797, Epot=-2.386105e+05, Fnorm=2.757e+02, Fmax=1.769e+03 (atom 4264)
Step 3798, Epot=-2.386112e+05, Fnorm=2.842e+02, Fmax=1.591e+03 (atom 6082)
Step 3799, Epot=-2.386120e+05, Fnorm=2.812e+02, Fmax=1.848e+03 (atom 2836)
Step 3800, Epot=-2.386127e+05, Fnorm=2.819e+02, Fmax=1.588e+03 (atom 5494)
Step 3801, Epot=-2.386135e+05, Fnorm=2.823e+02, Fmax=1.604e+03 (atom 3964)
Step 3802, Epot=-2.386141e+05, Fnorm=2.735e+02, Fmax=1.448e+03 (atom 4030)
Step 3803, Epot=-2.386149e+05, Fnorm=2.833e+02, Fmax=1.858e+03 (atom 4402)
Step 3804, Epot=-2.386155e+05, Fnorm=2.866e+02, Fmax=1.716e+03 (atom 3508)
Step 3805, Epot=-2.386162e+05, Fnorm=2.850e+02, Fmax=1.796e+03 (atom 3676)
Step 3806, Epot=-2.386169e+05, Fnorm=2.801e+02, Fmax=2.026e+03 (atom 3574)
Step 3807, Epot=-2.386177e+05, Fnorm=2.823e+02, Fmax=1.570e+03 (atom 5542)
Step 3808, Epot=-2.386184e+05, Fnorm=2.823e+02, Fmax=1.597e+03 (atom 3958)
Step 3809, Epot=-2.386192e+05, Fnorm=2.836e+02, Fmax=2.144e+03 (atom 466)
Step 3810, Epot=-2.386199e+05, Fnorm=2.822e+02, Fmax=1.674e+03 (atom 3442)
Step 3811, Epot=-2.386205e+05, Fnorm=2.809e+02, Fmax=2.036e+03 (atom 1330)
Step 3812, Epot=-2.386212e+05, Fnorm=2.750e+02, Fmax=1.485e+03 (atom 4756)
Step 3813, Epot=-2.386219e+05, Fnorm=2.789e+02, Fmax=1.530e+03 (atom 3970)
Step 3814, Epot=-2.386225e+05, Fnorm=2.865e+02, Fmax=1.752e+03 (atom 5482)
Step 3815, Epot=-2.386231e+05, Fnorm=2.802e+02, Fmax=1.329e+03 (atom 5818)
Step 3816, Epot=-2.386238e+05, Fnorm=2.870e+02, Fmax=1.853e+03 (atom 1510)
Step 3817, Epot=-2.386244e+05, Fnorm=2.827e+02, Fmax=1.583e+03 (atom 1504)
Step 3818, Epot=-2.386251e+05, Fnorm=2.766e+02, Fmax=1.625e+03 (atom 2392)
Step 3819, Epot=-2.386258e+05, Fnorm=2.745e+02, Fmax=1.373e+03 (atom 3796)
Step 3820, Epot=-2.386264e+05, Fnorm=2.799e+02, Fmax=1.589e+03 (atom 6082)
Step 3821, Epot=-2.386270e+05, Fnorm=2.886e+02, Fmax=2.013e+03 (atom 862)
Step 3822, Epot=-2.386276e+05, Fnorm=2.817e+02, Fmax=1.716e+03 (atom 3508)
Step 3823, Epot=-2.386283e+05, Fnorm=2.787e+02, Fmax=1.586e+03 (atom 3958)
Step 3824, Epot=-2.386288e+05, Fnorm=2.833e+02, Fmax=1.663e+03 (atom 4156)
Step 3825, Epot=-2.386294e+05, Fnorm=2.833e+02, Fmax=1.542e+03 (atom 1900)
Step 3826, Epot=-2.386300e+05, Fnorm=2.783e+02, Fmax=1.432e+03 (atom 784)
Step 3827, Epot=-2.386306e+05, Fnorm=2.804e+02, Fmax=1.783e+03 (atom 5482)
Step 3828, Epot=-2.386312e+05, Fnorm=2.800e+02, Fmax=1.852e+03 (atom 1510)
Step 3829, Epot=-2.386318e+05, Fnorm=2.813e+02, Fmax=1.851e+03 (atom 1510)
Step 3830, Epot=-2.386323e+05, Fnorm=2.825e+02, Fmax=2.110e+03 (atom 5878)
Step 3831, Epot=-2.386329e+05, Fnorm=2.798e+02, Fmax=2.110e+03 (atom 5878)
Step 3832, Epot=-2.386334e+05, Fnorm=2.957e+02, Fmax=1.821e+03 (atom 5434)
Step 3833, Epot=-2.386340e+05, Fnorm=2.847e+02, Fmax=1.411e+03 (atom 3310)
Step 3834, Epot=-2.386346e+05, Fnorm=2.851e+02, Fmax=1.528e+03 (atom 1774)
Step 3835, Epot=-2.386352e+05, Fnorm=2.873e+02, Fmax=2.045e+03 (atom 4030)
Step 3836, Epot=-2.386358e+05, Fnorm=2.919e+02, Fmax=1.596e+03 (atom 4996)
Step 3837, Epot=-2.386364e+05, Fnorm=2.783e+02, Fmax=1.423e+03 (atom 1840)
Step 3838, Epot=-2.386370e+05, Fnorm=2.802e+02, Fmax=1.595e+03 (atom 6112)
Step 3839, Epot=-2.386375e+05, Fnorm=2.878e+02, Fmax=1.609e+03 (atom 4156)
Step 3840, Epot=-2.386381e+05, Fnorm=2.827e+02, Fmax=1.625e+03 (atom 4630)
Step 3841, Epot=-2.386386e+05, Fnorm=2.773e+02, Fmax=2.102e+03 (atom 4330)
Step 3842, Epot=-2.386390e+05, Fnorm=2.805e+02, Fmax=1.759e+03 (atom 586)
Step 3843, Epot=-2.386394e+05, Fnorm=2.830e+02, Fmax=1.568e+03 (atom 5956)
Step 3844, Epot=-2.386399e+05, Fnorm=2.793e+02, Fmax=1.515e+03 (atom 5170)
Step 3845, Epot=-2.386405e+05, Fnorm=2.760e+02, Fmax=1.579e+03 (atom 3454)
Step 3846, Epot=-2.386408e+05, Fnorm=2.809e+02, Fmax=1.599e+03 (atom 3910)
Step 3847, Epot=-2.386414e+05, Fnorm=2.808e+02, Fmax=1.540e+03 (atom 1774)
Step 3848, Epot=-2.386419e+05, Fnorm=2.824e+02, Fmax=2.000e+03 (atom 1330)
Step 3849, Epot=-2.386424e+05, Fnorm=2.820e+02, Fmax=1.533e+03 (atom 994)
Step 3850, Epot=-2.386429e+05, Fnorm=2.801e+02, Fmax=1.529e+03 (atom 5938)
Step 3851, Epot=-2.386433e+05, Fnorm=2.909e+02, Fmax=1.547e+03 (atom 5686)
Step 3852, Epot=-2.386440e+05, Fnorm=2.831e+02, Fmax=1.547e+03 (atom 5686)
Step 3853, Epot=-2.386445e+05, Fnorm=2.891e+02, Fmax=1.583e+03 (atom 5218)
Step 3854, Epot=-2.386451e+05, Fnorm=2.849e+02, Fmax=1.839e+03 (atom 2836)
Step 3855, Epot=-2.386458e+05, Fnorm=2.780e+02, Fmax=1.420e+03 (atom 5350)
Step 3856, Epot=-2.386463e+05, Fnorm=2.827e+02, Fmax=1.991e+03 (atom 2770)
Step 3857, Epot=-2.386469e+05, Fnorm=2.806e+02, Fmax=1.669e+03 (atom 3442)
Step 3858, Epot=-2.386474e+05, Fnorm=2.798e+02, Fmax=1.665e+03 (atom 5818)
Step 3859, Epot=-2.386480e+05, Fnorm=2.816e+02, Fmax=1.999e+03 (atom 3574)
Step 3860, Epot=-2.386485e+05, Fnorm=2.802e+02, Fmax=1.542e+03 (atom 3304)
Step 3861, Epot=-2.386490e+05, Fnorm=2.781e+02, Fmax=1.668e+03 (atom 3442)
Step 3862, Epot=-2.386495e+05, Fnorm=2.859e+02, Fmax=1.936e+03 (atom 1708)
Step 3863, Epot=-2.386500e+05, Fnorm=2.800e+02, Fmax=1.483e+03 (atom 4336)
Step 3864, Epot=-2.386505e+05, Fnorm=2.798e+02, Fmax=1.634e+03 (atom 916)
Step 3865, Epot=-2.386510e+05, Fnorm=2.868e+02, Fmax=2.052e+03 (atom 466)
Step 3866, Epot=-2.386516e+05, Fnorm=2.832e+02, Fmax=1.471e+03 (atom 5170)
Step 3867, Epot=-2.386287e+05, Fnorm=2.807e+02, Fmax=1.657e+03 (atom 6076)
Step 3868, Epot=-2.386292e+05, Fnorm=2.823e+02, Fmax=1.757e+03 (atom 4264)
Step 3869, Epot=-2.386298e+05, Fnorm=2.819e+02, Fmax=1.636e+03 (atom 5014)
Step 3870, Epot=-2.386302e+05, Fnorm=2.743e+02, Fmax=1.691e+03 (atom 1330)
Step 3871, Epot=-2.386307e+05, Fnorm=2.778e+02, Fmax=1.516e+03 (atom 2770)
Step 3872, Epot=-2.386313e+05, Fnorm=2.810e+02, Fmax=1.666e+03 (atom 3442)
Step 3873, Epot=-2.386318e+05, Fnorm=2.783e+02, Fmax=1.754e+03 (atom 370)
Step 3874, Epot=-2.386325e+05, Fnorm=2.852e+02, Fmax=1.656e+03 (atom 562)
Step 3875, Epot=-2.386330e+05, Fnorm=2.883e+02, Fmax=2.061e+03 (atom 2194)
Step 3876, Epot=-2.386335e+05, Fnorm=2.805e+02, Fmax=1.632e+03 (atom 1516)
Step 3877, Epot=-2.386340e+05, Fnorm=2.769e+02, Fmax=1.425e+03 (atom 1708)
Step 3878, Epot=-2.386345e+05, Fnorm=2.777e+02, Fmax=2.164e+03 (atom 1336)
Step 3879, Epot=-2.386350e+05, Fnorm=2.777e+02, Fmax=1.775e+03 (atom 5434)
Step 3880, Epot=-2.386354e+05, Fnorm=2.782e+02, Fmax=2.032e+03 (atom 4030)
Step 3881, Epot=-2.386359e+05, Fnorm=2.808e+02, Fmax=1.635e+03 (atom 1900)
Step 3882, Epot=-2.386364e+05, Fnorm=2.856e+02, Fmax=1.932e+03 (atom 1708)
Step 3883, Epot=-2.386370e+05, Fnorm=2.857e+02, Fmax=1.931e+03 (atom 1708)
Step 3884, Epot=-2.386375e+05, Fnorm=2.940e+02, Fmax=1.821e+03 (atom 3520)
Step 3885, Epot=-2.386380e+05, Fnorm=2.939e+02, Fmax=1.987e+03 (atom 3574)
Step 3886, Epot=-2.386385e+05, Fnorm=2.813e+02, Fmax=1.966e+03 (atom 2770)
Step 3887, Epot=-2.386390e+05, Fnorm=2.780e+02, Fmax=1.570e+03 (atom 4630)
Step 3888, Epot=-2.386395e+05, Fnorm=2.816e+02, Fmax=2.042e+03 (atom 4030)
Step 3889, Epot=-2.386399e+05, Fnorm=2.834e+02, Fmax=1.785e+03 (atom 5686)
Step 3890, Epot=-2.386405e+05, Fnorm=2.810e+02, Fmax=1.546e+03 (atom 1900)
Step 3891, Epot=-2.386410e+05, Fnorm=2.798e+02, Fmax=1.625e+03 (atom 5014)
Step 3892, Epot=-2.386415e+05, Fnorm=2.751e+02, Fmax=1.541e+03 (atom 3964)
Step 3893, Epot=-2.386420e+05, Fnorm=2.814e+02, Fmax=1.739e+03 (atom 1354)
Step 3894, Epot=-2.386424e+05, Fnorm=2.812e+02, Fmax=1.598e+03 (atom 3856)
Step 3895, Epot=-2.386429e+05, Fnorm=2.826e+02, Fmax=1.610e+03 (atom 4030)
Step 3896, Epot=-2.386434e+05, Fnorm=2.935e+02, Fmax=1.684e+03 (atom 2392)
Step 3897, Epot=-2.386439e+05, Fnorm=2.875e+02, Fmax=1.711e+03 (atom 4498)
Step 3898, Epot=-2.386444e+05, Fnorm=2.897e+02, Fmax=1.762e+03 (atom 5482)
Step 3899, Epot=-2.386449e+05, Fnorm=2.882e+02, Fmax=1.649e+03 (atom 3898)
Step 3900, Epot=-2.386454e+05, Fnorm=2.888e+02, Fmax=1.581e+03 (atom 5956)
Step 3901, Epot=-2.386459e+05, Fnorm=2.866e+02, Fmax=1.926e+03 (atom 1354)
Step 3902, Epot=-2.386464e+05, Fnorm=2.788e+02, Fmax=1.456e+03 (atom 4696)
Step 3903, Epot=-2.386469e+05, Fnorm=2.793e+02, Fmax=2.155e+03 (atom 2326)
Step 3904, Epot=-2.386474e+05, Fnorm=2.795e+02, Fmax=1.746e+03 (atom 5536)
Step 3905, Epot=-2.386479e+05, Fnorm=2.834e+02, Fmax=1.703e+03 (atom 4498)
Step 3906, Epot=-2.386484e+05, Fnorm=2.781e+02, Fmax=1.561e+03 (atom 3910)
Step 3907, Epot=-2.386489e+05, Fnorm=2.865e+02, Fmax=2.092e+03 (atom 4330)
Step 3908, Epot=-2.386494e+05, Fnorm=2.834e+02, Fmax=1.561e+03 (atom 5686)
Step 3909, Epot=-2.386498e+05, Fnorm=2.809e+02, Fmax=1.561e+03 (atom 5686)
Step 3910, Epot=-2.386503e+05, Fnorm=2.798e+02, Fmax=1.561e+03 (atom 3304)
Step 3911, Epot=-2.386509e+05, Fnorm=2.891e+02, Fmax=1.729e+03 (atom 4912)
Step 3912, Epot=-2.386514e+05, Fnorm=2.895e+02, Fmax=1.659e+03 (atom 3442)
Step 3913, Epot=-2.386519e+05, Fnorm=2.850e+02, Fmax=2.186e+03 (atom 4156)
Step 3914, Epot=-2.386524e+05, Fnorm=2.863e+02, Fmax=1.709e+03 (atom 3508)
Step 3915, Epot=-2.386529e+05, Fnorm=2.779e+02, Fmax=1.483e+03 (atom 2044)
Step 3916, Epot=-2.386534e+05, Fnorm=2.796e+02, Fmax=1.573e+03 (atom 1642)
Step 3917, Epot=-2.386540e+05, Fnorm=2.863e+02, Fmax=1.638e+03 (atom 3898)
Step 3918, Epot=-2.386545e+05, Fnorm=2.852e+02, Fmax=1.690e+03 (atom 4498)
Step 3919, Epot=-2.386549e+05, Fnorm=2.819e+02, Fmax=1.514e+03 (atom 2848)
Step 3920, Epot=-2.386555e+05, Fnorm=2.769e+02, Fmax=1.609e+03 (atom 658)
Step 3921, Epot=-2.386560e+05, Fnorm=2.861e+02, Fmax=1.881e+03 (atom 3970)
Step 3922, Epot=-2.386565e+05, Fnorm=2.868e+02, Fmax=1.751e+03 (atom 2770)
Step 3923, Epot=-2.386571e+05, Fnorm=2.825e+02, Fmax=1.518e+03 (atom 4756)
Step 3924, Epot=-2.386576e+05, Fnorm=2.849e+02, Fmax=1.978e+03 (atom 1330)
Step 3925, Epot=-2.386581e+05, Fnorm=2.741e+02, Fmax=1.643e+03 (atom 5290)
Step 3926, Epot=-2.386587e+05, Fnorm=2.804e+02, Fmax=1.862e+03 (atom 4264)
Step 3927, Epot=-2.386592e+05, Fnorm=2.852e+02, Fmax=1.819e+03 (atom 3676)
Step 3928, Epot=-2.386638e+05, Fnorm=2.852e+02, Fmax=1.640e+03 (atom 5014)
Step 3929, Epot=-2.386644e+05, Fnorm=2.877e+02, Fmax=1.849e+03 (atom 562)
Step 3930, Epot=-2.386649e+05, Fnorm=2.842e+02, Fmax=1.846e+03 (atom 562)
Step 3931, Epot=-2.386654e+05, Fnorm=2.821e+02, Fmax=1.847e+03 (atom 3898)
Step 3932, Epot=-2.386660e+05, Fnorm=2.773e+02, Fmax=1.827e+03 (atom 3520)
Step 3933, Epot=-2.386666e+05, Fnorm=2.860e+02, Fmax=2.088e+03 (atom 3376)
Step 3934, Epot=-2.386671e+05, Fnorm=2.845e+02, Fmax=1.574e+03 (atom 3910)
Step 3935, Epot=-2.386675e+05, Fnorm=2.818e+02, Fmax=1.787e+03 (atom 5434)
Step 3936, Epot=-2.386681e+05, Fnorm=2.823e+02, Fmax=2.118e+03 (atom 466)
Step 3937, Epot=-2.386686e+05, Fnorm=2.811e+02, Fmax=1.681e+03 (atom 4498)
Step 3938, Epot=-2.386691e+05, Fnorm=2.871e+02, Fmax=1.756e+03 (atom 2770)
Step 3939, Epot=-2.386696e+05, Fnorm=2.850e+02, Fmax=1.822e+03 (atom 3520)
Step 3940, Epot=-2.386701e+05, Fnorm=2.769e+02, Fmax=1.562e+03 (atom 5746)
Step 3941, Epot=-2.386706e+05, Fnorm=2.723e+02, Fmax=1.332e+03 (atom 2596)
Step 3942, Epot=-2.386712e+05, Fnorm=2.784e+02, Fmax=1.548e+03 (atom 664)
Step 3943, Epot=-2.386717e+05, Fnorm=2.852e+02, Fmax=1.820e+03 (atom 922)
Step 3944, Epot=-2.386723e+05, Fnorm=2.812e+02, Fmax=2.088e+03 (atom 2836)
Step 3945, Epot=-2.386728e+05, Fnorm=2.802e+02, Fmax=1.543e+03 (atom 5680)
Step 3946, Epot=-2.386733e+05, Fnorm=2.766e+02, Fmax=1.965e+03 (atom 4030)
Step 3947, Epot=-2.386739e+05, Fnorm=2.746e+02, Fmax=1.571e+03 (atom 6082)
Step 3948, Epot=-2.386744e+05, Fnorm=2.871e+02, Fmax=2.001e+03 (atom 334)
Step 3949, Epot=-2.386751e+05, Fnorm=2.858e+02, Fmax=1.831e+03 (atom 4264)
Step 3950, Epot=-2.386757e+05, Fnorm=2.849e+02, Fmax=1.688e+03 (atom 1336)
Step 3951, Epot=-2.386763e+05, Fnorm=2.860e+02, Fmax=1.576e+03 (atom 1642)
Step 3952, Epot=-2.386769e+05, Fnorm=2.875e+02, Fmax=1.659e+03 (atom 5494)
Step 3953, Epot=-2.386775e+05, Fnorm=2.773e+02, Fmax=1.804e+03 (atom 2968)
Step 3954, Epot=-2.386782e+05, Fnorm=2.767e+02, Fmax=1.460e+03 (atom 1402)
Step 3955, Epot=-2.386788e+05, Fnorm=2.873e+02, Fmax=1.653e+03 (atom 3442)
Step 3956, Epot=-2.386795e+05, Fnorm=2.871e+02, Fmax=1.653e+03 (atom 2038)
Step 3957, Epot=-2.386802e+05, Fnorm=2.906e+02, Fmax=1.823e+03 (atom 3520)
Step 3958, Epot=-2.386809e+05, Fnorm=2.849e+02, Fmax=1.536e+03 (atom 2044)
Step 3959, Epot=-2.386816e+05, Fnorm=2.833e+02, Fmax=1.974e+03 (atom 1708)
Step 3960, Epot=-2.386822e+05, Fnorm=2.813e+02, Fmax=1.673e+03 (atom 6076)
Step 3961, Epot=-2.386829e+05, Fnorm=2.798e+02, Fmax=1.562e+03 (atom 3310)
Step 3962, Epot=-2.386837e+05, Fnorm=2.959e+02, Fmax=2.031e+03 (atom 4564)
Step 3963, Epot=-2.386844e+05, Fnorm=2.942e+02, Fmax=1.611e+03 (atom 916)
Step 3964, Epot=-2.386851e+05, Fnorm=2.899e+02, Fmax=1.844e+03 (atom 562)
Step 3965, Epot=-2.386858e+05, Fnorm=2.923e+02, Fmax=1.800e+03 (atom 4264)
Step 3966, Epot=-2.386864e+05, Fnorm=2.815e+02, Fmax=1.655e+03 (atom 3442)
Step 3967, Epot=-2.386872e+05, Fnorm=2.768e+02, Fmax=1.751e+03 (atom 5536)
Step 3968, Epot=-2.386878e+05, Fnorm=2.843e+02, Fmax=1.631e+03 (atom 4996)
Step 3969, Epot=-2.386885e+05, Fnorm=2.827e+02, Fmax=1.987e+03 (atom 4030)
Step 3970, Epot=-2.386892e+05, Fnorm=2.910e+02, Fmax=1.607e+03 (atom 916)
Step 3971, Epot=-2.386899e+05, Fnorm=2.884e+02, Fmax=1.747e+03 (atom 994)
Step 3972, Epot=-2.386906e+05, Fnorm=2.851e+02, Fmax=2.149e+03 (atom 994)
Step 3973, Epot=-2.386912e+05, Fnorm=2.815e+02, Fmax=1.500e+03 (atom 3046)
Step 3974, Epot=-2.386919e+05, Fnorm=2.776e+02, Fmax=1.666e+03 (atom 5890)
Step 3975, Epot=-2.386924e+05, Fnorm=2.797e+02, Fmax=1.666e+03 (atom 5890)
Step 3976, Epot=-2.386931e+05, Fnorm=2.782e+02, Fmax=1.531e+03 (atom 5956)
Step 3977, Epot=-2.386937e+05, Fnorm=2.755e+02, Fmax=1.497e+03 (atom 5620)
Step 3978, Epot=-2.386942e+05, Fnorm=2.810e+02, Fmax=1.678e+03 (atom 4498)
Step 3979, Epot=-2.386948e+05, Fnorm=2.876e+02, Fmax=1.677e+03 (atom 4498)
Step 3980, Epot=-2.386954e+05, Fnorm=2.867e+02, Fmax=2.367e+03 (atom 3442)
Step 3981, Epot=-2.386960e+05, Fnorm=2.796e+02, Fmax=1.614e+03 (atom 6172)
Step 3982, Epot=-2.386966e+05, Fnorm=2.886e+02, Fmax=1.977e+03 (atom 1708)
Step 3983, Epot=-2.386972e+05, Fnorm=2.828e+02, Fmax=1.577e+03 (atom 826)
Step 3984, Epot=-2.386979e+05, Fnorm=2.836e+02, Fmax=1.578e+03 (atom 826)
Step 3985, Epot=-2.386984e+05, Fnorm=2.842e+02, Fmax=1.410e+03 (atom 4264)
Step 3986, Epot=-2.386989e+05, Fnorm=2.889e+02, Fmax=2.020e+03 (atom 4564)
Step 3987, Epot=-2.386995e+05, Fnorm=2.822e+02, Fmax=2.095e+03 (atom 3376)
Step 3988, Epot=-2.387001e+05, Fnorm=2.748e+02, Fmax=1.636e+03 (atom 436)
Step 3989, Epot=-2.387006e+05, Fnorm=2.785e+02, Fmax=1.771e+03 (atom 4264)
Step 3990, Epot=-2.387012e+05, Fnorm=2.842e+02, Fmax=1.872e+03 (atom 562)
Step 3991, Epot=-2.387018e+05, Fnorm=2.873e+02, Fmax=1.958e+03 (atom 5218)
Step 3992, Epot=-2.387023e+05, Fnorm=2.844e+02, Fmax=1.679e+03 (atom 2836)
Step 3993, Epot=-2.387029e+05, Fnorm=2.837e+02, Fmax=1.955e+03 (atom 3574)
Step 3994, Epot=-2.387035e+05, Fnorm=2.827e+02, Fmax=1.517e+03 (atom 4498)
Step 3995, Epot=-2.387041e+05, Fnorm=2.792e+02, Fmax=1.539e+03 (atom 3454)
Step 3996, Epot=-2.387048e+05, Fnorm=2.899e+02, Fmax=1.998e+03 (atom 4030)
Step 3997, Epot=-2.387054e+05, Fnorm=2.871e+02, Fmax=1.625e+03 (atom 6082)
Step 3998, Epot=-2.387061e+05, Fnorm=2.810e+02, Fmax=1.851e+03 (atom 1768)
Step 3999, Epot=-2.387067e+05, Fnorm=2.810e+02, Fmax=1.656e+03 (atom 370)
Step 4000, Epot=-2.387074e+05, Fnorm=2.892e+02, Fmax=1.717e+03 (atom 3310)
Step 4001, Epot=-2.387081e+05, Fnorm=2.878e+02, Fmax=1.547e+03 (atom 664)
Step 4002, Epot=-2.387088e+05, Fnorm=2.893e+02, Fmax=2.110e+03 (atom 466)
Step 4003, Epot=-2.387094e+05, Fnorm=2.835e+02, Fmax=1.656e+03 (atom 3442)
Step 4004, Epot=-2.387100e+05, Fnorm=2.856e+02, Fmax=1.656e+03 (atom 3442)
Step 4005, Epot=-2.387107e+05, Fnorm=2.821e+02, Fmax=1.829e+03 (atom 3520)
Step 4006, Epot=-2.387348e+05, Fnorm=2.915e+02, Fmax=1.968e+03 (atom 1708)
Step 4007, Epot=-2.387355e+05, Fnorm=2.838e+02, Fmax=1.737e+03 (atom 1768)
Step 4008, Epot=-2.387361e+05, Fnorm=2.751e+02, Fmax=1.613e+03 (atom 3856)
Step 4009, Epot=-2.387368e+05, Fnorm=2.828e+02, Fmax=1.901e+03 (atom 3970)
Step 4010, Epot=-2.387375e+05, Fnorm=2.794e+02, Fmax=1.849e+03 (atom 5014)
Step 4011, Epot=-2.387381e+05, Fnorm=2.812e+02, Fmax=2.117e+03 (atom 4498)
Step 4012, Epot=-2.387387e+05, Fnorm=2.843e+02, Fmax=1.833e+03 (atom 2836)
Step 4013, Epot=-2.387395e+05, Fnorm=2.853e+02, Fmax=2.148e+03 (atom 994)
Step 4014, Epot=-2.387401e+05, Fnorm=2.859e+02, Fmax=1.749e+03 (atom 436)
Step 4015, Epot=-2.387408e+05, Fnorm=2.797e+02, Fmax=2.447e+03 (atom 2770)
Step 4016, Epot=-2.387415e+05, Fnorm=2.839e+02, Fmax=2.069e+03 (atom 5218)
Step 4017, Epot=-2.387422e+05, Fnorm=2.804e+02, Fmax=1.636e+03 (atom 466)
Step 4018, Epot=-2.387429e+05, Fnorm=2.784e+02, Fmax=1.487e+03 (atom 5194)
Step 4019, Epot=-2.387437e+05, Fnorm=2.859e+02, Fmax=1.623e+03 (atom 2848)
Step 4020, Epot=-2.387445e+05, Fnorm=2.875e+02, Fmax=1.607e+03 (atom 4156)
Step 4021, Epot=-2.387453e+05, Fnorm=2.866e+02, Fmax=2.445e+03 (atom 3508)
Step 4022, Epot=-2.387462e+05, Fnorm=2.792e+02, Fmax=1.425e+03 (atom 928)
Step 4023, Epot=-2.387469e+05, Fnorm=2.793e+02, Fmax=1.603e+03 (atom 3856)
Step 4024, Epot=-2.387476e+05, Fnorm=2.815e+02, Fmax=1.483e+03 (atom 1774)
Step 4025, Epot=-2.387483e+05, Fnorm=2.870e+02, Fmax=1.629e+03 (atom 2848)
Step 4026, Epot=-2.387491e+05, Fnorm=2.766e+02, Fmax=1.503e+03 (atom 1900)
Step 4027, Epot=-2.387498e+05, Fnorm=2.832e+02, Fmax=2.159e+03 (atom 4156)
Step 4028, Epot=-2.387505e+05, Fnorm=2.873e+02, Fmax=1.637e+03 (atom 1330)
Step 4029, Epot=-2.387512e+05, Fnorm=2.778e+02, Fmax=1.527e+03 (atom 2770)
Step 4030, Epot=-2.387519e+05, Fnorm=2.831e+02, Fmax=1.654e+03 (atom 2038)
Step 4031, Epot=-2.387527e+05, Fnorm=2.792e+02, Fmax=1.654e+03 (atom 2038)
Step 4032, Epot=-2.387533e+05, Fnorm=2.776e+02, Fmax=2.075e+03 (atom 4564)
Step 4033, Epot=-2.387542e+05, Fnorm=2.868e+02, Fmax=1.654e+03 (atom 3442)
Step 4034, Epot=-2.387548e+05, Fnorm=2.822e+02, Fmax=1.761e+03 (atom 4264)
Step 4035, Epot=-2.387556e+05, Fnorm=2.860e+02, Fmax=1.721e+03 (atom 3508)
Step 4036, Epot=-2.387563e+05, Fnorm=2.812e+02, Fmax=1.626e+03 (atom 916)
Step 4037, Epot=-2.387570e+05, Fnorm=2.796e+02, Fmax=1.711e+03 (atom 4498)
Step 4038, Epot=-2.387576e+05, Fnorm=2.799e+02, Fmax=1.536e+03 (atom 5938)
Step 4039, Epot=-2.387583e+05, Fnorm=2.828e+02, Fmax=1.567e+03 (atom 5440)
Step 4040, Epot=-2.387589e+05, Fnorm=2.748e+02, Fmax=1.469e+03 (atom 2098)
Step 4041, Epot=-2.387597e+05, Fnorm=2.757e+02, Fmax=1.564e+03 (atom 3910)
Step 4042, Epot=-2.387603e+05, Fnorm=2.848e+02, Fmax=1.411e+03 (atom 5818)
Step 4043, Epot=-2.387611e+05, Fnorm=2.927e+02, Fmax=2.420e+03 (atom 2770)
Step 4044, Epot=-2.387619e+05, Fnorm=2.959e+02, Fmax=1.513e+03 (atom 3838)
Step 4045, Epot=-2.387627e+05, Fnorm=2.931e+02, Fmax=1.640e+03 (atom 6178)
Step 4046, Epot=-2.387635e+05, Fnorm=2.873e+02, Fmax=1.508e+03 (atom 466)
Step 4047, Epot=-2.387643e+05, Fnorm=2.870e+02, Fmax=1.599e+03 (atom 4156)
Step 4048, Epot=-2.387650e+05, Fnorm=2.832e+02, Fmax=1.584e+03 (atom 5608)
Step 4049, Epot=-2.387658e+05, Fnorm=2.820e+02, Fmax=2.161e+03 (atom 826)
Step 4050, Epot=-2.387666e+05, Fnorm=2.889e+02, Fmax=1.864e+03 (atom 826)
Step 4051, Epot=-2.387673e+05, Fnorm=2.914e+02, Fmax=1.644e+03 (atom 2596)
Step 4052, Epot=-2.387681e+05, Fnorm=2.847e+02, Fmax=2.148e+03 (atom 4498)
Step 4053, Epot=-2.387689e+05, Fnorm=2.817e+02, Fmax=1.414e+03 (atom 2974)
Step 4054, Epot=-2.387697e+05, Fnorm=2.899e+02, Fmax=1.647e+03 (atom 724)
Step 4055, Epot=-2.387705e+05, Fnorm=2.853e+02, Fmax=1.705e+03 (atom 3676)
Step 4056, Epot=-2.387713e+05, Fnorm=2.811e+02, Fmax=1.865e+03 (atom 1510)
Step 4057, Epot=-2.387721e+05, Fnorm=2.784e+02, Fmax=1.567e+03 (atom 586)
Step 4058, Epot=-2.387728e+05, Fnorm=2.830e+02, Fmax=1.655e+03 (atom 3442)
Step 4059, Epot=-2.387736e+05, Fnorm=2.828e+02, Fmax=1.609e+03 (atom 3856)
Step 4060, Epot=-2.387743e+05, Fnorm=2.797e+02, Fmax=1.608e+03 (atom 916)
Step 4061, Epot=-2.387752e+05, Fnorm=2.837e+02, Fmax=1.489e+03 (atom 4690)
Step 4062, Epot=-2.387760e+05, Fnorm=2.900e+02, Fmax=2.118e+03 (atom 4564)
Step 4063, Epot=-2.387769e+05, Fnorm=2.848e+02, Fmax=1.855e+03 (atom 1510)
Step 4064, Epot=-2.387778e+05, Fnorm=2.823e+02, Fmax=1.658e+03 (atom 3442)
Step 4065, Epot=-2.387786e+05, Fnorm=2.795e+02, Fmax=1.574e+03 (atom 3964)
Step 4066, Epot=-2.387793e+05, Fnorm=2.806e+02, Fmax=2.623e+03 (atom 3898)
Step 4067, Epot=-2.387801e+05, Fnorm=2.894e+02, Fmax=1.980e+03 (atom 1708)
Step 4068, Epot=-2.387809e+05, Fnorm=2.801e+02, Fmax=1.691e+03 (atom 5620)
Step 4069, Epot=-2.387816e+05, Fnorm=2.816e+02, Fmax=1.511e+03 (atom 3046)
Step 4070, Epot=-2.387824e+05, Fnorm=2.818e+02, Fmax=1.698e+03 (atom 2836)
Step 4071, Epot=-2.387832e+05, Fnorm=2.813e+02, Fmax=1.855e+03 (atom 826)
Step 4072, Epot=-2.387841e+05, Fnorm=2.808e+02, Fmax=2.134e+03 (atom 2038)
Step 4073, Epot=-2.387849e+05, Fnorm=2.875e+02, Fmax=1.491e+03 (atom 2044)
Step 4074, Epot=-2.387858e+05, Fnorm=2.868e+02, Fmax=1.973e+03 (atom 2770)
Step 4075, Epot=-2.387868e+05, Fnorm=2.811e+02, Fmax=1.641e+03 (atom 1330)
Step 4076, Epot=-2.387877e+05, Fnorm=2.803e+02, Fmax=1.665e+03 (atom 3856)
Step 4077, Epot=-2.387885e+05, Fnorm=2.754e+02, Fmax=1.559e+03 (atom 3964)
Step 4078, Epot=-2.387894e+05, Fnorm=2.788e+02, Fmax=1.819e+03 (atom 1510)
Step 4079, Epot=-2.387902e+05, Fnorm=2.799e+02, Fmax=1.534e+03 (atom 562)
Step 4080, Epot=-2.387909e+05, Fnorm=2.790e+02, Fmax=1.851e+03 (atom 826)
Step 4081, Epot=-2.387919e+05, Fnorm=2.810e+02, Fmax=1.595e+03 (atom 826)
Step 4082, Epot=-2.387926e+05, Fnorm=2.865e+02, Fmax=1.603e+03 (atom 2848)
Step 4083, Epot=-2.387935e+05, Fnorm=2.849e+02, Fmax=1.700e+03 (atom 3310)
Step 4084, Epot=-2.387943e+05, Fnorm=2.813e+02, Fmax=1.698e+03 (atom 5668)
Step 4085, Epot=-2.387952e+05, Fnorm=2.793e+02, Fmax=1.584e+03 (atom 5422)
Step 4086, Epot=-2.387960e+05, Fnorm=2.823e+02, Fmax=2.032e+03 (atom 4030)
Step 4087, Epot=-2.387968e+05, Fnorm=2.842e+02, Fmax=2.446e+03 (atom 3508)
Step 4088, Epot=-2.387976e+05, Fnorm=2.766e+02, Fmax=1.847e+03 (atom 826)
Step 4089, Epot=-2.387984e+05, Fnorm=2.840e+02, Fmax=1.586e+03 (atom 3934)
Step 4090, Epot=-2.387992e+05, Fnorm=2.846e+02, Fmax=1.547e+03 (atom 1330)
Step 4091, Epot=-2.387999e+05, Fnorm=2.856e+02, Fmax=1.647e+03 (atom 5494)
Step 4092, Epot=-2.388006e+05, Fnorm=2.894e+02, Fmax=1.525e+03 (atom 1900)
Step 4093, Epot=-2.388014e+05, Fnorm=2.823e+02, Fmax=1.644e+03 (atom 1504)
Step 4094, Epot=-2.388022e+05, Fnorm=2.820e+02, Fmax=1.642e+03 (atom 1354)
Step 4095, Epot=-2.388029e+05, Fnorm=2.830e+02, Fmax=2.018e+03 (atom 3574)
Step 4096, Epot=-2.388036e+05, Fnorm=2.771e+02, Fmax=1.615e+03 (atom 5956)
Step 4097, Epot=-2.388044e+05, Fnorm=2.921e+02, Fmax=1.794e+03 (atom 1510)
Step 4098, Epot=-2.388051e+05, Fnorm=2.923e+02, Fmax=2.355e+03 (atom 1774)
Step 4099, Epot=-2.388058e+05, Fnorm=2.918e+02, Fmax=1.631e+03 (atom 1642)
Step 4100, Epot=-2.388065e+05, Fnorm=2.868e+02, Fmax=1.632e+03 (atom 1642)
Step 4101, Epot=-2.388072e+05, Fnorm=2.816e+02, Fmax=1.830e+03 (atom 2038)
Step 4102, Epot=-2.388079e+05, Fnorm=2.788e+02, Fmax=1.602e+03 (atom 2038)
Step 4103, Epot=-2.388085e+05, Fnorm=2.834e+02, Fmax=1.617e+03 (atom 5440)
Step 4104, Epot=-2.388090e+05, Fnorm=2.853e+02, Fmax=1.702e+03 (atom 370)
Step 4105, Epot=-2.388096e+05, Fnorm=2.803e+02, Fmax=1.702e+03 (atom 370)
Step 4106, Epot=-2.388103e+05, Fnorm=2.776e+02, Fmax=1.746e+03 (atom 5482)
Step 4107, Epot=-2.388108e+05, Fnorm=2.782e+02, Fmax=2.101e+03 (atom 4564)
Step 4108, Epot=-2.388114e+05, Fnorm=2.754e+02, Fmax=1.585e+03 (atom 3310)
Step 4109, Epot=-2.388120e+05, Fnorm=2.853e+02, Fmax=1.495e+03 (atom 5698)
Step 4110, Epot=-2.388126e+05, Fnorm=2.817e+02, Fmax=1.655e+03 (atom 4006)
Step 4111, Epot=-2.388131e+05, Fnorm=2.826e+02, Fmax=1.876e+03 (atom 5680)
Step 4112, Epot=-2.388136e+05, Fnorm=2.815e+02, Fmax=1.600e+03 (atom 3856)
Step 4113, Epot=-2.388142e+05, Fnorm=2.808e+02, Fmax=1.659e+03 (atom 3310)
Step 4114, Epot=-2.388147e+05, Fnorm=2.880e+02, Fmax=1.571e+03 (atom 3310)
Step 4115, Epot=-2.388153e+05, Fnorm=2.780e+02, Fmax=1.590e+03 (atom 5164)
Step 4116, Epot=-2.388158e+05, Fnorm=2.788e+02, Fmax=1.665e+03 (atom 3310)
Step 4117, Epot=-2.388162e+05, Fnorm=2.810e+02, Fmax=1.714e+03 (atom 370)
Step 4118, Epot=-2.388167e+05, Fnorm=2.827e+02, Fmax=1.993e+03 (atom 2770)
Step 4119, Epot=-2.388173e+05, Fnorm=2.886e+02, Fmax=1.874e+03 (atom 5680)
Step 4120, Epot=-2.388179e+05, Fnorm=2.870e+02, Fmax=1.640e+03 (atom 4156)
Step 4121, Epot=-2.388185e+05, Fnorm=2.858e+02, Fmax=1.793e+03 (atom 3676)
Step 4122, Epot=-2.388190e+05, Fnorm=2.789e+02, Fmax=1.973e+03 (atom 1708)
Step 4123, Epot=-2.388196e+05, Fnorm=2.797e+02, Fmax=1.492e+03 (atom 2392)
Step 4124, Epot=-2.388202e+05, Fnorm=2.884e+02, Fmax=1.725e+03 (atom 5482)
Step 4125, Epot=-2.388207e+05, Fnorm=2.874e+02, Fmax=1.790e+03 (atom 1768)
Step 4126, Epot=-2.388213e+05, Fnorm=2.863e+02, Fmax=1.725e+03 (atom 1330)
Step 4127, Epot=-2.388219e+05, Fnorm=2.904e+02, Fmax=1.663e+03 (atom 3442)
Step 4128, Epot=-2.388225e+05, Fnorm=2.834e+02, Fmax=1.859e+03 (atom 4402)
Step 4129, Epot=-2.388231e+05, Fnorm=2.818e+02, Fmax=1.616e+03 (atom 1330)
Step 4130, Epot=-2.388238e+05, Fnorm=2.813e+02, Fmax=1.328e+03 (atom 5944)
Step 4131, Epot=-2.388244e+05, Fnorm=2.839e+02, Fmax=1.594e+03 (atom 3934)
Step 4132, Epot=-2.388250e+05, Fnorm=2.803e+02, Fmax=2.260e+03 (atom 4696)
Step 4133, Epot=-2.388257e+05, Fnorm=2.802e+02, Fmax=1.716e+03 (atom 4498)
Step 4134, Epot=-2.388263e+05, Fnorm=2.870e+02, Fmax=1.569e+03 (atom 826)
Step 4135, Epot=-2.388269e+05, Fnorm=2.827e+02, Fmax=1.821e+03 (atom 2836)
Step 4136, Epot=-2.388275e+05, Fnorm=2.836e+02, Fmax=1.648e+03 (atom 1780)
Step 4137, Epot=-2.388280e+05, Fnorm=2.789e+02, Fmax=1.454e+03 (atom 1708)
Step 4138, Epot=-2.388287e+05, Fnorm=2.866e+02, Fmax=1.552e+03 (atom 598)
Step 4139, Epot=-2.388293e+05, Fnorm=2.903e+02, Fmax=1.517e+03 (atom 1906)
Step 4140, Epot=-2.388298e+05, Fnorm=2.799e+02, Fmax=2.049e+03 (atom 4030)
Step 4141, Epot=-2.388304e+05, Fnorm=2.777e+02, Fmax=2.104e+03 (atom 4330)
Step 4142, Epot=-2.388310e+05, Fnorm=2.814e+02, Fmax=2.146e+03 (atom 4498)
Step 4143, Epot=-2.388317e+05, Fnorm=2.858e+02, Fmax=1.618e+03 (atom 658)
Step 4144, Epot=-2.388322e+05, Fnorm=2.837e+02, Fmax=2.140e+03 (atom 5944)
Step 4145, Epot=-2.388328e+05, Fnorm=2.816e+02, Fmax=1.535e+03 (atom 2710)
Step 4146, Epot=-2.388334e+05, Fnorm=2.772e+02, Fmax=1.488e+03 (atom 4696)
Step 4147, Epot=-2.388340e+05, Fnorm=2.811e+02, Fmax=1.741e+03 (atom 586)
Step 4148, Epot=-2.388346e+05, Fnorm=2.788e+02, Fmax=1.638e+03 (atom 2596)
Step 4149, Epot=-2.388352e+05, Fnorm=2.797e+02, Fmax=1.538e+03 (atom 586)
Step 4150, Epot=-2.388357e+05, Fnorm=2.838e+02, Fmax=1.688e+03 (atom 436)
Step 4151, Epot=-2.388364e+05, Fnorm=2.816e+02, Fmax=1.955e+03 (atom 1708)
Step 4152, Epot=-2.388370e+05, Fnorm=2.801e+02, Fmax=1.540e+03 (atom 5350)
Step 4153, Epot=-2.388376e+05, Fnorm=2.761e+02, Fmax=1.805e+03 (atom 922)
Step 4154, Epot=-2.388382e+05, Fnorm=2.816e+02, Fmax=1.849e+03 (atom 4264)
Step 4155, Epot=-2.388388e+05, Fnorm=2.789e+02, Fmax=1.727e+03 (atom 1516)
Step 4156, Epot=-2.388395e+05, Fnorm=2.821e+02, Fmax=1.653e+03 (atom 2836)
Step 4157, Epot=-2.388401e+05, Fnorm=2.842e+02, Fmax=2.376e+03 (atom 3442)
Step 4158, Epot=-2.388406e+05, Fnorm=2.826e+02, Fmax=1.730e+03 (atom 1354)
Step 4159, Epot=-2.388412e+05, Fnorm=2.798e+02, Fmax=1.513e+03 (atom 3448)
Step 4160, Epot=-2.388417e+05, Fnorm=2.810e+02, Fmax=1.688e+03 (atom 1504)
Step 4161, Epot=-2.388422e+05, Fnorm=2.802e+02, Fmax=1.607e+03 (atom 466)
Step 4162, Epot=-2.388429e+05, Fnorm=2.857e+02, Fmax=1.833e+03 (atom 1510)
Step 4163, Epot=-2.388434e+05, Fnorm=2.891e+02, Fmax=1.626e+03 (atom 916)
Step 4164, Epot=-2.388440e+05, Fnorm=2.796e+02, Fmax=1.680e+03 (atom 436)
Step 4165, Epot=-2.388445e+05, Fnorm=2.761e+02, Fmax=2.103e+03 (atom 3376)
Step 4166, Epot=-2.388450e+05, Fnorm=2.827e+02, Fmax=1.725e+03 (atom 1354)
Step 4167, Epot=-2.388454e+05, Fnorm=2.768e+02, Fmax=1.456e+03 (atom 2098)
Step 4168, Epot=-2.388460e+05, Fnorm=2.736e+02, Fmax=1.575e+03 (atom 5938)
Step 4169, Epot=-2.388464e+05, Fnorm=2.830e+02, Fmax=1.847e+03 (atom 3520)
Step 4170, Epot=-2.388469e+05, Fnorm=2.823e+02, Fmax=1.632e+03 (atom 2596)
Step 4171, Epot=-2.388474e+05, Fnorm=2.838e+02, Fmax=2.368e+03 (atom 3442)
Step 4172, Epot=-2.388480e+05, Fnorm=2.925e+02, Fmax=2.054e+03 (atom 5218)
Step 4173, Epot=-2.388486e+05, Fnorm=2.936e+02, Fmax=1.679e+03 (atom 5056)
Step 4174, Epot=-2.388491e+05, Fnorm=2.834e+02, Fmax=1.678e+03 (atom 5056)
Step 4175, Epot=-2.388497e+05, Fnorm=2.827e+02, Fmax=2.019e+03 (atom 4030)
Step 4176, Epot=-2.388502e+05, Fnorm=2.810e+02, Fmax=1.914e+03 (atom 1354)
Step 4177, Epot=-2.388509e+05, Fnorm=2.836e+02, Fmax=1.540e+03 (atom 3724)
Step 4178, Epot=-2.388515e+05, Fnorm=2.858e+02, Fmax=1.805e+03 (atom 2770)
Step 4179, Epot=-2.388521e+05, Fnorm=2.925e+02, Fmax=1.812e+03 (atom 2854)
Step 4180, Epot=-2.388528e+05, Fnorm=2.759e+02, Fmax=1.449e+03 (atom 5224)
Step 4181, Epot=-2.388533e+05, Fnorm=2.822e+02, Fmax=1.664e+03 (atom 3310)
Step 4182, Epot=-2.388539e+05, Fnorm=2.835e+02, Fmax=1.599e+03 (atom 6082)
Step 4183, Epot=-2.388546e+05, Fnorm=2.865e+02, Fmax=1.723e+03 (atom 3310)
Step 4184, Epot=-2.388553e+05, Fnorm=2.864e+02, Fmax=1.565e+03 (atom 4630)
Step 4185, Epot=-2.388560e+05, Fnorm=2.860e+02, Fmax=1.609e+03 (atom 1330)
Step 4186, Epot=-2.388567e+05, Fnorm=2.868e+02, Fmax=1.632e+03 (atom 2596)
Step 4187, Epot=-2.388574e+05, Fnorm=2.891e+02, Fmax=2.107e+03 (atom 4330)
Step 4188, Epot=-2.388582e+05, Fnorm=2.806e+02, Fmax=1.698e+03 (atom 4498)
Step 4189, Epot=-2.388589e+05, Fnorm=2.807e+02, Fmax=1.523e+03 (atom 6064)
Step 4190, Epot=-2.388596e+05, Fnorm=2.808e+02, Fmax=1.471e+03 (atom 6076)
Step 4191, Epot=-2.388602e+05, Fnorm=2.832e+02, Fmax=1.830e+03 (atom 4264)
Step 4192, Epot=-2.388609e+05, Fnorm=2.806e+02, Fmax=1.626e+03 (atom 916)
Step 4193, Epot=-2.388616e+05, Fnorm=2.881e+02, Fmax=1.819e+03 (atom 5014)
Step 4194, Epot=-2.388623e+05, Fnorm=2.829e+02, Fmax=1.694e+03 (atom 4498)
Step 4195, Epot=-2.388629e+05, Fnorm=2.861e+02, Fmax=1.676e+03 (atom 3088)
Step 4196, Epot=-2.388636e+05, Fnorm=2.788e+02, Fmax=1.694e+03 (atom 4498)
Step 4197, Epot=-2.388642e+05, Fnorm=2.756e+02, Fmax=1.524e+03 (atom 3910)
Step 4198, Epot=-2.388647e+05, Fnorm=2.762e+02, Fmax=1.638e+03 (atom 3442)
Step 4199, Epot=-2.388654e+05, Fnorm=2.823e+02, Fmax=1.628e+03 (atom 4156)
Step 4200, Epot=-2.388660e+05, Fnorm=2.859e+02, Fmax=1.602e+03 (atom 5428)
Step 4201, Epot=-2.388665e+05, Fnorm=2.823e+02, Fmax=1.957e+03 (atom 3316)
Step 4202, Epot=-2.388671e+05, Fnorm=2.816e+02, Fmax=1.816e+03 (atom 3316)
Step 4203, Epot=-2.388677e+05, Fnorm=2.742e+02, Fmax=1.629e+03 (atom 3310)
Step 4204, Epot=-2.388682e+05, Fnorm=2.774e+02, Fmax=1.553e+03 (atom 4984)
Step 4205, Epot=-2.388687e+05, Fnorm=2.853e+02, Fmax=1.554e+03 (atom 4984)
Step 4206, Epot=-2.388693e+05, Fnorm=2.834e+02, Fmax=1.824e+03 (atom 4264)
Step 4207, Epot=-2.388699e+05, Fnorm=2.799e+02, Fmax=1.475e+03 (atom 2710)
Step 4208, Epot=-2.388705e+05, Fnorm=2.888e+02, Fmax=2.141e+03 (atom 4564)
Step 4209, Epot=-2.388711e+05, Fnorm=2.847e+02, Fmax=1.960e+03 (atom 3316)
Step 4210, Epot=-2.388715e+05, Fnorm=2.796e+02, Fmax=1.969e+03 (atom 1708)
Step 4211, Epot=-2.388720e+05, Fnorm=2.806e+02, Fmax=1.519e+03 (atom 334)
Step 4212, Epot=-2.388726e+05, Fnorm=2.742e+02, Fmax=1.889e+03 (atom 3898)
Step 4213, Epot=-2.388731e+05, Fnorm=2.898e+02, Fmax=2.358e+03 (atom 3442)
Step 4214, Epot=-2.388736e+05, Fnorm=2.816e+02, Fmax=1.628e+03 (atom 6076)
Step 4215, Epot=-2.388741e+05, Fnorm=2.835e+02, Fmax=1.970e+03 (atom 1708)
Step 4216, Epot=-2.388746e+05, Fnorm=2.874e+02, Fmax=1.561e+03 (atom 2038)
Step 4217, Epot=-2.388751e+05, Fnorm=2.836e+02, Fmax=2.125e+03 (atom 4498)
Step 4218, Epot=-2.388756e+05, Fnorm=2.778e+02, Fmax=2.023e+03 (atom 1330)
Step 4219, Epot=-2.388762e+05, Fnorm=2.763e+02, Fmax=2.024e+03 (atom 1330)
Step 4220, Epot=-2.388766e+05, Fnorm=2.826e+02, Fmax=1.806e+03 (atom 4264)
Step 4221, Epot=-2.388772e+05, Fnorm=2.867e+02, Fmax=2.142e+03 (atom 4564)
Step 4222, Epot=-2.388777e+05, Fnorm=2.830e+02, Fmax=1.673e+03 (atom 2038)
Step 4223, Epot=-2.388783e+05, Fnorm=2.854e+02, Fmax=1.970e+03 (atom 1708)
Step 4224, Epot=-2.388788e+05, Fnorm=2.837e+02, Fmax=1.836e+03 (atom 3724)
Step 4225, Epot=-2.388793e+05, Fnorm=2.777e+02, Fmax=1.690e+03 (atom 4498)
Step 4226, Epot=-2.388798e+05, Fnorm=2.771e+02, Fmax=1.629e+03 (atom 3310)
Step 4227, Epot=-2.388804e+05, Fnorm=2.858e+02, Fmax=1.688e+03 (atom 4156)
Step 4228, Epot=-2.388809e+05, Fnorm=2.874e+02, Fmax=1.688e+03 (atom 4156)
Step 4229, Epot=-2.388815e+05, Fnorm=2.835e+02, Fmax=1.542e+03 (atom 1516)
Step 4230, Epot=-2.388820e+05, Fnorm=2.832e+02, Fmax=1.623e+03 (atom 3310)
Step 4231, Epot=-2.388826e+05, Fnorm=2.870e+02, Fmax=1.970e+03 (atom 1708)
Step 4232, Epot=-2.388832e+05, Fnorm=2.861e+02, Fmax=1.619e+03 (atom 3310)
Step 4233, Epot=-2.388837e+05, Fnorm=2.817e+02, Fmax=1.616e+03 (atom 3310)
Step 4234, Epot=-2.388843e+05, Fnorm=2.834e+02, Fmax=1.682e+03 (atom 3088)
Step 4235, Epot=-2.388849e+05, Fnorm=2.859e+02, Fmax=1.913e+03 (atom 562)
Step 4236, Epot=-2.388855e+05, Fnorm=2.822e+02, Fmax=1.622e+03 (atom 4156)
Step 4237, Epot=-2.388861e+05, Fnorm=2.950e+02, Fmax=2.025e+03 (atom 1330)
Step 4238, Epot=-2.388868e+05, Fnorm=2.934e+02, Fmax=1.833e+03 (atom 4402)
Step 4239, Epot=-2.388874e+05, Fnorm=2.875e+02, Fmax=2.129e+03 (atom 4498)
Step 4240, Epot=-2.388882e+05, Fnorm=2.797e+02, Fmax=1.695e+03 (atom 4498)
Step 4241, Epot=-2.388888e+05, Fnorm=2.798e+02, Fmax=1.979e+03 (atom 6226)
Step 4242, Epot=-2.388894e+05, Fnorm=2.867e+02, Fmax=1.980e+03 (atom 6226)
Step 4243, Epot=-2.388900e+05, Fnorm=2.836e+02, Fmax=2.127e+03 (atom 5944)
Step 4244, Epot=-2.388905e+05, Fnorm=2.871e+02, Fmax=1.683e+03 (atom 3310)
Step 4245, Epot=-2.388912e+05, Fnorm=2.824e+02, Fmax=1.696e+03 (atom 4498)
Step 4246, Epot=-2.388918e+05, Fnorm=2.794e+02, Fmax=1.844e+03 (atom 2836)
Step 4247, Epot=-2.388924e+05, Fnorm=2.783e+02, Fmax=1.691e+03 (atom 370)
Step 4248, Epot=-2.388930e+05, Fnorm=2.784e+02, Fmax=1.670e+03 (atom 436)
Step 4249, Epot=-2.388935e+05, Fnorm=2.862e+02, Fmax=1.690e+03 (atom 5338)
Step 4250, Epot=-2.388941e+05, Fnorm=2.785e+02, Fmax=1.737e+03 (atom 1330)
Step 4251, Epot=-2.388948e+05, Fnorm=2.842e+02, Fmax=1.739e+03 (atom 1330)
Step 4252, Epot=-2.388954e+05, Fnorm=2.795e+02, Fmax=1.561e+03 (atom 1774)
Step 4253, Epot=-2.388960e+05, Fnorm=2.774e+02, Fmax=1.665e+03 (atom 3898)
Step 4254, Epot=-2.388967e+05, Fnorm=2.834e+02, Fmax=2.121e+03 (atom 2836)
Step 4255, Epot=-2.388973e+05, Fnorm=2.901e+02, Fmax=1.668e+03 (atom 3310)
Step 4256, Epot=-2.388980e+05, Fnorm=2.802e+02, Fmax=1.541e+03 (atom 2044)
Step 4257, Epot=-2.388986e+05, Fnorm=2.848e+02, Fmax=1.590e+03 (atom 916)
Step 4258, Epot=-2.388993e+05, Fnorm=2.782e+02, Fmax=1.655e+03 (atom 3310)
Step 4259, Epot=-2.389000e+05, Fnorm=2.804e+02, Fmax=1.608e+03 (atom 724)
Step 4260, Epot=-2.389006e+05, Fnorm=2.854e+02, Fmax=2.556e+03 (atom 5944)
Step 4261, Epot=-2.389013e+05, Fnorm=2.814e+02, Fmax=1.635e+03 (atom 1504)
Step 4262, Epot=-2.389019e+05, Fnorm=2.844e+02, Fmax=1.594e+03 (atom 2038)
Step 4263, Epot=-2.389026e+05, Fnorm=2.886e+02, Fmax=1.681e+03 (atom 5956)
Step 4264, Epot=-2.389033e+05, Fnorm=2.826e+02, Fmax=1.646e+03 (atom 3310)
Step 4265, Epot=-2.389040e+05, Fnorm=2.792e+02, Fmax=1.507e+03 (atom 466)
Step 4266, Epot=-2.389047e+05, Fnorm=2.813e+02, Fmax=2.100e+03 (atom 466)
Step 4267, Epot=-2.389054e+05, Fnorm=2.800e+02, Fmax=1.664e+03 (atom 3442)
Step 4268, Epot=-2.389060e+05, Fnorm=2.823e+02, Fmax=1.828e+03 (atom 1510)
Step 4269, Epot=-2.389067e+05, Fnorm=2.812e+02, Fmax=1.684e+03 (atom 5338)
Step 4270, Epot=-2.389073e+05, Fnorm=2.846e+02, Fmax=1.833e+03 (atom 5434)
Step 4271, Epot=-2.389079e+05, Fnorm=2.850e+02, Fmax=1.554e+03 (atom 5434)
Step 4272, Epot=-2.389084e+05, Fnorm=2.881e+02, Fmax=1.667e+03 (atom 2392)
Step 4273, Epot=-2.389091e+05, Fnorm=2.838e+02, Fmax=1.667e+03 (atom 2392)
Step 4274, Epot=-2.389097e+05, Fnorm=2.812e+02, Fmax=2.164e+03 (atom 4156)
Step 4275, Epot=-2.389102e+05, Fnorm=2.794e+02, Fmax=2.053e+03 (atom 3376)
Step 4276, Epot=-2.389108e+05, Fnorm=2.803e+02, Fmax=1.583e+03 (atom 4030)
Step 4277, Epot=-2.389113e+05, Fnorm=2.906e+02, Fmax=1.997e+03 (atom 4030)
Step 4278, Epot=-2.389119e+05, Fnorm=2.867e+02, Fmax=2.129e+03 (atom 2836)
Step 4279, Epot=-2.389125e+05, Fnorm=2.835e+02, Fmax=1.819e+03 (atom 562)
Step 4280, Epot=-2.389130e+05, Fnorm=2.788e+02, Fmax=1.819e+03 (atom 562)
Step 4281, Epot=-2.389135e+05, Fnorm=2.753e+02, Fmax=1.529e+03 (atom 2044)
Step 4282, Epot=-2.389139e+05, Fnorm=2.679e+02, Fmax=1.436e+03 (atom 4756)
Step 4283, Epot=-2.389144e+05, Fnorm=2.791e+02, Fmax=1.827e+03 (atom 1510)
Step 4284, Epot=-2.389148e+05, Fnorm=2.829e+02, Fmax=1.714e+03 (atom 370)
Step 4285, Epot=-2.389153e+05, Fnorm=2.812e+02, Fmax=1.524e+03 (atom 1906)
Step 4286, Epot=-2.389157e+05, Fnorm=2.934e+02, Fmax=2.429e+03 (atom 2770)
Step 4287, Epot=-2.389162e+05, Fnorm=2.842e+02, Fmax=1.661e+03 (atom 436)
Step 4288, Epot=-2.389166e+05, Fnorm=2.737e+02, Fmax=1.793e+03 (atom 5482)
Step 4289, Epot=-2.389170e+05, Fnorm=2.806e+02, Fmax=2.149e+03 (atom 4498)
Step 4290, Epot=-2.389175e+05, Fnorm=2.783e+02, Fmax=1.670e+03 (atom 3442)
Step 4291, Epot=-2.389179e+05, Fnorm=2.782e+02, Fmax=1.837e+03 (atom 1516)
Step 4292, Epot=-2.389184e+05, Fnorm=2.870e+02, Fmax=1.699e+03 (atom 3310)
Step 4293, Epot=-2.389188e+05, Fnorm=2.814e+02, Fmax=1.736e+03 (atom 664)
Step 4294, Epot=-2.389192e+05, Fnorm=2.750e+02, Fmax=1.754e+03 (atom 2326)
Step 4295, Epot=-2.389197e+05, Fnorm=2.861e+02, Fmax=1.859e+03 (atom 2836)
Step 4296, Epot=-2.389200e+05, Fnorm=2.775e+02, Fmax=1.592e+03 (atom 1642)
Step 4297, Epot=-2.389204e+05, Fnorm=2.781e+02, Fmax=1.349e+03 (atom 5008)
Step 4298, Epot=-2.389208e+05, Fnorm=2.823e+02, Fmax=2.211e+03 (atom 4696)
Step 4299, Epot=-2.389212e+05, Fnorm=2.875e+02, Fmax=2.095e+03 (atom 1330)
Step 4300, Epot=-2.389216e+05, Fnorm=2.852e+02, Fmax=2.094e+03 (atom 1330)
Step 4301, Epot=-2.389221e+05, Fnorm=2.852e+02, Fmax=1.605e+03 (atom 6178)
Step 4302, Epot=-2.389224e+05, Fnorm=2.814e+02, Fmax=1.446e+03 (atom 2098)
Step 4303, Epot=-2.389229e+05, Fnorm=2.796e+02, Fmax=1.550e+03 (atom 586)
Step 4304, Epot=-2.389233e+05, Fnorm=2.855e+02, Fmax=1.692e+03 (atom 3310)
Step 4305, Epot=-2.389238e+05, Fnorm=2.810e+02, Fmax=2.598e+03 (atom 2836)
Step 4306, Epot=-2.389242e+05, Fnorm=2.847e+02, Fmax=2.022e+03 (atom 4030)
Step 4307, Epot=-2.389246e+05, Fnorm=2.841e+02, Fmax=1.753e+03 (atom 4264)
Step 4308, Epot=-2.389250e+05, Fnorm=2.823e+02, Fmax=1.519e+03 (atom 2392)
Step 4309, Epot=-2.389254e+05, Fnorm=2.805e+02, Fmax=1.518e+03 (atom 2392)
Step 4310, Epot=-2.389259e+05, Fnorm=2.829e+02, Fmax=1.652e+03 (atom 436)
Step 4311, Epot=-2.389264e+05, Fnorm=2.778e+02, Fmax=1.506e+03 (atom 3910)
Step 4312, Epot=-2.389268e+05, Fnorm=2.873e+02, Fmax=1.669e+03 (atom 3310)
Step 4313, Epot=-2.389272e+05, Fnorm=2.785e+02, Fmax=1.557e+03 (atom 3934)
Step 4314, Epot=-2.389277e+05, Fnorm=2.853e+02, Fmax=1.564e+03 (atom 3970)
Step 4315, Epot=-2.389282e+05, Fnorm=2.779e+02, Fmax=1.633e+03 (atom 4630)
Step 4316, Epot=-2.389286e+05, Fnorm=2.828e+02, Fmax=1.842e+03 (atom 5944)
Step 4317, Epot=-2.389290e+05, Fnorm=2.834e+02, Fmax=1.842e+03 (atom 5944)
Step 4318, Epot=-2.389295e+05, Fnorm=2.842e+02, Fmax=1.717e+03 (atom 1774)
Step 4319, Epot=-2.389300e+05, Fnorm=2.907e+02, Fmax=2.084e+03 (atom 4330)
Step 4320, Epot=-2.389304e+05, Fnorm=2.835e+02, Fmax=1.735e+03 (atom 1336)
Step 4321, Epot=-2.389310e+05, Fnorm=2.810e+02, Fmax=1.734e+03 (atom 1336)
Step 4322, Epot=-2.389314e+05, Fnorm=2.889e+02, Fmax=2.098e+03 (atom 2038)
Step 4323, Epot=-2.389319e+05, Fnorm=2.862e+02, Fmax=1.693e+03 (atom 3310)
Step 4324, Epot=-2.389324e+05, Fnorm=2.788e+02, Fmax=1.695e+03 (atom 3310)
Step 4325, Epot=-2.389329e+05, Fnorm=2.833e+02, Fmax=1.712e+03 (atom 5686)
Step 4326, Epot=-2.389333e+05, Fnorm=2.787e+02, Fmax=1.474e+03 (atom 2044)
Step 4327, Epot=-2.389339e+05, Fnorm=2.792e+02, Fmax=2.029e+03 (atom 1330)
Step 4328, Epot=-2.389342e+05, Fnorm=2.869e+02, Fmax=1.417e+03 (atom 1576)
Step 4329, Epot=-2.389347e+05, Fnorm=2.864e+02, Fmax=1.643e+03 (atom 436)
Step 4330, Epot=-2.389351e+05, Fnorm=2.807e+02, Fmax=1.813e+03 (atom 1510)
Step 4331, Epot=-2.389356e+05, Fnorm=2.734e+02, Fmax=1.507e+03 (atom 6064)
Step 4332, Epot=-2.389360e+05, Fnorm=2.765e+02, Fmax=1.667e+03 (atom 3442)
Step 4333, Epot=-2.389365e+05, Fnorm=2.865e+02, Fmax=1.584e+03 (atom 2038)
Step 4334, Epot=-2.389370e+05, Fnorm=2.839e+02, Fmax=2.105e+03 (atom 5944)
Step 4335, Epot=-2.389374e+05, Fnorm=2.826e+02, Fmax=1.490e+03 (atom 3304)
Step 4336, Epot=-2.389379e+05, Fnorm=2.800e+02, Fmax=1.493e+03 (atom 3910)
Step 4337, Epot=-2.389383e+05, Fnorm=2.831e+02, Fmax=1.761e+03 (atom 586)
Step 4338, Epot=-2.389388e+05, Fnorm=2.803e+02, Fmax=1.531e+03 (atom 5434)
Step 4339, Epot=-2.389392e+05, Fnorm=2.839e+02, Fmax=1.575e+03 (atom 4498)
Step 4340, Epot=-2.389398e+05, Fnorm=2.856e+02, Fmax=2.099e+03 (atom 994)
Step 4341, Epot=-2.389403e+05, Fnorm=2.820e+02, Fmax=1.770e+03 (atom 4264)
Step 4342, Epot=-2.389407e+05, Fnorm=2.812e+02, Fmax=1.936e+03 (atom 1708)
Step 4343, Epot=-2.389412e+05, Fnorm=2.771e+02, Fmax=2.101e+03 (atom 4564)
Step 4344, Epot=-2.389416e+05, Fnorm=2.793e+02, Fmax=1.536e+03 (atom 5938)
Step 4345, Epot=-2.389420e+05, Fnorm=2.787e+02, Fmax=1.580e+03 (atom 5938)
Step 4346, Epot=-2.389425e+05, Fnorm=2.833e+02, Fmax=1.426e+03 (atom 4264)
Step 4347, Epot=-2.389430e+05, Fnorm=2.887e+02, Fmax=1.440e+03 (atom 4696)
Step 4348, Epot=-2.389434e+05, Fnorm=2.872e+02, Fmax=1.498e+03 (atom 2230)
Step 4349, Epot=-2.389440e+05, Fnorm=2.891e+02, Fmax=1.640e+03 (atom 436)
Step 4350, Epot=-2.389445e+05, Fnorm=2.855e+02, Fmax=1.616e+03 (atom 4630)
Step 4351, Epot=-2.389450e+05, Fnorm=2.821e+02, Fmax=1.899e+03 (atom 2968)
Step 4352, Epot=-2.389457e+05, Fnorm=2.814e+02, Fmax=2.015e+03 (atom 1330)
Step 4353, Epot=-2.389462e+05, Fnorm=2.823e+02, Fmax=1.688e+03 (atom 2038)
Step 4354, Epot=-2.389467e+05, Fnorm=2.809e+02, Fmax=1.526e+03 (atom 3448)
Step 4355, Epot=-2.389473e+05, Fnorm=2.826e+02, Fmax=1.664e+03 (atom 334)
Step 4356, Epot=-2.389479e+05, Fnorm=2.820e+02, Fmax=1.442e+03 (atom 5818)
Step 4357, Epot=-2.389484e+05, Fnorm=2.872e+02, Fmax=1.759e+03 (atom 5686)
Step 4358, Epot=-2.389490e+05, Fnorm=2.811e+02, Fmax=1.759e+03 (atom 5686)
Step 4359, Epot=-2.389496e+05, Fnorm=2.865e+02, Fmax=1.493e+03 (atom 1126)
Step 4360, Epot=-2.389502e+05, Fnorm=2.819e+02, Fmax=1.482e+03 (atom 520)
Step 4361, Epot=-2.389508e+05, Fnorm=2.834e+02, Fmax=2.095e+03 (atom 4564)
Step 4362, Epot=-2.389513e+05, Fnorm=2.841e+02, Fmax=1.827e+03 (atom 2836)
Step 4363, Epot=-2.389520e+05, Fnorm=2.794e+02, Fmax=1.603e+03 (atom 5284)
Step 4364, Epot=-2.389525e+05, Fnorm=2.846e+02, Fmax=1.860e+03 (atom 3520)
Step 4365, Epot=-2.389532e+05, Fnorm=2.803e+02, Fmax=1.962e+03 (atom 334)
Step 4366, Epot=-2.389538e+05, Fnorm=2.806e+02, Fmax=1.636e+03 (atom 3088)
Step 4367, Epot=-2.389542e+05, Fnorm=2.871e+02, Fmax=2.159e+03 (atom 598)
Step 4368, Epot=-2.389548e+05, Fnorm=2.783e+02, Fmax=1.561e+03 (atom 862)
Step 4369, Epot=-2.389554e+05, Fnorm=2.839e+02, Fmax=1.484e+03 (atom 3910)
Step 4370, Epot=-2.389561e+05, Fnorm=2.822e+02, Fmax=1.610e+03 (atom 4630)
Step 4371, Epot=-2.389567e+05, Fnorm=2.877e+02, Fmax=2.051e+03 (atom 4030)
Step 4372, Epot=-2.389574e+05, Fnorm=2.827e+02, Fmax=1.947e+03 (atom 1708)
Step 4373, Epot=-2.389581e+05, Fnorm=2.855e+02, Fmax=1.653e+03 (atom 3310)
Step 4374, Epot=-2.389587e+05, Fnorm=2.849e+02, Fmax=1.631e+03 (atom 1780)
Step 4375, Epot=-2.389593e+05, Fnorm=2.858e+02, Fmax=1.603e+03 (atom 916)
Step 4376, Epot=-2.389600e+05, Fnorm=2.816e+02, Fmax=1.637e+03 (atom 3184)
Step 4377, Epot=-2.389606e+05, Fnorm=2.771e+02, Fmax=1.547e+03 (atom 5938)
Step 4378, Epot=-2.389613e+05, Fnorm=2.828e+02, Fmax=1.939e+03 (atom 5680)
Step 4379, Epot=-2.389619e+05, Fnorm=2.840e+02, Fmax=1.769e+03 (atom 3520)
Step 4380, Epot=-2.389625e+05, Fnorm=2.782e+02, Fmax=1.691e+03 (atom 370)
Step 4381, Epot=-2.389631e+05, Fnorm=2.835e+02, Fmax=1.529e+03 (atom 2710)
Step 4382, Epot=-2.389636e+05, Fnorm=2.752e+02, Fmax=1.728e+03 (atom 664)
Step 4383, Epot=-2.389642e+05, Fnorm=2.749e+02, Fmax=1.620e+03 (atom 1780)
Step 4384, Epot=-2.389648e+05, Fnorm=2.862e+02, Fmax=1.719e+03 (atom 3508)
Step 4385, Epot=-2.389654e+05, Fnorm=2.811e+02, Fmax=1.616e+03 (atom 4156)
Step 4386, Epot=-2.389660e+05, Fnorm=2.810e+02, Fmax=1.615e+03 (atom 4156)
Step 4387, Epot=-2.389666e+05, Fnorm=2.858e+02, Fmax=1.846e+03 (atom 5878)
Step 4388, Epot=-2.389671e+05, Fnorm=2.845e+02, Fmax=1.566e+03 (atom 916)
Step 4389, Epot=-2.389677e+05, Fnorm=2.773e+02, Fmax=1.553e+03 (atom 3910)
Step 4390, Epot=-2.389683e+05, Fnorm=2.785e+02, Fmax=1.612e+03 (atom 4630)
Step 4391, Epot=-2.389689e+05, Fnorm=2.817e+02, Fmax=1.545e+03 (atom 1504)
Step 4392, Epot=-2.389694e+05, Fnorm=2.873e+02, Fmax=1.750e+03 (atom 1516)
Step 4393, Epot=-2.389700e+05, Fnorm=2.891e+02, Fmax=2.085e+03 (atom 3376)
Step 4394, Epot=-2.389706e+05, Fnorm=2.848e+02, Fmax=1.745e+03 (atom 5536)
Step 4395, Epot=-2.389711e+05, Fnorm=2.778e+02, Fmax=1.614e+03 (atom 3310)
Step 4396, Epot=-2.389718e+05, Fnorm=2.840e+02, Fmax=1.956e+03 (atom 1708)
Step 4397, Epot=-2.389722e+05, Fnorm=2.819e+02, Fmax=1.612e+03 (atom 3310)
Step 4398, Epot=-2.389728e+05, Fnorm=2.724e+02, Fmax=1.415e+03 (atom 3796)
Step 4399, Epot=-2.389732e+05, Fnorm=2.819e+02, Fmax=2.050e+03 (atom 2770)
Step 4400, Epot=-2.389737e+05, Fnorm=2.848e+02, Fmax=1.839e+03 (atom 2836)
Step 4401, Epot=-2.389742e+05, Fnorm=2.810e+02, Fmax=2.022e+03 (atom 1330)
Step 4402, Epot=-2.389748e+05, Fnorm=2.796e+02, Fmax=2.001e+03 (atom 1330)
Step 4403, Epot=-2.389753e+05, Fnorm=2.834e+02, Fmax=2.001e+03 (atom 1330)
Step 4404, Epot=-2.389758e+05, Fnorm=2.899e+02, Fmax=1.604e+03 (atom 3934)
Step 4405, Epot=-2.389764e+05, Fnorm=2.926e+02, Fmax=1.904e+03 (atom 1258)
Step 4406, Epot=-2.389770e+05, Fnorm=2.857e+02, Fmax=1.675e+03 (atom 1258)
Step 4407, Epot=-2.389776e+05, Fnorm=2.802e+02, Fmax=2.108e+03 (atom 2038)
Step 4408, Epot=-2.389781e+05, Fnorm=2.764e+02, Fmax=1.421e+03 (atom 4756)
Step 4409, Epot=-2.389787e+05, Fnorm=2.814e+02, Fmax=1.634e+03 (atom 4156)
Step 4410, Epot=-2.389792e+05, Fnorm=2.821e+02, Fmax=1.666e+03 (atom 6076)
Step 4411, Epot=-2.389797e+05, Fnorm=2.844e+02, Fmax=1.638e+03 (atom 3856)
Step 4412, Epot=-2.389802e+05, Fnorm=2.870e+02, Fmax=1.838e+03 (atom 2836)
Step 4413, Epot=-2.389808e+05, Fnorm=2.815e+02, Fmax=2.164e+03 (atom 4498)
Step 4414, Epot=-2.389814e+05, Fnorm=2.821e+02, Fmax=1.730e+03 (atom 4498)
Step 4415, Epot=-2.389819e+05, Fnorm=2.816e+02, Fmax=1.613e+03 (atom 3574)
Step 4416, Epot=-2.389826e+05, Fnorm=2.777e+02, Fmax=1.681e+03 (atom 370)
Step 4417, Epot=-2.389831e+05, Fnorm=2.837e+02, Fmax=1.578e+03 (atom 658)
Step 4418, Epot=-2.389838e+05, Fnorm=2.830e+02, Fmax=1.738e+03 (atom 586)
Step 4419, Epot=-2.389844e+05, Fnorm=2.841e+02, Fmax=1.646e+03 (atom 3310)
Step 4420, Epot=-2.389850e+05, Fnorm=2.785e+02, Fmax=1.517e+03 (atom 1402)
Step 4421, Epot=-2.389857e+05, Fnorm=2.852e+02, Fmax=1.961e+03 (atom 1708)
Step 4422, Epot=-2.389862e+05, Fnorm=2.872e+02, Fmax=1.728e+03 (atom 4498)
Step 4423, Epot=-2.389870e+05, Fnorm=2.811e+02, Fmax=1.727e+03 (atom 4498)
Step 4424, Epot=-2.389876e+05, Fnorm=2.799e+02, Fmax=1.612e+03 (atom 4030)
Step 4425, Epot=-2.389882e+05, Fnorm=2.866e+02, Fmax=1.615e+03 (atom 3934)
Step 4426, Epot=-2.389888e+05, Fnorm=2.864e+02, Fmax=1.720e+03 (atom 5536)
Step 4427, Epot=-2.389894e+05, Fnorm=2.815e+02, Fmax=1.459e+03 (atom 2848)
Step 4428, Epot=-2.389901e+05, Fnorm=2.868e+02, Fmax=2.193e+03 (atom 4156)
Step 4429, Epot=-2.389907e+05, Fnorm=2.811e+02, Fmax=1.581e+03 (atom 5692)
Step 4430, Epot=-2.389913e+05, Fnorm=2.810e+02, Fmax=1.800e+03 (atom 922)
Step 4431, Epot=-2.389918e+05, Fnorm=2.782e+02, Fmax=1.661e+03 (atom 3310)
Step 4432, Epot=-2.389924e+05, Fnorm=2.878e+02, Fmax=1.845e+03 (atom 2836)
Step 4433, Epot=-2.389931e+05, Fnorm=2.866e+02, Fmax=1.640e+03 (atom 1774)
Step 4434, Epot=-2.389937e+05, Fnorm=2.824e+02, Fmax=1.687e+03 (atom 370)
Step 4435, Epot=-2.389942e+05, Fnorm=2.912e+02, Fmax=2.060e+03 (atom 3376)
Step 4436, Epot=-2.389948e+05, Fnorm=2.904e+02, Fmax=1.675e+03 (atom 5494)
Step 4437, Epot=-2.389955e+05, Fnorm=2.785e+02, Fmax=1.519e+03 (atom 4030)
Step 4438, Epot=-2.389962e+05, Fnorm=2.837e+02, Fmax=1.847e+03 (atom 1510)
Step 4439, Epot=-2.389968e+05, Fnorm=2.909e+02, Fmax=1.831e+03 (atom 2770)
Step 4440, Epot=-2.389975e+05, Fnorm=2.872e+02, Fmax=1.717e+03 (atom 586)
Step 4441, Epot=-2.389982e+05, Fnorm=2.877e+02, Fmax=1.645e+03 (atom 4630)
Step 4442, Epot=-2.389988e+05, Fnorm=2.879e+02, Fmax=1.590e+03 (atom 5494)
Step 4443, Epot=-2.389996e+05, Fnorm=2.805e+02, Fmax=1.571e+03 (atom 3910)
Step 4444, Epot=-2.390002e+05, Fnorm=2.851e+02, Fmax=1.545e+03 (atom 586)
Step 4445, Epot=-2.390008e+05, Fnorm=2.819e+02, Fmax=1.593e+03 (atom 2860)
Step 4446, Epot=-2.390016e+05, Fnorm=2.857e+02, Fmax=2.150e+03 (atom 4498)
Step 4447, Epot=-2.390023e+05, Fnorm=2.846e+02, Fmax=1.577e+03 (atom 3430)
Step 4448, Epot=-2.390030e+05, Fnorm=2.877e+02, Fmax=1.677e+03 (atom 664)
Step 4449, Epot=-2.390039e+05, Fnorm=2.825e+02, Fmax=1.612e+03 (atom 2848)
Step 4450, Epot=-2.390047e+05, Fnorm=2.884e+02, Fmax=1.904e+03 (atom 826)
Step 4451, Epot=-2.390055e+05, Fnorm=2.823e+02, Fmax=1.900e+03 (atom 826)
Step 4452, Epot=-2.390065e+05, Fnorm=2.824e+02, Fmax=1.951e+03 (atom 3442)
Step 4453, Epot=-2.390073e+05, Fnorm=2.836e+02, Fmax=1.588e+03 (atom 5608)
Step 4454, Epot=-2.390080e+05, Fnorm=2.755e+02, Fmax=1.402e+03 (atom 6010)
Step 4455, Epot=-2.390089e+05, Fnorm=2.808e+02, Fmax=1.517e+03 (atom 2380)
Step 4456, Epot=-2.390096e+05, Fnorm=2.757e+02, Fmax=1.796e+03 (atom 4696)
Step 4457, Epot=-2.390103e+05, Fnorm=2.791e+02, Fmax=1.605e+03 (atom 4030)
Step 4458, Epot=-2.390111e+05, Fnorm=2.808e+02, Fmax=1.599e+03 (atom 1504)
Step 4459, Epot=-2.390119e+05, Fnorm=2.872e+02, Fmax=1.553e+03 (atom 5692)
Step 4460, Epot=-2.390128e+05, Fnorm=2.877e+02, Fmax=1.945e+03 (atom 4264)
Step 4461, Epot=-2.390136e+05, Fnorm=2.842e+02, Fmax=1.440e+03 (atom 3304)
Step 4462, Epot=-2.390145e+05, Fnorm=2.874e+02, Fmax=2.039e+03 (atom 466)
Step 4463, Epot=-2.390154e+05, Fnorm=2.884e+02, Fmax=2.128e+03 (atom 2038)
Step 4464, Epot=-2.390163e+05, Fnorm=2.828e+02, Fmax=1.708e+03 (atom 6160)
Step 4465, Epot=-2.390173e+05, Fnorm=2.930e+02, Fmax=1.705e+03 (atom 6160)
Step 4466, Epot=-2.390183e+05, Fnorm=2.938e+02, Fmax=2.045e+03 (atom 2194)
Step 4467, Epot=-2.390194e+05, Fnorm=2.854e+02, Fmax=1.719e+03 (atom 3574)
Step 4468, Epot=-2.390204e+05, Fnorm=2.806e+02, Fmax=1.608e+03 (atom 916)
Step 4469, Epot=-2.390214e+05, Fnorm=2.808e+02, Fmax=1.617e+03 (atom 1516)
Step 4470, Epot=-2.390223e+05, Fnorm=2.790e+02, Fmax=1.538e+03 (atom 5434)
Step 4471, Epot=-2.390232e+05, Fnorm=2.815e+02, Fmax=1.517e+03 (atom 4030)
Step 4472, Epot=-2.390241e+05, Fnorm=2.874e+02, Fmax=1.628e+03 (atom 1774)
Step 4473, Epot=-2.390252e+05, Fnorm=2.841e+02, Fmax=1.445e+03 (atom 2710)
Step 4474, Epot=-2.390261e+05, Fnorm=2.898e+02, Fmax=2.119e+03 (atom 3574)
Step 4475, Epot=-2.390272e+05, Fnorm=2.837e+02, Fmax=1.648e+03 (atom 4630)
Step 4476, Epot=-2.390283e+05, Fnorm=2.839e+02, Fmax=1.866e+03 (atom 4762)
Step 4477, Epot=-2.390293e+05, Fnorm=2.838e+02, Fmax=1.807e+03 (atom 922)
Step 4478, Epot=-2.390302e+05, Fnorm=2.853e+02, Fmax=1.578e+03 (atom 1774)
Step 4479, Epot=-2.390313e+05, Fnorm=2.890e+02, Fmax=2.007e+03 (atom 5218)
Step 4480, Epot=-2.390323e+05, Fnorm=2.898e+02, Fmax=1.674e+03 (atom 2836)
Step 4481, Epot=-2.390333e+05, Fnorm=2.875e+02, Fmax=2.129e+03 (atom 3574)
Step 4482, Epot=-2.390342e+05, Fnorm=2.853e+02, Fmax=2.127e+03 (atom 3574)
Step 4483, Epot=-2.390352e+05, Fnorm=2.857e+02, Fmax=1.619e+03 (atom 2848)
Step 4484, Epot=-2.390362e+05, Fnorm=2.832e+02, Fmax=1.472e+03 (atom 1246)
Step 4485, Epot=-2.390372e+05, Fnorm=2.845e+02, Fmax=2.114e+03 (atom 5944)
Step 4486, Epot=-2.390382e+05, Fnorm=2.875e+02, Fmax=1.834e+03 (atom 5434)
Step 4487, Epot=-2.390392e+05, Fnorm=2.845e+02, Fmax=1.586e+03 (atom 1774)
Step 4488, Epot=-2.390402e+05, Fnorm=2.862e+02, Fmax=1.631e+03 (atom 4006)
Step 4489, Epot=-2.390412e+05, Fnorm=2.863e+02, Fmax=2.016e+03 (atom 4264)
Step 4490, Epot=-2.390422e+05, Fnorm=2.856e+02, Fmax=1.729e+03 (atom 3574)
Step 4491, Epot=-2.390432e+05, Fnorm=2.887e+02, Fmax=1.650e+03 (atom 5608)
Step 4492, Epot=-2.390441e+05, Fnorm=2.863e+02, Fmax=1.825e+03 (atom 5434)
Step 4493, Epot=-2.390451e+05, Fnorm=2.890e+02, Fmax=1.930e+03 (atom 3442)
Step 4494, Epot=-2.390460e+05, Fnorm=2.845e+02, Fmax=1.929e+03 (atom 3442)
Step 4495, Epot=-2.390470e+05, Fnorm=2.881e+02, Fmax=1.646e+03 (atom 3310)
Step 4496, Epot=-2.390479e+05, Fnorm=2.870e+02, Fmax=2.036e+03 (atom 3316)
Step 4497, Epot=-2.390489e+05, Fnorm=2.893e+02, Fmax=2.437e+03 (atom 2770)
Step 4498, Epot=-2.390499e+05, Fnorm=2.925e+02, Fmax=1.595e+03 (atom 1330)
Step 4499, Epot=-2.390508e+05, Fnorm=2.795e+02, Fmax=1.562e+03 (atom 3958)
Step 4500, Epot=-2.390518e+05, Fnorm=2.838e+02, Fmax=1.724e+03 (atom 3508)
Step 4501, Epot=-2.390527e+05, Fnorm=2.834e+02, Fmax=1.654e+03 (atom 5290)
Step 4502, Epot=-2.390536e+05, Fnorm=2.810e+02, Fmax=1.534e+03 (atom 406)
Step 4503, Epot=-2.390546e+05, Fnorm=2.825e+02, Fmax=1.520e+03 (atom 3304)
Step 4504, Epot=-2.390555e+05, Fnorm=2.862e+02, Fmax=1.718e+03 (atom 5536)
Step 4505, Epot=-2.390565e+05, Fnorm=2.866e+02, Fmax=1.569e+03 (atom 2392)
Step 4506, Epot=-2.390574e+05, Fnorm=2.810e+02, Fmax=1.562e+03 (atom 2380)
Step 4507, Epot=-2.390582e+05, Fnorm=2.823e+02, Fmax=1.637e+03 (atom 3442)
Step 4508, Epot=-2.390592e+05, Fnorm=2.788e+02, Fmax=1.635e+03 (atom 5884)
Step 4509, Epot=-2.390600e+05, Fnorm=2.808e+02, Fmax=1.478e+03 (atom 4030)
Step 4510, Epot=-2.390609e+05, Fnorm=2.816e+02, Fmax=1.479e+03 (atom 4030)
Step 4511, Epot=-2.390619e+05, Fnorm=2.869e+02, Fmax=1.872e+03 (atom 1510)
Step 4512, Epot=-2.390627e+05, Fnorm=2.903e+02, Fmax=1.669e+03 (atom 5692)
Step 4513, Epot=-2.390636e+05, Fnorm=2.846e+02, Fmax=1.709e+03 (atom 4498)
Step 4514, Epot=-2.390645e+05, Fnorm=2.777e+02, Fmax=1.695e+03 (atom 3574)
Step 4515, Epot=-2.390655e+05, Fnorm=2.908e+02, Fmax=1.809e+03 (atom 5812)
Step 4516, Epot=-2.390663e+05, Fnorm=2.871e+02, Fmax=1.702e+03 (atom 664)
Step 4517, Epot=-2.390674e+05, Fnorm=2.884e+02, Fmax=2.179e+03 (atom 4156)
Step 4518, Epot=-2.390682e+05, Fnorm=2.908e+02, Fmax=1.663e+03 (atom 4690)
Step 4519, Epot=-2.390691e+05, Fnorm=2.879e+02, Fmax=1.547e+03 (atom 1516)
Step 4520, Epot=-2.390701e+05, Fnorm=2.878e+02, Fmax=1.716e+03 (atom 4498)
Step 4521, Epot=-2.390711e+05, Fnorm=2.910e+02, Fmax=1.717e+03 (atom 4498)
Step 4522, Epot=-2.390721e+05, Fnorm=2.887e+02, Fmax=1.623e+03 (atom 3964)
Step 4523, Epot=-2.390730e+05, Fnorm=2.893e+02, Fmax=1.820e+03 (atom 5434)
Step 4524, Epot=-2.390740e+05, Fnorm=2.857e+02, Fmax=1.940e+03 (atom 1708)
Step 4525, Epot=-2.390750e+05, Fnorm=2.897e+02, Fmax=1.938e+03 (atom 1708)
Step 4526, Epot=-2.390759e+05, Fnorm=2.833e+02, Fmax=1.664e+03 (atom 1516)
Step 4527, Epot=-2.390768e+05, Fnorm=2.857e+02, Fmax=1.772e+03 (atom 1774)
Step 4528, Epot=-2.390777e+05, Fnorm=2.806e+02, Fmax=1.724e+03 (atom 3508)
Step 4529, Epot=-2.390785e+05, Fnorm=2.770e+02, Fmax=1.892e+03 (atom 4264)
Step 4530, Epot=-2.390794e+05, Fnorm=2.830e+02, Fmax=1.584e+03 (atom 3310)
Step 4531, Epot=-2.390803e+05, Fnorm=2.887e+02, Fmax=2.013e+03 (atom 928)
Step 4532, Epot=-2.390811e+05, Fnorm=2.848e+02, Fmax=1.600e+03 (atom 3430)
Step 4533, Epot=-2.390819e+05, Fnorm=2.742e+02, Fmax=1.650e+03 (atom 3184)
Step 4534, Epot=-2.390828e+05, Fnorm=2.856e+02, Fmax=2.116e+03 (atom 2326)
Step 4535, Epot=-2.390836e+05, Fnorm=2.935e+02, Fmax=1.843e+03 (atom 1510)
Step 4536, Epot=-2.390845e+05, Fnorm=2.890e+02, Fmax=1.841e+03 (atom 1510)
Step 4537, Epot=-2.390853e+05, Fnorm=2.918e+02, Fmax=2.039e+03 (atom 2770)
Step 4538, Epot=-2.390863e+05, Fnorm=2.901e+02, Fmax=1.931e+03 (atom 1708)
Step 4539, Epot=-2.390873e+05, Fnorm=2.890e+02, Fmax=1.930e+03 (atom 1708)
Step 4540, Epot=-2.390882e+05, Fnorm=2.846e+02, Fmax=1.756e+03 (atom 1330)
Step 4541, Epot=-2.390891e+05, Fnorm=2.930e+02, Fmax=2.108e+03 (atom 3376)
Step 4542, Epot=-2.390901e+05, Fnorm=2.892e+02, Fmax=2.106e+03 (atom 3376)
Step 4543, Epot=-2.390911e+05, Fnorm=2.869e+02, Fmax=1.636e+03 (atom 2596)
Step 4544, Epot=-2.390920e+05, Fnorm=2.878e+02, Fmax=1.716e+03 (atom 4912)
Step 4545, Epot=-2.390930e+05, Fnorm=2.847e+02, Fmax=1.565e+03 (atom 562)
Step 4546, Epot=-2.390940e+05, Fnorm=2.862e+02, Fmax=1.788e+03 (atom 922)
Step 4547, Epot=-2.390949e+05, Fnorm=2.899e+02, Fmax=1.870e+03 (atom 2386)
Step 4548, Epot=-2.390959e+05, Fnorm=2.813e+02, Fmax=1.421e+03 (atom 1132)
Step 4549, Epot=-2.390969e+05, Fnorm=2.874e+02, Fmax=1.486e+03 (atom 784)
Step 4550, Epot=-2.390977e+05, Fnorm=2.869e+02, Fmax=1.537e+03 (atom 3448)
Step 4551, Epot=-2.390988e+05, Fnorm=2.813e+02, Fmax=1.641e+03 (atom 4630)
Step 4552, Epot=-2.390997e+05, Fnorm=2.894e+02, Fmax=1.609e+03 (atom 4156)
Step 4553, Epot=-2.391006e+05, Fnorm=2.904e+02, Fmax=1.594e+03 (atom 1840)
Step 4554, Epot=-2.391016e+05, Fnorm=2.876e+02, Fmax=1.788e+03 (atom 922)
Step 4555, Epot=-2.391026e+05, Fnorm=2.863e+02, Fmax=1.789e+03 (atom 922)
Step 4556, Epot=-2.391036e+05, Fnorm=2.882e+02, Fmax=1.668e+03 (atom 5284)
Step 4557, Epot=-2.391046e+05, Fnorm=2.873e+02, Fmax=1.795e+03 (atom 4264)
Step 4558, Epot=-2.391055e+05, Fnorm=2.811e+02, Fmax=1.644e+03 (atom 4630)
Step 4559, Epot=-2.391064e+05, Fnorm=2.846e+02, Fmax=1.607e+03 (atom 1516)
Step 4560, Epot=-2.391073e+05, Fnorm=2.824e+02, Fmax=1.450e+03 (atom 2098)
Step 4561, Epot=-2.391083e+05, Fnorm=2.785e+02, Fmax=1.496e+03 (atom 4336)
Step 4562, Epot=-2.391093e+05, Fnorm=2.805e+02, Fmax=1.667e+03 (atom 3442)
Step 4563, Epot=-2.391102e+05, Fnorm=2.876e+02, Fmax=1.669e+03 (atom 3442)
Step 4564, Epot=-2.391112e+05, Fnorm=2.844e+02, Fmax=1.818e+03 (atom 5302)
Step 4565, Epot=-2.391122e+05, Fnorm=2.749e+02, Fmax=1.811e+03 (atom 1774)
Step 4566, Epot=-2.391131e+05, Fnorm=2.851e+02, Fmax=1.763e+03 (atom 5686)
Step 4567, Epot=-2.391141e+05, Fnorm=2.827e+02, Fmax=1.992e+03 (atom 2770)
Step 4568, Epot=-2.391151e+05, Fnorm=2.887e+02, Fmax=2.063e+03 (atom 2194)
Step 4569, Epot=-2.391161e+05, Fnorm=2.894e+02, Fmax=2.600e+03 (atom 3898)
Step 4570, Epot=-2.391171e+05, Fnorm=2.881e+02, Fmax=2.367e+03 (atom 826)
Step 4571, Epot=-2.391180e+05, Fnorm=2.877e+02, Fmax=2.362e+03 (atom 826)
Step 4572, Epot=-2.391189e+05, Fnorm=2.748e+02, Fmax=1.651e+03 (atom 1642)
Step 4573, Epot=-2.391198e+05, Fnorm=2.814e+02, Fmax=1.653e+03 (atom 4630)
Step 4574, Epot=-2.391207e+05, Fnorm=2.884e+02, Fmax=1.653e+03 (atom 4630)
Step 4575, Epot=-2.391216e+05, Fnorm=2.891e+02, Fmax=1.548e+03 (atom 598)
Step 4576, Epot=-2.391228e+05, Fnorm=2.912e+02, Fmax=1.542e+03 (atom 562)
Step 4577, Epot=-2.391237e+05, Fnorm=2.895e+02, Fmax=1.795e+03 (atom 3808)
Step 4578, Epot=-2.391246e+05, Fnorm=2.850e+02, Fmax=1.572e+03 (atom 3508)
Step 4579, Epot=-2.391255e+05, Fnorm=2.776e+02, Fmax=1.811e+03 (atom 4498)
Step 4580, Epot=-2.391264e+05, Fnorm=2.866e+02, Fmax=1.661e+03 (atom 370)
Step 4581, Epot=-2.391273e+05, Fnorm=2.826e+02, Fmax=1.568e+03 (atom 406)
Step 4582, Epot=-2.391282e+05, Fnorm=2.864e+02, Fmax=1.650e+03 (atom 4156)
Step 4583, Epot=-2.391291e+05, Fnorm=2.866e+02, Fmax=1.392e+03 (atom 5350)
Step 4584, Epot=-2.391301e+05, Fnorm=2.936e+02, Fmax=1.634e+03 (atom 3088)
Step 4585, Epot=-2.391311e+05, Fnorm=2.916e+02, Fmax=2.039e+03 (atom 4330)
Step 4586, Epot=-2.391322e+05, Fnorm=2.875e+02, Fmax=1.547e+03 (atom 3958)
Step 4587, Epot=-2.391333e+05, Fnorm=2.841e+02, Fmax=1.507e+03 (atom 2044)
Step 4588, Epot=-2.391343e+05, Fnorm=2.812e+02, Fmax=1.521e+03 (atom 334)
Step 4589, Epot=-2.391352e+05, Fnorm=2.793e+02, Fmax=1.537e+03 (atom 1330)
Step 4590, Epot=-2.391363e+05, Fnorm=2.825e+02, Fmax=1.534e+03 (atom 1840)
Step 4591, Epot=-2.391371e+05, Fnorm=2.889e+02, Fmax=1.599e+03 (atom 916)
Step 4592, Epot=-2.391380e+05, Fnorm=2.839e+02, Fmax=1.525e+03 (atom 2044)
Step 4593, Epot=-2.391390e+05, Fnorm=2.868e+02, Fmax=2.168e+03 (atom 2038)
Step 4594, Epot=-2.391400e+05, Fnorm=2.839e+02, Fmax=1.835e+03 (atom 4264)
Step 4595, Epot=-2.391408e+05, Fnorm=2.893e+02, Fmax=1.597e+03 (atom 5608)
Step 4596, Epot=-2.391418e+05, Fnorm=2.834e+02, Fmax=1.473e+03 (atom 388)
Step 4597, Epot=-2.391427e+05, Fnorm=2.948e+02, Fmax=2.072e+03 (atom 1330)
Step 4598, Epot=-2.391437e+05, Fnorm=2.889e+02, Fmax=1.654e+03 (atom 4156)
Step 4599, Epot=-2.391446e+05, Fnorm=2.837e+02, Fmax=1.591e+03 (atom 2848)
Step 4600, Epot=-2.391456e+05, Fnorm=2.832e+02, Fmax=1.600e+03 (atom 1774)
Step 4601, Epot=-2.391464e+05, Fnorm=2.831e+02, Fmax=1.643e+03 (atom 4630)
Step 4602, Epot=-2.391473e+05, Fnorm=2.894e+02, Fmax=2.040e+03 (atom 4030)
Step 4603, Epot=-2.391482e+05, Fnorm=2.852e+02, Fmax=1.728e+03 (atom 4156)
Step 4604, Epot=-2.391491e+05, Fnorm=2.822e+02, Fmax=1.668e+03 (atom 3130)
Step 4605, Epot=-2.391501e+05, Fnorm=2.926e+02, Fmax=2.270e+03 (atom 4696)
Step 4606, Epot=-2.391510e+05, Fnorm=2.932e+02, Fmax=1.659e+03 (atom 3130)
Step 4607, Epot=-2.391521e+05, Fnorm=2.908e+02, Fmax=1.652e+03 (atom 3130)
Step 4608, Epot=-2.391531e+05, Fnorm=2.898e+02, Fmax=1.816e+03 (atom 1510)
Step 4609, Epot=-2.391540e+05, Fnorm=2.881e+02, Fmax=1.817e+03 (atom 1510)
Step 4610, Epot=-2.391551e+05, Fnorm=2.924e+02, Fmax=1.652e+03 (atom 3310)
Step 4611, Epot=-2.391561e+05, Fnorm=2.968e+02, Fmax=1.693e+03 (atom 5074)
Step 4612, Epot=-2.391571e+05, Fnorm=2.939e+02, Fmax=1.631e+03 (atom 724)
Step 4613, Epot=-2.391580e+05, Fnorm=2.837e+02, Fmax=1.628e+03 (atom 5440)
Step 4614, Epot=-2.391589e+05, Fnorm=2.804e+02, Fmax=1.631e+03 (atom 2596)
Step 4615, Epot=-2.391598e+05, Fnorm=2.928e+02, Fmax=2.026e+03 (atom 2194)
Step 4616, Epot=-2.391607e+05, Fnorm=2.827e+02, Fmax=1.794e+03 (atom 2770)
Step 4617, Epot=-2.391616e+05, Fnorm=2.847e+02, Fmax=1.547e+03 (atom 6064)
Step 4618, Epot=-2.391624e+05, Fnorm=2.875e+02, Fmax=1.852e+03 (atom 2836)
Step 4619, Epot=-2.391633e+05, Fnorm=2.897e+02, Fmax=2.038e+03 (atom 1330)
Step 4620, Epot=-2.391642e+05, Fnorm=2.925e+02, Fmax=2.037e+03 (atom 1330)
Step 4621, Epot=-2.391653e+05, Fnorm=2.958e+02, Fmax=2.051e+03 (atom 3574)
Step 4622, Epot=-2.391662e+05, Fnorm=2.933e+02, Fmax=2.051e+03 (atom 3574)
Step 4623, Epot=-2.391672e+05, Fnorm=2.857e+02, Fmax=1.583e+03 (atom 1330)
Step 4624, Epot=-2.391681e+05, Fnorm=2.829e+02, Fmax=1.812e+03 (atom 4912)
Step 4625, Epot=-2.391691e+05, Fnorm=2.863e+02, Fmax=1.755e+03 (atom 3520)
Step 4626, Epot=-2.391700e+05, Fnorm=2.888e+02, Fmax=2.036e+03 (atom 1330)
Step 4627, Epot=-2.391709e+05, Fnorm=2.852e+02, Fmax=1.720e+03 (atom 664)
Step 4628, Epot=-2.391718e+05, Fnorm=2.832e+02, Fmax=2.061e+03 (atom 3376)
Step 4629, Epot=-2.391726e+05, Fnorm=2.872e+02, Fmax=2.021e+03 (atom 2770)
Step 4630, Epot=-2.391737e+05, Fnorm=2.948e+02, Fmax=1.878e+03 (atom 5014)
Step 4631, Epot=-2.391746e+05, Fnorm=2.897e+02, Fmax=1.607e+03 (atom 4630)
Step 4632, Epot=-2.391755e+05, Fnorm=2.770e+02, Fmax=1.654e+03 (atom 5422)
Step 4633, Epot=-2.391764e+05, Fnorm=2.814e+02, Fmax=1.599e+03 (atom 1516)
Step 4634, Epot=-2.391773e+05, Fnorm=2.835e+02, Fmax=1.679e+03 (atom 664)
Step 4635, Epot=-2.391781e+05, Fnorm=2.856e+02, Fmax=2.009e+03 (atom 4564)
Step 4636, Epot=-2.391789e+05, Fnorm=2.872e+02, Fmax=1.645e+03 (atom 4156)
Step 4637, Epot=-2.391798e+05, Fnorm=2.834e+02, Fmax=1.602e+03 (atom 4630)
Step 4638, Epot=-2.391806e+05, Fnorm=2.842e+02, Fmax=1.589e+03 (atom 562)
Step 4639, Epot=-2.391814e+05, Fnorm=2.867e+02, Fmax=1.922e+03 (atom 5422)
Step 4640, Epot=-2.391822e+05, Fnorm=2.932e+02, Fmax=1.736e+03 (atom 3508)
Step 4641, Epot=-2.391831e+05, Fnorm=2.904e+02, Fmax=1.567e+03 (atom 2770)
Step 4642, Epot=-2.391839e+05, Fnorm=2.907e+02, Fmax=1.955e+03 (atom 334)
Step 4643, Epot=-2.391847e+05, Fnorm=2.861e+02, Fmax=1.783e+03 (atom 922)
Step 4644, Epot=-2.391857e+05, Fnorm=2.856e+02, Fmax=1.782e+03 (atom 922)
Step 4645, Epot=-2.391865e+05, Fnorm=2.930e+02, Fmax=1.605e+03 (atom 3088)
Step 4646, Epot=-2.391873e+05, Fnorm=2.916e+02, Fmax=1.604e+03 (atom 3088)
Step 4647, Epot=-2.391882e+05, Fnorm=2.878e+02, Fmax=2.037e+03 (atom 2194)
Step 4648, Epot=-2.391890e+05, Fnorm=2.781e+02, Fmax=1.546e+03 (atom 1780)
Step 4649, Epot=-2.391898e+05, Fnorm=2.734e+02, Fmax=1.449e+03 (atom 5890)
Step 4650, Epot=-2.391906e+05, Fnorm=2.848e+02, Fmax=1.674e+03 (atom 664)
Step 4651, Epot=-2.391914e+05, Fnorm=2.849e+02, Fmax=1.524e+03 (atom 2044)
Step 4652, Epot=-2.391922e+05, Fnorm=2.834e+02, Fmax=1.613e+03 (atom 6076)
Step 4653, Epot=-2.391929e+05, Fnorm=2.836e+02, Fmax=1.549e+03 (atom 1780)
Step 4654, Epot=-2.391938e+05, Fnorm=2.804e+02, Fmax=1.558e+03 (atom 2380)
Step 4655, Epot=-2.391946e+05, Fnorm=2.855e+02, Fmax=1.650e+03 (atom 4156)
Step 4656, Epot=-2.391953e+05, Fnorm=2.890e+02, Fmax=1.747e+03 (atom 1354)
Step 4657, Epot=-2.391961e+05, Fnorm=2.762e+02, Fmax=1.746e+03 (atom 1354)
Step 4658, Epot=-2.391969e+05, Fnorm=2.788e+02, Fmax=2.026e+03 (atom 4564)
Step 4659, Epot=-2.391976e+05, Fnorm=2.908e+02, Fmax=1.784e+03 (atom 922)
Step 4660, Epot=-2.391985e+05, Fnorm=2.921e+02, Fmax=2.154e+03 (atom 2326)
Step 4661, Epot=-2.391992e+05, Fnorm=2.889e+02, Fmax=1.979e+03 (atom 3316)
Step 4662, Epot=-2.392001e+05, Fnorm=2.877e+02, Fmax=1.466e+03 (atom 2098)
Step 4663, Epot=-2.392010e+05, Fnorm=2.881e+02, Fmax=1.596e+03 (atom 3244)
Step 4664, Epot=-2.392019e+05, Fnorm=2.921e+02, Fmax=2.117e+03 (atom 994)
Step 4665, Epot=-2.392028e+05, Fnorm=2.891e+02, Fmax=1.671e+03 (atom 5422)
Step 4666, Epot=-2.392037e+05, Fnorm=2.780e+02, Fmax=2.043e+03 (atom 2770)
Step 4667, Epot=-2.392045e+05, Fnorm=2.881e+02, Fmax=1.688e+03 (atom 3574)
Step 4668, Epot=-2.392053e+05, Fnorm=2.795e+02, Fmax=2.088e+03 (atom 3574)
Step 4669, Epot=-2.392062e+05, Fnorm=2.840e+02, Fmax=1.561e+03 (atom 466)
Step 4670, Epot=-2.392069e+05, Fnorm=2.830e+02, Fmax=1.557e+03 (atom 5884)
Step 4671, Epot=-2.392077e+05, Fnorm=2.894e+02, Fmax=1.529e+03 (atom 1774)
Step 4672, Epot=-2.392086e+05, Fnorm=2.881e+02, Fmax=1.468e+03 (atom 370)
Step 4673, Epot=-2.392094e+05, Fnorm=2.895e+02, Fmax=1.781e+03 (atom 922)
Step 4674, Epot=-2.392102e+05, Fnorm=2.946e+02, Fmax=1.856e+03 (atom 3520)
Step 4675, Epot=-2.392111e+05, Fnorm=2.816e+02, Fmax=1.506e+03 (atom 2038)
Step 4676, Epot=-2.392118e+05, Fnorm=2.863e+02, Fmax=1.728e+03 (atom 3508)
Step 4677, Epot=-2.392127e+05, Fnorm=2.800e+02, Fmax=1.627e+03 (atom 5284)
Step 4678, Epot=-2.392134e+05, Fnorm=2.858e+02, Fmax=1.850e+03 (atom 5878)
Step 4679, Epot=-2.392142e+05, Fnorm=2.877e+02, Fmax=2.185e+03 (atom 3898)
Step 4680, Epot=-2.392149e+05, Fnorm=2.817e+02, Fmax=1.712e+03 (atom 664)
Step 4681, Epot=-2.392157e+05, Fnorm=2.816e+02, Fmax=2.086e+03 (atom 2038)
Step 4682, Epot=-2.392165e+05, Fnorm=2.790e+02, Fmax=1.474e+03 (atom 3382)
Step 4683, Epot=-2.392173e+05, Fnorm=2.858e+02, Fmax=2.087e+03 (atom 3376)
Step 4684, Epot=-2.392181e+05, Fnorm=2.913e+02, Fmax=1.670e+03 (atom 562)
Step 4685, Epot=-2.392190e+05, Fnorm=2.862e+02, Fmax=1.642e+03 (atom 4156)
Step 4686, Epot=-2.392198e+05, Fnorm=2.883e+02, Fmax=1.618e+03 (atom 5884)
Step 4687, Epot=-2.392207e+05, Fnorm=2.937e+02, Fmax=2.075e+03 (atom 4564)
Step 4688, Epot=-2.392215e+05, Fnorm=2.956e+02, Fmax=1.846e+03 (atom 2836)
Step 4689, Epot=-2.392224e+05, Fnorm=2.909e+02, Fmax=1.804e+03 (atom 3808)
Step 4690, Epot=-2.392233e+05, Fnorm=2.928e+02, Fmax=1.649e+03 (atom 4630)
Step 4691, Epot=-2.392242e+05, Fnorm=2.799e+02, Fmax=1.762e+03 (atom 1768)
Step 4692, Epot=-2.392250e+05, Fnorm=2.843e+02, Fmax=1.598e+03 (atom 4498)
Step 4693, Epot=-2.392258e+05, Fnorm=2.847e+02, Fmax=1.573e+03 (atom 3934)
Step 4694, Epot=-2.392266e+05, Fnorm=2.797e+02, Fmax=1.740e+03 (atom 3508)
Step 4695, Epot=-2.392275e+05, Fnorm=2.862e+02, Fmax=1.588e+03 (atom 6160)
Step 4696, Epot=-2.392282e+05, Fnorm=2.838e+02, Fmax=1.518e+03 (atom 6064)
Step 4697, Epot=-2.392288e+05, Fnorm=2.810e+02, Fmax=1.816e+03 (atom 562)
Step 4698, Epot=-2.392295e+05, Fnorm=2.845e+02, Fmax=1.814e+03 (atom 562)
Step 4699, Epot=-2.392302e+05, Fnorm=2.819e+02, Fmax=2.466e+03 (atom 3508)
Step 4700, Epot=-2.392309e+05, Fnorm=2.844e+02, Fmax=1.532e+03 (atom 5746)
Step 4701, Epot=-2.392316e+05, Fnorm=2.945e+02, Fmax=1.726e+03 (atom 5536)
Step 4702, Epot=-2.392323e+05, Fnorm=2.888e+02, Fmax=1.579e+03 (atom 5956)
Step 4703, Epot=-2.392330e+05, Fnorm=2.809e+02, Fmax=1.604e+03 (atom 2848)
Step 4704, Epot=-2.392336e+05, Fnorm=2.865e+02, Fmax=1.661e+03 (atom 4630)
Step 4705, Epot=-2.392343e+05, Fnorm=2.861e+02, Fmax=1.730e+03 (atom 5338)
Step 4706, Epot=-2.392349e+05, Fnorm=2.871e+02, Fmax=1.761e+03 (atom 922)
Step 4707, Epot=-2.392356e+05, Fnorm=2.850e+02, Fmax=1.856e+03 (atom 3130)
Step 4708, Epot=-2.392362e+05, Fnorm=2.890e+02, Fmax=1.861e+03 (atom 3130)
Step 4709, Epot=-2.392370e+05, Fnorm=2.876e+02, Fmax=1.864e+03 (atom 3130)
Step 4710, Epot=-2.392377e+05, Fnorm=2.877e+02, Fmax=1.655e+03 (atom 916)
Step 4711, Epot=-2.392383e+05, Fnorm=2.811e+02, Fmax=1.884e+03 (atom 3898)
Step 4712, Epot=-2.392390e+05, Fnorm=2.832e+02, Fmax=1.391e+03 (atom 3826)
Step 4713, Epot=-2.392397e+05, Fnorm=2.893e+02, Fmax=2.198e+03 (atom 4498)
Step 4714, Epot=-2.392404e+05, Fnorm=2.880e+02, Fmax=1.699e+03 (atom 556)
Step 4715, Epot=-2.392410e+05, Fnorm=2.886e+02, Fmax=1.767e+03 (atom 4498)
Step 4716, Epot=-2.392418e+05, Fnorm=2.868e+02, Fmax=1.789e+03 (atom 1510)
Step 4717, Epot=-2.392425e+05, Fnorm=2.948e+02, Fmax=1.835e+03 (atom 562)
Step 4718, Epot=-2.392432e+05, Fnorm=2.909e+02, Fmax=1.991e+03 (atom 2770)
Step 4719, Epot=-2.392440e+05, Fnorm=2.893e+02, Fmax=1.628e+03 (atom 3088)
Step 4720, Epot=-2.392448e+05, Fnorm=2.865e+02, Fmax=1.746e+03 (atom 826)
Step 4721, Epot=-2.392455e+05, Fnorm=2.869e+02, Fmax=1.757e+03 (atom 4498)
Step 4722, Epot=-2.392462e+05, Fnorm=2.895e+02, Fmax=1.717e+03 (atom 370)
Step 4723, Epot=-2.392469e+05, Fnorm=2.817e+02, Fmax=1.683e+03 (atom 562)
Step 4724, Epot=-2.392476e+05, Fnorm=2.842e+02, Fmax=1.961e+03 (atom 466)
Step 4725, Epot=-2.392483e+05, Fnorm=2.861e+02, Fmax=1.601e+03 (atom 916)
Step 4726, Epot=-2.392490e+05, Fnorm=2.770e+02, Fmax=1.692e+03 (atom 3574)
Step 4727, Epot=-2.392497e+05, Fnorm=2.755e+02, Fmax=1.504e+03 (atom 664)
Step 4728, Epot=-2.392503e+05, Fnorm=2.775e+02, Fmax=1.743e+03 (atom 4498)
Step 4729, Epot=-2.392510e+05, Fnorm=2.769e+02, Fmax=1.741e+03 (atom 4498)
Step 4730, Epot=-2.392516e+05, Fnorm=2.781e+02, Fmax=1.715e+03 (atom 370)
Step 4731, Epot=-2.392523e+05, Fnorm=2.763e+02, Fmax=2.036e+03 (atom 4030)
Step 4732, Epot=-2.392530e+05, Fnorm=2.744e+02, Fmax=1.505e+03 (atom 3304)
Step 4733, Epot=-2.392536e+05, Fnorm=2.931e+02, Fmax=1.972e+03 (atom 1708)
Step 4734, Epot=-2.392542e+05, Fnorm=2.857e+02, Fmax=1.635e+03 (atom 436)
Step 4735, Epot=-2.392549e+05, Fnorm=2.818e+02, Fmax=1.478e+03 (atom 3838)
Step 4736, Epot=-2.392555e+05, Fnorm=2.787e+02, Fmax=1.561e+03 (atom 3934)
Step 4737, Epot=-2.392561e+05, Fnorm=2.855e+02, Fmax=1.774e+03 (atom 922)
Step 4738, Epot=-2.392566e+05, Fnorm=2.803e+02, Fmax=1.606e+03 (atom 4030)
Step 4739, Epot=-2.392573e+05, Fnorm=2.818e+02, Fmax=1.422e+03 (atom 5746)
Step 4740, Epot=-2.392579e+05, Fnorm=2.894e+02, Fmax=1.866e+03 (atom 2836)
Step 4741, Epot=-2.392586e+05, Fnorm=2.919e+02, Fmax=1.511e+03 (atom 2710)
Step 4742, Epot=-2.392592e+05, Fnorm=2.918e+02, Fmax=2.109e+03 (atom 664)
Step 4743, Epot=-2.392598e+05, Fnorm=2.834e+02, Fmax=1.673e+03 (atom 1768)
Step 4744, Epot=-2.392605e+05, Fnorm=2.901e+02, Fmax=1.623e+03 (atom 3304)
Step 4745, Epot=-2.392611e+05, Fnorm=2.938e+02, Fmax=2.028e+03 (atom 4030)
Step 4746, Epot=-2.392617e+05, Fnorm=2.876e+02, Fmax=2.463e+03 (atom 3508)
Step 4747, Epot=-2.392622e+05, Fnorm=2.820e+02, Fmax=1.741e+03 (atom 2326)
Step 4748, Epot=-2.392628e+05, Fnorm=2.790e+02, Fmax=1.675e+03 (atom 988)
Step 4749, Epot=-2.392634e+05, Fnorm=2.867e+02, Fmax=1.659e+03 (atom 562)
Step 4750, Epot=-2.392640e+05, Fnorm=2.818e+02, Fmax=1.575e+03 (atom 3910)
Step 4751, Epot=-2.392646e+05, Fnorm=2.816e+02, Fmax=1.615e+03 (atom 1774)
Step 4752, Epot=-2.392652e+05, Fnorm=2.876e+02, Fmax=1.655e+03 (atom 4156)
Step 4753, Epot=-2.392657e+05, Fnorm=2.889e+02, Fmax=1.782e+03 (atom 1510)
Step 4754, Epot=-2.392662e+05, Fnorm=2.858e+02, Fmax=1.682e+03 (atom 4084)
Step 4755, Epot=-2.392667e+05, Fnorm=2.810e+02, Fmax=1.612e+03 (atom 5950)
Step 4756, Epot=-2.392672e+05, Fnorm=2.817e+02, Fmax=1.642e+03 (atom 1840)
Step 4757, Epot=-2.392678e+05, Fnorm=2.815e+02, Fmax=1.800e+03 (atom 562)
Step 4758, Epot=-2.392684e+05, Fnorm=2.871e+02, Fmax=1.564e+03 (atom 3934)
Step 4759, Epot=-2.392689e+05, Fnorm=2.903e+02, Fmax=1.561e+03 (atom 4498)
Step 4760, Epot=-2.392695e+05, Fnorm=2.900e+02, Fmax=1.570e+03 (atom 5956)
Step 4761, Epot=-2.392702e+05, Fnorm=2.882e+02, Fmax=1.701e+03 (atom 370)
Step 4762, Epot=-2.392708e+05, Fnorm=2.835e+02, Fmax=1.722e+03 (atom 4390)
Step 4763, Epot=-2.392713e+05, Fnorm=2.829e+02, Fmax=1.719e+03 (atom 4390)
Step 4764, Epot=-2.392719e+05, Fnorm=2.831e+02, Fmax=1.736e+03 (atom 586)
Step 4765, Epot=-2.392725e+05, Fnorm=2.802e+02, Fmax=1.577e+03 (atom 4690)
Step 4766, Epot=-2.392730e+05, Fnorm=2.835e+02, Fmax=1.428e+03 (atom 1132)
Step 4767, Epot=-2.392736e+05, Fnorm=2.847e+02, Fmax=1.759e+03 (atom 5008)
Step 4768, Epot=-2.392741e+05, Fnorm=2.922e+02, Fmax=1.791e+03 (atom 2770)
Step 4769, Epot=-2.392747e+05, Fnorm=2.830e+02, Fmax=2.079e+03 (atom 3574)
Step 4770, Epot=-2.392753e+05, Fnorm=2.840e+02, Fmax=1.492e+03 (atom 4318)
Step 4771, Epot=-2.392759e+05, Fnorm=2.762e+02, Fmax=1.640e+03 (atom 3442)
Step 4772, Epot=-2.392763e+05, Fnorm=2.795e+02, Fmax=1.556e+03 (atom 1516)
Step 4773, Epot=-2.392768e+05, Fnorm=2.809e+02, Fmax=1.652e+03 (atom 5056)
Step 4774, Epot=-2.392773e+05, Fnorm=2.804e+02, Fmax=1.654e+03 (atom 916)
Step 4775, Epot=-2.392778e+05, Fnorm=2.896e+02, Fmax=1.790e+03 (atom 1510)
Step 4776, Epot=-2.392783e+05, Fnorm=2.907e+02, Fmax=1.593e+03 (atom 3310)
Step 4777, Epot=-2.392788e+05, Fnorm=2.886e+02, Fmax=1.356e+03 (atom 4996)
Step 4778, Epot=-2.392793e+05, Fnorm=2.909e+02, Fmax=1.986e+03 (atom 2770)
Step 4779, Epot=-2.392799e+05, Fnorm=2.832e+02, Fmax=1.644e+03 (atom 4006)
Step 4780, Epot=-2.392804e+05, Fnorm=2.813e+02, Fmax=1.630e+03 (atom 3310)
Step 4781, Epot=-2.392811e+05, Fnorm=2.898e+02, Fmax=1.583e+03 (atom 3910)
Step 4782, Epot=-2.392816e+05, Fnorm=2.888e+02, Fmax=1.814e+03 (atom 5218)
Step 4783, Epot=-2.392822e+05, Fnorm=2.841e+02, Fmax=1.962e+03 (atom 1708)
Step 4784, Epot=-2.392829e+05, Fnorm=2.865e+02, Fmax=1.576e+03 (atom 6076)
Step 4785, Epot=-2.392835e+05, Fnorm=2.859e+02, Fmax=1.504e+03 (atom 3838)
Step 4786, Epot=-2.392841e+05, Fnorm=2.882e+02, Fmax=1.639e+03 (atom 3310)
Step 4787, Epot=-2.392846e+05, Fnorm=2.798e+02, Fmax=1.641e+03 (atom 3310)
Step 4788, Epot=-2.392853e+05, Fnorm=2.838e+02, Fmax=1.741e+03 (atom 5536)
Step 4789, Epot=-2.392858e+05, Fnorm=2.896e+02, Fmax=1.597e+03 (atom 5938)
Step 4790, Epot=-2.392865e+05, Fnorm=2.817e+02, Fmax=1.525e+03 (atom 334)
Step 4791, Epot=-2.392871e+05, Fnorm=2.822e+02, Fmax=1.824e+03 (atom 1774)
Step 4792, Epot=-2.392876e+05, Fnorm=2.862e+02, Fmax=2.192e+03 (atom 4156)
Step 4793, Epot=-2.392882e+05, Fnorm=2.833e+02, Fmax=1.700e+03 (atom 1330)
Step 4794, Epot=-2.392888e+05, Fnorm=2.955e+02, Fmax=1.844e+03 (atom 5548)
Step 4795, Epot=-2.392894e+05, Fnorm=2.807e+02, Fmax=1.631e+03 (atom 2596)
Step 4796, Epot=-2.392900e+05, Fnorm=2.844e+02, Fmax=1.518e+03 (atom 5602)
Step 4797, Epot=-2.392905e+05, Fnorm=2.849e+02, Fmax=1.491e+03 (atom 2710)
Step 4798, Epot=-2.392911e+05, Fnorm=2.807e+02, Fmax=1.618e+03 (atom 1516)
Step 4799, Epot=-2.392918e+05, Fnorm=2.864e+02, Fmax=1.799e+03 (atom 1510)
Step 4800, Epot=-2.392924e+05, Fnorm=2.835e+02, Fmax=1.668e+03 (atom 4690)
Step 4801, Epot=-2.392930e+05, Fnorm=2.823e+02, Fmax=1.632e+03 (atom 4156)
Step 4802, Epot=-2.392935e+05, Fnorm=2.876e+02, Fmax=1.670e+03 (atom 1774)
Step 4803, Epot=-2.392942e+05, Fnorm=2.800e+02, Fmax=1.481e+03 (atom 4336)
Step 4804, Epot=-2.392948e+05, Fnorm=2.815e+02, Fmax=1.604e+03 (atom 5938)
Step 4805, Epot=-2.392954e+05, Fnorm=2.893e+02, Fmax=1.673e+03 (atom 664)
Step 4806, Epot=-2.392961e+05, Fnorm=2.853e+02, Fmax=1.653e+03 (atom 5608)
Step 4807, Epot=-2.392968e+05, Fnorm=2.887e+02, Fmax=1.892e+03 (atom 2836)
Step 4808, Epot=-2.392974e+05, Fnorm=2.889e+02, Fmax=1.748e+03 (atom 3508)
Step 4809, Epot=-2.392981e+05, Fnorm=2.849e+02, Fmax=1.675e+03 (atom 1774)
Step 4810, Epot=-2.392987e+05, Fnorm=2.824e+02, Fmax=1.691e+03 (atom 5296)
Step 4811, Epot=-2.392994e+05, Fnorm=2.862e+02, Fmax=1.640e+03 (atom 5956)
Step 4812, Epot=-2.393000e+05, Fnorm=2.840e+02, Fmax=1.569e+03 (atom 5956)
Step 4813, Epot=-2.393007e+05, Fnorm=2.869e+02, Fmax=1.552e+03 (atom 1516)
Step 4814, Epot=-2.393013e+05, Fnorm=2.880e+02, Fmax=1.669e+03 (atom 3442)
Step 4815, Epot=-2.393019e+05, Fnorm=2.849e+02, Fmax=1.744e+03 (atom 3508)
Step 4816, Epot=-2.392792e+05, Fnorm=2.811e+02, Fmax=1.743e+03 (atom 3508)
Step 4817, Epot=-2.392798e+05, Fnorm=2.847e+02, Fmax=1.632e+03 (atom 1330)
Step 4818, Epot=-2.392805e+05, Fnorm=2.859e+02, Fmax=1.648e+03 (atom 4006)
Step 4819, Epot=-2.392812e+05, Fnorm=2.876e+02, Fmax=1.636e+03 (atom 6076)
Step 4820, Epot=-2.392818e+05, Fnorm=2.843e+02, Fmax=1.665e+03 (atom 3442)
Step 4821, Epot=-2.392825e+05, Fnorm=2.840e+02, Fmax=1.641e+03 (atom 1780)
Step 4822, Epot=-2.392832e+05, Fnorm=2.818e+02, Fmax=1.542e+03 (atom 1516)
Step 4823, Epot=-2.392839e+05, Fnorm=2.827e+02, Fmax=1.746e+03 (atom 1768)
Step 4824, Epot=-2.392847e+05, Fnorm=2.864e+02, Fmax=1.662e+03 (atom 1906)
Step 4825, Epot=-2.392855e+05, Fnorm=2.897e+02, Fmax=1.700e+03 (atom 3316)
Step 4826, Epot=-2.392863e+05, Fnorm=2.827e+02, Fmax=1.565e+03 (atom 664)
Step 4827, Epot=-2.392872e+05, Fnorm=2.847e+02, Fmax=1.623e+03 (atom 916)
Step 4828, Epot=-2.392880e+05, Fnorm=2.871e+02, Fmax=1.597e+03 (atom 3310)
Step 4829, Epot=-2.392889e+05, Fnorm=2.871e+02, Fmax=1.763e+03 (atom 3520)
Step 4830, Epot=-2.392898e+05, Fnorm=2.912e+02, Fmax=1.500e+03 (atom 3826)
Step 4831, Epot=-2.392907e+05, Fnorm=2.934e+02, Fmax=2.103e+03 (atom 3856)
Step 4832, Epot=-2.392917e+05, Fnorm=2.881e+02, Fmax=1.799e+03 (atom 2770)
Step 4833, Epot=-2.392925e+05, Fnorm=2.832e+02, Fmax=1.610e+03 (atom 4030)
Step 4834, Epot=-2.392934e+05, Fnorm=2.808e+02, Fmax=1.725e+03 (atom 3310)
Step 4835, Epot=-2.392944e+05, Fnorm=2.871e+02, Fmax=1.677e+03 (atom 3304)
Step 4836, Epot=-2.392953e+05, Fnorm=2.876e+02, Fmax=1.665e+03 (atom 826)
Step 4837, Epot=-2.392963e+05, Fnorm=2.838e+02, Fmax=1.592e+03 (atom 916)
Step 4838, Epot=-2.392972e+05, Fnorm=2.874e+02, Fmax=1.442e+03 (atom 1780)
Step 4839, Epot=-2.392981e+05, Fnorm=2.819e+02, Fmax=1.528e+03 (atom 3448)
Step 4840, Epot=-2.392990e+05, Fnorm=2.840e+02, Fmax=1.736e+03 (atom 3508)
Step 4841, Epot=-2.393000e+05, Fnorm=2.853e+02, Fmax=1.603e+03 (atom 1780)
Step 4842, Epot=-2.393010e+05, Fnorm=2.882e+02, Fmax=1.851e+03 (atom 5812)
Step 4843, Epot=-2.393020e+05, Fnorm=2.817e+02, Fmax=1.608e+03 (atom 3430)
Step 4844, Epot=-2.393029e+05, Fnorm=2.837e+02, Fmax=1.740e+03 (atom 3310)
Step 4845, Epot=-2.393039e+05, Fnorm=2.869e+02, Fmax=1.627e+03 (atom 4318)
Step 4846, Epot=-2.393048e+05, Fnorm=2.873e+02, Fmax=1.535e+03 (atom 466)
Step 4847, Epot=-2.393058e+05, Fnorm=2.854e+02, Fmax=1.831e+03 (atom 1258)
Step 4848, Epot=-2.393068e+05, Fnorm=2.833e+02, Fmax=1.984e+03 (atom 2770)
Step 4849, Epot=-2.393075e+05, Fnorm=2.832e+02, Fmax=1.830e+03 (atom 1510)
Step 4850, Epot=-2.393084e+05, Fnorm=2.780e+02, Fmax=1.643e+03 (atom 562)
Step 4851, Epot=-2.393092e+05, Fnorm=2.810e+02, Fmax=1.642e+03 (atom 2596)
Step 4852, Epot=-2.393100e+05, Fnorm=2.941e+02, Fmax=1.548e+03 (atom 3910)
Step 4853, Epot=-2.393109e+05, Fnorm=2.890e+02, Fmax=1.631e+03 (atom 4690)
Step 4854, Epot=-2.393117e+05, Fnorm=2.988e+02, Fmax=2.035e+03 (atom 4030)
Step 4855, Epot=-2.393125e+05, Fnorm=2.876e+02, Fmax=1.606e+03 (atom 1780)
Step 4856, Epot=-2.393134e+05, Fnorm=2.874e+02, Fmax=2.101e+03 (atom 3574)
Step 4857, Epot=-2.393143e+05, Fnorm=2.855e+02, Fmax=1.637e+03 (atom 916)
Step 4858, Epot=-2.393151e+05, Fnorm=2.821e+02, Fmax=1.596e+03 (atom 1642)
Step 4859, Epot=-2.393159e+05, Fnorm=2.856e+02, Fmax=1.533e+03 (atom 6064)
Step 4860, Epot=-2.393168e+05, Fnorm=2.852e+02, Fmax=1.801e+03 (atom 4498)
Step 4861, Epot=-2.393176e+05, Fnorm=2.814e+02, Fmax=1.773e+03 (atom 5686)
Step 4862, Epot=-2.393183e+05, Fnorm=2.815e+02, Fmax=1.666e+03 (atom 3310)
Step 4863, Epot=-2.393191e+05, Fnorm=2.836e+02, Fmax=1.701e+03 (atom 370)
Step 4864, Epot=-2.393198e+05, Fnorm=2.864e+02, Fmax=1.506e+03 (atom 1708)
Step 4865, Epot=-2.393207e+05, Fnorm=2.871e+02, Fmax=1.558e+03 (atom 3964)
Step 4866, Epot=-2.393215e+05, Fnorm=2.866e+02, Fmax=1.603e+03 (atom 1330)
Step 4867, Epot=-2.393223e+05, Fnorm=2.872e+02, Fmax=1.723e+03 (atom 1516)
Step 4868, Epot=-2.393232e+05, Fnorm=2.976e+02, Fmax=1.654e+03 (atom 4552)
Step 4869, Epot=-2.393241e+05, Fnorm=2.880e+02, Fmax=1.643e+03 (atom 2848)
Step 4870, Epot=-2.393250e+05, Fnorm=2.843e+02, Fmax=1.769e+03 (atom 922)
Step 4871, Epot=-2.393258e+05, Fnorm=2.872e+02, Fmax=1.654e+03 (atom 4156)
Step 4872, Epot=-2.393268e+05, Fnorm=2.863e+02, Fmax=1.433e+03 (atom 2764)
Step 4873, Epot=-2.393276e+05, Fnorm=2.858e+02, Fmax=1.765e+03 (atom 4498)
Step 4874, Epot=-2.393285e+05, Fnorm=2.777e+02, Fmax=1.840e+03 (atom 1510)
Step 4875, Epot=-2.393295e+05, Fnorm=2.839e+02, Fmax=1.727e+03 (atom 5536)
Step 4876, Epot=-2.393303e+05, Fnorm=2.884e+02, Fmax=1.625e+03 (atom 3310)
Step 4877, Epot=-2.393312e+05, Fnorm=2.862e+02, Fmax=2.024e+03 (atom 928)
Step 4878, Epot=-2.393321e+05, Fnorm=2.847e+02, Fmax=1.742e+03 (atom 4156)
Step 4879, Epot=-2.393330e+05, Fnorm=2.808e+02, Fmax=2.017e+03 (atom 1708)
Step 4880, Epot=-2.393338e+05, Fnorm=2.804e+02, Fmax=2.016e+03 (atom 1708)
Step 4881, Epot=-2.393347e+05, Fnorm=2.795e+02, Fmax=1.457e+03 (atom 1402)
Step 4882, Epot=-2.393356e+05, Fnorm=2.854e+02, Fmax=1.708e+03 (atom 3310)
Step 4883, Epot=-2.393364e+05, Fnorm=2.916e+02, Fmax=1.968e+03 (atom 466)
Step 4884, Epot=-2.393373e+05, Fnorm=2.870e+02, Fmax=2.180e+03 (atom 4498)
Step 4885, Epot=-2.393382e+05, Fnorm=2.832e+02, Fmax=1.833e+03 (atom 1510)
Step 4886, Epot=-2.393389e+05, Fnorm=2.835e+02, Fmax=1.504e+03 (atom 4696)
Step 4887, Epot=-2.393399e+05, Fnorm=2.831e+02, Fmax=1.526e+03 (atom 1774)
Step 4888, Epot=-2.393407e+05, Fnorm=2.911e+02, Fmax=2.179e+03 (atom 4498)
Step 4889, Epot=-2.393415e+05, Fnorm=2.867e+02, Fmax=1.655e+03 (atom 1516)
Step 4890, Epot=-2.393424e+05, Fnorm=2.865e+02, Fmax=2.278e+03 (atom 1774)
Step 4891, Epot=-2.393432e+05, Fnorm=2.772e+02, Fmax=1.621e+03 (atom 6112)
Step 4892, Epot=-2.393441e+05, Fnorm=2.783e+02, Fmax=1.827e+03 (atom 1510)
Step 4893, Epot=-2.393449e+05, Fnorm=2.833e+02, Fmax=2.071e+03 (atom 3574)
Step 4894, Epot=-2.393457e+05, Fnorm=2.846e+02, Fmax=1.660e+03 (atom 3310)
Step 4895, Epot=-2.393466e+05, Fnorm=2.866e+02, Fmax=2.051e+03 (atom 3376)
Step 4896, Epot=-2.393474e+05, Fnorm=2.854e+02, Fmax=2.003e+03 (atom 1708)
Step 4897, Epot=-2.393481e+05, Fnorm=2.772e+02, Fmax=1.545e+03 (atom 586)
Step 4898, Epot=-2.393489e+05, Fnorm=2.792e+02, Fmax=1.545e+03 (atom 586)
Step 4899, Epot=-2.393497e+05, Fnorm=2.877e+02, Fmax=1.938e+03 (atom 466)
Step 4900, Epot=-2.393740e+05, Fnorm=2.892e+02, Fmax=1.935e+03 (atom 862)
Step 4901, Epot=-2.393747e+05, Fnorm=2.867e+02, Fmax=1.699e+03 (atom 3856)
Step 4902, Epot=-2.393755e+05, Fnorm=2.851e+02, Fmax=1.765e+03 (atom 4156)
Step 4903, Epot=-2.393528e+05, Fnorm=2.816e+02, Fmax=1.764e+03 (atom 4318)
Step 4904, Epot=-2.393535e+05, Fnorm=2.831e+02, Fmax=1.999e+03 (atom 1708)
Step 4905, Epot=-2.393543e+05, Fnorm=2.851e+02, Fmax=1.774e+03 (atom 1774)
Step 4906, Epot=-2.393551e+05, Fnorm=2.841e+02, Fmax=1.631e+03 (atom 1192)
Step 4907, Epot=-2.393559e+05, Fnorm=2.929e+02, Fmax=2.079e+03 (atom 3574)
Step 4908, Epot=-2.393568e+05, Fnorm=2.825e+02, Fmax=1.534e+03 (atom 1774)
Step 4909, Epot=-2.393575e+05, Fnorm=2.836e+02, Fmax=1.723e+03 (atom 4498)
Step 4910, Epot=-2.393583e+05, Fnorm=2.865e+02, Fmax=1.772e+03 (atom 4264)
Step 4911, Epot=-2.393591e+05, Fnorm=2.833e+02, Fmax=1.626e+03 (atom 6082)
Step 4912, Epot=-2.393598e+05, Fnorm=2.813e+02, Fmax=1.655e+03 (atom 5956)
Step 4913, Epot=-2.393605e+05, Fnorm=2.813e+02, Fmax=1.618e+03 (atom 2596)
Step 4914, Epot=-2.393613e+05, Fnorm=2.853e+02, Fmax=1.986e+03 (atom 2770)
Step 4915, Epot=-2.393621e+05, Fnorm=2.908e+02, Fmax=1.985e+03 (atom 2770)
Step 4916, Epot=-2.393629e+05, Fnorm=2.863e+02, Fmax=1.773e+03 (atom 3130)
Step 4917, Epot=-2.393638e+05, Fnorm=2.865e+02, Fmax=1.770e+03 (atom 3130)
Step 4918, Epot=-2.393646e+05, Fnorm=2.895e+02, Fmax=2.147e+03 (atom 5878)
Step 4919, Epot=-2.393654e+05, Fnorm=2.862e+02, Fmax=1.750e+03 (atom 562)
Step 4920, Epot=-2.393660e+05, Fnorm=2.765e+02, Fmax=1.415e+03 (atom 292)
Step 4921, Epot=-2.393668e+05, Fnorm=2.737e+02, Fmax=1.980e+03 (atom 2770)
Step 4922, Epot=-2.393675e+05, Fnorm=2.854e+02, Fmax=1.652e+03 (atom 3310)
Step 4923, Epot=-2.393682e+05, Fnorm=2.765e+02, Fmax=1.557e+03 (atom 2044)
Step 4924, Epot=-2.393689e+05, Fnorm=2.862e+02, Fmax=1.413e+03 (atom 952)
Step 4925, Epot=-2.393695e+05, Fnorm=2.866e+02, Fmax=1.553e+03 (atom 6064)
Step 4926, Epot=-2.393702e+05, Fnorm=2.784e+02, Fmax=1.665e+03 (atom 1516)
Step 4927, Epot=-2.393708e+05, Fnorm=2.819e+02, Fmax=2.071e+03 (atom 4030)
Step 4928, Epot=-2.393715e+05, Fnorm=2.840e+02, Fmax=1.621e+03 (atom 4228)
Step 4929, Epot=-2.393722e+05, Fnorm=2.930e+02, Fmax=1.859e+03 (atom 4912)
Step 4930, Epot=-2.393729e+05, Fnorm=2.807e+02, Fmax=1.960e+03 (atom 862)
Step 4931, Epot=-2.393736e+05, Fnorm=2.851e+02, Fmax=2.132e+03 (atom 4564)
Step 4932, Epot=-2.393743e+05, Fnorm=2.892e+02, Fmax=1.697e+03 (atom 664)
Step 4933, Epot=-2.393751e+05, Fnorm=2.857e+02, Fmax=2.109e+03 (atom 664)
Step 4934, Epot=-2.393757e+05, Fnorm=2.858e+02, Fmax=1.806e+03 (atom 826)
Step 4935, Epot=-2.393764e+05, Fnorm=2.814e+02, Fmax=1.495e+03 (atom 2710)
Step 4936, Epot=-2.393771e+05, Fnorm=2.815e+02, Fmax=2.066e+03 (atom 3376)
Step 4937, Epot=-2.393777e+05, Fnorm=2.776e+02, Fmax=1.606e+03 (atom 2596)
Step 4938, Epot=-2.393783e+05, Fnorm=2.895e+02, Fmax=1.606e+03 (atom 2596)
Step 4939, Epot=-2.393790e+05, Fnorm=2.877e+02, Fmax=1.535e+03 (atom 5350)
Step 4940, Epot=-2.393797e+05, Fnorm=2.789e+02, Fmax=1.883e+03 (atom 562)
Step 4941, Epot=-2.393804e+05, Fnorm=2.837e+02, Fmax=1.701e+03 (atom 3088)
Step 4942, Epot=-2.393811e+05, Fnorm=2.895e+02, Fmax=1.702e+03 (atom 3088)
Step 4943, Epot=-2.393817e+05, Fnorm=2.839e+02, Fmax=1.491e+03 (atom 4030)
Step 4944, Epot=-2.393823e+05, Fnorm=2.844e+02, Fmax=1.658e+03 (atom 5878)
Step 4945, Epot=-2.393830e+05, Fnorm=2.898e+02, Fmax=1.958e+03 (atom 5350)
Step 4946, Epot=-2.393837e+05, Fnorm=2.805e+02, Fmax=1.640e+03 (atom 4156)
Step 4947, Epot=-2.393844e+05, Fnorm=2.896e+02, Fmax=1.591e+03 (atom 1642)
Step 4948, Epot=-2.393850e+05, Fnorm=2.959e+02, Fmax=1.824e+03 (atom 5218)
Step 4949, Epot=-2.393858e+05, Fnorm=2.842e+02, Fmax=1.751e+03 (atom 3508)
Step 4950, Epot=-2.393865e+05, Fnorm=2.831e+02, Fmax=1.536e+03 (atom 3910)
Step 4951, Epot=-2.393871e+05, Fnorm=2.815e+02, Fmax=1.534e+03 (atom 562)
Step 4952, Epot=-2.393878e+05, Fnorm=2.833e+02, Fmax=1.638e+03 (atom 4030)
Step 4953, Epot=-2.393884e+05, Fnorm=2.809e+02, Fmax=1.748e+03 (atom 1516)
Step 4954, Epot=-2.393891e+05, Fnorm=2.832e+02, Fmax=1.657e+03 (atom 1906)
Step 4955, Epot=-2.393898e+05, Fnorm=2.844e+02, Fmax=2.048e+03 (atom 5944)
Step 4956, Epot=-2.393904e+05, Fnorm=2.858e+02, Fmax=1.694e+03 (atom 1504)
Step 4957, Epot=-2.393911e+05, Fnorm=2.809e+02, Fmax=1.631e+03 (atom 3454)
Step 4958, Epot=-2.393918e+05, Fnorm=2.882e+02, Fmax=1.970e+03 (atom 5350)
Step 4959, Epot=-2.393924e+05, Fnorm=2.814e+02, Fmax=1.720e+03 (atom 3574)
Step 4960, Epot=-2.393930e+05, Fnorm=2.851e+02, Fmax=1.962e+03 (atom 862)
Step 4961, Epot=-2.393936e+05, Fnorm=2.852e+02, Fmax=1.593e+03 (atom 2044)
Step 4962, Epot=-2.393942e+05, Fnorm=2.810e+02, Fmax=2.083e+03 (atom 3508)
Step 4963, Epot=-2.393948e+05, Fnorm=2.843e+02, Fmax=1.723e+03 (atom 1768)
Step 4964, Epot=-2.393953e+05, Fnorm=2.835e+02, Fmax=1.723e+03 (atom 1768)
Step 4965, Epot=-2.393959e+05, Fnorm=2.812e+02, Fmax=1.684e+03 (atom 994)
Step 4966, Epot=-2.393965e+05, Fnorm=2.779e+02, Fmax=1.582e+03 (atom 1780)
Step 4967, Epot=-2.393970e+05, Fnorm=2.829e+02, Fmax=2.055e+03 (atom 1330)
Step 4968, Epot=-2.393975e+05, Fnorm=2.795e+02, Fmax=1.690e+03 (atom 2854)
Step 4969, Epot=-2.393980e+05, Fnorm=2.792e+02, Fmax=1.651e+03 (atom 1774)
Step 4970, Epot=-2.393985e+05, Fnorm=2.846e+02, Fmax=1.595e+03 (atom 4630)
Step 4971, Epot=-2.393991e+05, Fnorm=2.830e+02, Fmax=1.571e+03 (atom 4228)
Step 4972, Epot=-2.394231e+05, Fnorm=2.857e+02, Fmax=1.450e+03 (atom 3910)
Step 4973, Epot=-2.394236e+05, Fnorm=2.915e+02, Fmax=1.679e+03 (atom 3856)
Step 4974, Epot=-2.394242e+05, Fnorm=2.849e+02, Fmax=1.651e+03 (atom 4552)
Step 4975, Epot=-2.394248e+05, Fnorm=2.805e+02, Fmax=1.536e+03 (atom 5818)
Step 4976, Epot=-2.394254e+05, Fnorm=2.877e+02, Fmax=1.722e+03 (atom 1516)
Step 4977, Epot=-2.394259e+05, Fnorm=2.794e+02, Fmax=1.422e+03 (atom 1900)
Step 4978, Epot=-2.394265e+05, Fnorm=2.799e+02, Fmax=1.615e+03 (atom 4156)
Step 4979, Epot=-2.394270e+05, Fnorm=2.915e+02, Fmax=1.526e+03 (atom 2848)
Step 4980, Epot=-2.394276e+05, Fnorm=2.874e+02, Fmax=1.607e+03 (atom 1780)
Step 4981, Epot=-2.394281e+05, Fnorm=2.834e+02, Fmax=1.683e+03 (atom 5284)
Step 4982, Epot=-2.394287e+05, Fnorm=2.902e+02, Fmax=1.724e+03 (atom 1516)
Step 4983, Epot=-2.394292e+05, Fnorm=2.860e+02, Fmax=1.615e+03 (atom 1840)
Step 4984, Epot=-2.394298e+05, Fnorm=2.747e+02, Fmax=1.417e+03 (atom 3202)
Step 4985, Epot=-2.394304e+05, Fnorm=2.808e+02, Fmax=2.068e+03 (atom 2194)
Step 4986, Epot=-2.394310e+05, Fnorm=2.833e+02, Fmax=2.043e+03 (atom 664)
Step 4987, Epot=-2.394315e+05, Fnorm=2.841e+02, Fmax=1.881e+03 (atom 2836)
Step 4988, Epot=-2.394321e+05, Fnorm=2.859e+02, Fmax=1.836e+03 (atom 1768)
Step 4989, Epot=-2.394328e+05, Fnorm=2.918e+02, Fmax=1.788e+03 (atom 922)
Step 4990, Epot=-2.394334e+05, Fnorm=2.843e+02, Fmax=1.688e+03 (atom 3724)
Step 4991, Epot=-2.394341e+05, Fnorm=2.853e+02, Fmax=1.600e+03 (atom 2596)
Step 4992, Epot=-2.394346e+05, Fnorm=2.770e+02, Fmax=1.599e+03 (atom 2596)
Step 4993, Epot=-2.394351e+05, Fnorm=2.760e+02, Fmax=1.680e+03 (atom 5296)
Step 4994, Epot=-2.394357e+05, Fnorm=2.778e+02, Fmax=1.625e+03 (atom 5956)
Step 4995, Epot=-2.394362e+05, Fnorm=2.819e+02, Fmax=1.485e+03 (atom 784)
Step 4996, Epot=-2.394368e+05, Fnorm=2.851e+02, Fmax=1.943e+03 (atom 4264)
Step 4997, Epot=-2.394374e+05, Fnorm=2.877e+02, Fmax=1.623e+03 (atom 1516)
Step 4998, Epot=-2.394379e+05, Fnorm=2.931e+02, Fmax=1.715e+03 (atom 3310)
Step 4999, Epot=-2.394385e+05, Fnorm=2.864e+02, Fmax=1.653e+03 (atom 3304)
Step 5000, Epot=-2.394391e+05, Fnorm=2.810e+02, Fmax=1.716e+03 (atom 4228)
Step 5001, Epot=-2.394397e+05, Fnorm=2.811e+02, Fmax=2.081e+03 (atom 4030)
Step 5002, Epot=-2.394402e+05, Fnorm=2.845e+02, Fmax=2.081e+03 (atom 4030)
Step 5003, Epot=-2.394408e+05, Fnorm=2.876e+02, Fmax=1.721e+03 (atom 3574)
Step 5004, Epot=-2.394414e+05, Fnorm=2.829e+02, Fmax=2.393e+03 (atom 2770)
Step 5005, Epot=-2.394420e+05, Fnorm=2.808e+02, Fmax=1.456e+03 (atom 334)
Step 5006, Epot=-2.394426e+05, Fnorm=2.851e+02, Fmax=1.628e+03 (atom 4630)
Step 5007, Epot=-2.394431e+05, Fnorm=2.896e+02, Fmax=1.776e+03 (atom 5296)
Step 5008, Epot=-2.394437e+05, Fnorm=2.818e+02, Fmax=1.518e+03 (atom 562)
Step 5009, Epot=-2.394443e+05, Fnorm=2.704e+02, Fmax=1.745e+03 (atom 370)
Step 5010, Epot=-2.394447e+05, Fnorm=2.711e+02, Fmax=1.652e+03 (atom 1780)
Step 5011, Epot=-2.394452e+05, Fnorm=2.798e+02, Fmax=1.652e+03 (atom 1780)
Step 5012, Epot=-2.394457e+05, Fnorm=2.838e+02, Fmax=1.715e+03 (atom 3574)
Step 5013, Epot=-2.394463e+05, Fnorm=2.810e+02, Fmax=1.561e+03 (atom 3910)
Step 5014, Epot=-2.394468e+05, Fnorm=2.943e+02, Fmax=1.714e+03 (atom 3310)
Step 5015, Epot=-2.394474e+05, Fnorm=2.866e+02, Fmax=1.645e+03 (atom 5290)
Step 5016, Epot=-2.394479e+05, Fnorm=2.805e+02, Fmax=1.622e+03 (atom 3310)
Step 5017, Epot=-2.394485e+05, Fnorm=2.807e+02, Fmax=1.621e+03 (atom 6010)
Step 5018, Epot=-2.394490e+05, Fnorm=2.868e+02, Fmax=1.796e+03 (atom 922)
Step 5019, Epot=-2.394496e+05, Fnorm=2.813e+02, Fmax=1.505e+03 (atom 2854)
Step 5020, Epot=-2.394501e+05, Fnorm=2.843e+02, Fmax=1.501e+03 (atom 5434)
Step 5021, Epot=-2.394506e+05, Fnorm=2.933e+02, Fmax=2.163e+03 (atom 4498)
Step 5022, Epot=-2.394512e+05, Fnorm=2.861e+02, Fmax=1.851e+03 (atom 5878)
Step 5023, Epot=-2.394518e+05, Fnorm=2.817e+02, Fmax=1.558e+03 (atom 3910)
Step 5024, Epot=-2.394523e+05, Fnorm=2.823e+02, Fmax=1.549e+03 (atom 3934)
Step 5025, Epot=-2.394529e+05, Fnorm=2.860e+02, Fmax=1.733e+03 (atom 5008)
Step 5026, Epot=-2.394535e+05, Fnorm=2.871e+02, Fmax=1.534e+03 (atom 2044)
Step 5027, Epot=-2.394541e+05, Fnorm=2.855e+02, Fmax=1.722e+03 (atom 4498)
Step 5028, Epot=-2.394546e+05, Fnorm=2.837e+02, Fmax=1.506e+03 (atom 5434)
Step 5029, Epot=-2.394551e+05, Fnorm=2.779e+02, Fmax=1.563e+03 (atom 1330)
Step 5030, Epot=-2.394556e+05, Fnorm=2.854e+02, Fmax=1.596e+03 (atom 3910)
Step 5031, Epot=-2.394562e+05, Fnorm=2.844e+02, Fmax=1.500e+03 (atom 2908)
Step 5032, Epot=-2.394570e+05, Fnorm=2.876e+02, Fmax=1.727e+03 (atom 586)
Step 5033, Epot=-2.394575e+05, Fnorm=2.871e+02, Fmax=2.151e+03 (atom 4498)
Step 5034, Epot=-2.394581e+05, Fnorm=2.839e+02, Fmax=1.495e+03 (atom 5194)
Step 5035, Epot=-2.394588e+05, Fnorm=2.884e+02, Fmax=2.156e+03 (atom 2836)
Step 5036, Epot=-2.394593e+05, Fnorm=2.818e+02, Fmax=1.659e+03 (atom 4156)
Step 5037, Epot=-2.394599e+05, Fnorm=2.880e+02, Fmax=1.823e+03 (atom 1510)
Step 5038, Epot=-2.394606e+05, Fnorm=2.878e+02, Fmax=1.859e+03 (atom 4264)
Step 5039, Epot=-2.394612e+05, Fnorm=2.949e+02, Fmax=2.117e+03 (atom 2326)
Step 5040, Epot=-2.394619e+05, Fnorm=2.919e+02, Fmax=1.714e+03 (atom 4498)
Step 5041, Epot=-2.394626e+05, Fnorm=2.848e+02, Fmax=1.951e+03 (atom 562)
Step 5042, Epot=-2.394631e+05, Fnorm=2.810e+02, Fmax=1.673e+03 (atom 4630)
Step 5043, Epot=-2.394637e+05, Fnorm=2.776e+02, Fmax=1.693e+03 (atom 3724)
Step 5044, Epot=-2.394642e+05, Fnorm=2.867e+02, Fmax=1.817e+03 (atom 5014)
Step 5045, Epot=-2.394648e+05, Fnorm=2.905e+02, Fmax=1.856e+03 (atom 1774)
Step 5046, Epot=-2.394654e+05, Fnorm=2.801e+02, Fmax=1.723e+03 (atom 1768)
Step 5047, Epot=-2.394659e+05, Fnorm=2.887e+02, Fmax=2.570e+03 (atom 5878)
Step 5048, Epot=-2.394664e+05, Fnorm=2.823e+02, Fmax=1.581e+03 (atom 916)
Step 5049, Epot=-2.394669e+05, Fnorm=2.819e+02, Fmax=1.652e+03 (atom 4030)
Step 5050, Epot=-2.394674e+05, Fnorm=2.851e+02, Fmax=1.678e+03 (atom 4630)
Step 5051, Epot=-2.394679e+05, Fnorm=2.912e+02, Fmax=1.497e+03 (atom 2392)
Step 5052, Epot=-2.394685e+05, Fnorm=2.909e+02, Fmax=1.464e+03 (atom 454)
Step 5053, Epot=-2.394691e+05, Fnorm=2.847e+02, Fmax=1.556e+03 (atom 2044)
Step 5054, Epot=-2.394696e+05, Fnorm=2.811e+02, Fmax=1.988e+03 (atom 928)
Step 5055, Epot=-2.394701e+05, Fnorm=2.844e+02, Fmax=1.731e+03 (atom 5686)
Step 5056, Epot=-2.394707e+05, Fnorm=2.792e+02, Fmax=1.884e+03 (atom 5878)
Step 5057, Epot=-2.394712e+05, Fnorm=2.897e+02, Fmax=1.958e+03 (atom 1708)
Step 5058, Epot=-2.394717e+05, Fnorm=2.851e+02, Fmax=1.958e+03 (atom 1708)
Step 5059, Epot=-2.394722e+05, Fnorm=2.837e+02, Fmax=1.919e+03 (atom 5218)
Step 5060, Epot=-2.394728e+05, Fnorm=2.782e+02, Fmax=1.770e+03 (atom 562)
Step 5061, Epot=-2.394733e+05, Fnorm=2.840e+02, Fmax=1.749e+03 (atom 370)
Step 5062, Epot=-2.394738e+05, Fnorm=2.803e+02, Fmax=1.550e+03 (atom 2044)
Step 5063, Epot=-2.394744e+05, Fnorm=2.800e+02, Fmax=1.646e+03 (atom 3310)
Step 5064, Epot=-2.394748e+05, Fnorm=2.768e+02, Fmax=1.620e+03 (atom 1780)
Step 5065, Epot=-2.394753e+05, Fnorm=2.825e+02, Fmax=1.774e+03 (atom 1192)
Step 5066, Epot=-2.394759e+05, Fnorm=2.841e+02, Fmax=1.680e+03 (atom 3574)
Step 5067, Epot=-2.394765e+05, Fnorm=2.850e+02, Fmax=2.164e+03 (atom 4498)
Step 5068, Epot=-2.394769e+05, Fnorm=2.869e+02, Fmax=2.031e+03 (atom 4330)
Step 5069, Epot=-2.394774e+05, Fnorm=2.830e+02, Fmax=1.986e+03 (atom 2968)
Step 5070, Epot=-2.394779e+05, Fnorm=2.837e+02, Fmax=1.558e+03 (atom 6010)
Step 5071, Epot=-2.394784e+05, Fnorm=2.842e+02, Fmax=1.824e+03 (atom 562)
Step 5072, Epot=-2.394789e+05, Fnorm=2.796e+02, Fmax=1.595e+03 (atom 2392)
Step 5073, Epot=-2.394794e+05, Fnorm=2.861e+02, Fmax=1.630e+03 (atom 6082)
Step 5074, Epot=-2.394798e+05, Fnorm=2.925e+02, Fmax=1.624e+03 (atom 3304)
Step 5075, Epot=-2.394803e+05, Fnorm=2.935e+02, Fmax=2.080e+03 (atom 4030)
Step 5076, Epot=-2.394808e+05, Fnorm=2.844e+02, Fmax=2.021e+03 (atom 4330)
Step 5077, Epot=-2.394813e+05, Fnorm=2.778e+02, Fmax=1.726e+03 (atom 5686)
Step 5078, Epot=-2.394818e+05, Fnorm=2.844e+02, Fmax=1.676e+03 (atom 5080)
Step 5079, Epot=-2.394823e+05, Fnorm=2.875e+02, Fmax=1.582e+03 (atom 3184)
Step 5080, Epot=-2.394828e+05, Fnorm=2.876e+02, Fmax=1.648e+03 (atom 5290)
Step 5081, Epot=-2.394833e+05, Fnorm=2.879e+02, Fmax=1.774e+03 (atom 1516)
Step 5082, Epot=-2.394839e+05, Fnorm=2.852e+02, Fmax=1.746e+03 (atom 370)
Step 5083, Epot=-2.394842e+05, Fnorm=2.823e+02, Fmax=1.913e+03 (atom 5350)
Step 5084, Epot=-2.394848e+05, Fnorm=2.808e+02, Fmax=1.694e+03 (atom 664)
Step 5085, Epot=-2.394852e+05, Fnorm=2.821e+02, Fmax=1.620e+03 (atom 2596)
Step 5086, Epot=-2.394857e+05, Fnorm=2.807e+02, Fmax=1.548e+03 (atom 5956)
Step 5087, Epot=-2.394862e+05, Fnorm=2.883e+02, Fmax=1.820e+03 (atom 1510)
Step 5088, Epot=-2.394867e+05, Fnorm=2.836e+02, Fmax=1.585e+03 (atom 4498)
Step 5089, Epot=-2.394871e+05, Fnorm=2.845e+02, Fmax=1.708e+03 (atom 2836)
Step 5090, Epot=-2.394875e+05, Fnorm=2.789e+02, Fmax=1.911e+03 (atom 5350)
Step 5091, Epot=-2.394881e+05, Fnorm=2.832e+02, Fmax=1.643e+03 (atom 4156)
Step 5092, Epot=-2.394885e+05, Fnorm=2.895e+02, Fmax=1.556e+03 (atom 4684)
Step 5093, Epot=-2.394889e+05, Fnorm=2.803e+02, Fmax=2.030e+03 (atom 3376)
Step 5094, Epot=-2.394894e+05, Fnorm=2.843e+02, Fmax=1.648e+03 (atom 1906)
Step 5095, Epot=-2.394899e+05, Fnorm=2.830e+02, Fmax=1.720e+03 (atom 5548)
Step 5096, Epot=-2.394903e+05, Fnorm=2.828e+02, Fmax=1.830e+03 (atom 5014)
Step 5097, Epot=-2.394908e+05, Fnorm=2.814e+02, Fmax=1.818e+03 (atom 4318)
Step 5098, Epot=-2.394913e+05, Fnorm=2.837e+02, Fmax=1.915e+03 (atom 1972)
Step 5099, Epot=-2.394919e+05, Fnorm=2.841e+02, Fmax=1.914e+03 (atom 1972)
Step 5100, Epot=-2.394923e+05, Fnorm=2.804e+02, Fmax=1.993e+03 (atom 3316)
Step 5101, Epot=-2.394929e+05, Fnorm=2.842e+02, Fmax=1.604e+03 (atom 4996)
Step 5102, Epot=-2.394934e+05, Fnorm=2.938e+02, Fmax=2.041e+03 (atom 2194)
Step 5103, Epot=-2.394940e+05, Fnorm=2.814e+02, Fmax=1.601e+03 (atom 3310)
Step 5104, Epot=-2.394946e+05, Fnorm=2.829e+02, Fmax=1.595e+03 (atom 2596)
Step 5105, Epot=-2.394952e+05, Fnorm=2.871e+02, Fmax=1.567e+03 (atom 1840)
Step 5106, Epot=-2.394958e+05, Fnorm=2.819e+02, Fmax=2.077e+03 (atom 4564)
Step 5107, Epot=-2.394963e+05, Fnorm=2.840e+02, Fmax=1.900e+03 (atom 5350)
Step 5108, Epot=-2.394968e+05, Fnorm=2.800e+02, Fmax=1.562e+03 (atom 3046)
Step 5109, Epot=-2.394973e+05, Fnorm=2.743e+02, Fmax=1.580e+03 (atom 5674)
Step 5110, Epot=-2.394978e+05, Fnorm=2.760e+02, Fmax=1.451e+03 (atom 4936)
Step 5111, Epot=-2.394982e+05, Fnorm=2.798e+02, Fmax=1.450e+03 (atom 1576)
Step 5112, Epot=-2.394987e+05, Fnorm=2.886e+02, Fmax=1.604e+03 (atom 916)
Step 5113, Epot=-2.394992e+05, Fnorm=2.907e+02, Fmax=1.942e+03 (atom 562)
Step 5114, Epot=-2.394997e+05, Fnorm=2.843e+02, Fmax=1.453e+03 (atom 4336)
Step 5115, Epot=-2.395003e+05, Fnorm=2.842e+02, Fmax=1.652e+03 (atom 5290)
Step 5116, Epot=-2.395008e+05, Fnorm=2.882e+02, Fmax=1.711e+03 (atom 1066)
Step 5117, Epot=-2.395014e+05, Fnorm=2.851e+02, Fmax=1.508e+03 (atom 1354)
Step 5118, Epot=-2.395020e+05, Fnorm=2.842e+02, Fmax=1.529e+03 (atom 466)
Step 5119, Epot=-2.395026e+05, Fnorm=2.902e+02, Fmax=1.603e+03 (atom 1192)
Step 5120, Epot=-2.395031e+05, Fnorm=2.829e+02, Fmax=1.802e+03 (atom 4912)
Step 5121, Epot=-2.395036e+05, Fnorm=2.853e+02, Fmax=1.804e+03 (atom 4912)
Step 5122, Epot=-2.395042e+05, Fnorm=2.858e+02, Fmax=1.659e+03 (atom 562)
Step 5123, Epot=-2.395047e+05, Fnorm=2.844e+02, Fmax=1.892e+03 (atom 4264)
Step 5124, Epot=-2.395051e+05, Fnorm=2.780e+02, Fmax=1.588e+03 (atom 3910)
Step 5125, Epot=-2.395057e+05, Fnorm=2.815e+02, Fmax=1.760e+03 (atom 3130)
Step 5126, Epot=-2.395061e+05, Fnorm=2.838e+02, Fmax=2.033e+03 (atom 4030)
Step 5127, Epot=-2.395065e+05, Fnorm=2.836e+02, Fmax=1.846e+03 (atom 2836)
Step 5128, Epot=-2.395070e+05, Fnorm=2.815e+02, Fmax=1.546e+03 (atom 3256)
Step 5129, Epot=-2.395074e+05, Fnorm=2.901e+02, Fmax=1.780e+03 (atom 5692)
Step 5130, Epot=-2.395079e+05, Fnorm=2.936e+02, Fmax=1.660e+03 (atom 664)
Step 5131, Epot=-2.395085e+05, Fnorm=2.901e+02, Fmax=1.570e+03 (atom 5422)
Step 5132, Epot=-2.395090e+05, Fnorm=2.891e+02, Fmax=1.907e+03 (atom 5218)
Step 5133, Epot=-2.395096e+05, Fnorm=2.868e+02, Fmax=1.428e+03 (atom 5938)
Step 5134, Epot=-2.395101e+05, Fnorm=2.834e+02, Fmax=1.906e+03 (atom 5878)
Step 5135, Epot=-2.395107e+05, Fnorm=2.797e+02, Fmax=1.607e+03 (atom 5602)
Step 5136, Epot=-2.395112e+05, Fnorm=2.846e+02, Fmax=1.629e+03 (atom 304)
Step 5137, Epot=-2.395118e+05, Fnorm=2.871e+02, Fmax=1.568e+03 (atom 3310)
Step 5138, Epot=-2.395123e+05, Fnorm=2.741e+02, Fmax=1.626e+03 (atom 5014)
Step 5139, Epot=-2.395128e+05, Fnorm=2.812e+02, Fmax=1.757e+03 (atom 5548)
Step 5140, Epot=-2.395132e+05, Fnorm=2.799e+02, Fmax=2.058e+03 (atom 2194)
Step 5141, Epot=-2.395138e+05, Fnorm=2.813e+02, Fmax=2.024e+03 (atom 4030)
Step 5142, Epot=-2.395142e+05, Fnorm=2.796e+02, Fmax=2.098e+03 (atom 4564)
Step 5143, Epot=-2.395148e+05, Fnorm=2.923e+02, Fmax=1.755e+03 (atom 928)
Step 5144, Epot=-2.395152e+05, Fnorm=2.856e+02, Fmax=1.658e+03 (atom 664)
Step 5145, Epot=-2.395157e+05, Fnorm=2.771e+02, Fmax=1.513e+03 (atom 3958)
Step 5146, Epot=-2.395162e+05, Fnorm=2.804e+02, Fmax=1.845e+03 (atom 562)
Step 5147, Epot=-2.395167e+05, Fnorm=2.885e+02, Fmax=1.848e+03 (atom 5422)
Step 5148, Epot=-2.395172e+05, Fnorm=2.885e+02, Fmax=1.651e+03 (atom 6160)
Step 5149, Epot=-2.395177e+05, Fnorm=2.849e+02, Fmax=1.704e+03 (atom 4228)
Step 5150, Epot=-2.395182e+05, Fnorm=2.828e+02, Fmax=1.596e+03 (atom 3310)
Step 5151, Epot=-2.395188e+05, Fnorm=2.880e+02, Fmax=1.660e+03 (atom 4630)
Step 5152, Epot=-2.395194e+05, Fnorm=2.798e+02, Fmax=1.659e+03 (atom 4630)
Step 5153, Epot=-2.395199e+05, Fnorm=2.817e+02, Fmax=1.515e+03 (atom 5434)
Step 5154, Epot=-2.395205e+05, Fnorm=2.831e+02, Fmax=2.035e+03 (atom 4030)
Step 5155, Epot=-2.395210e+05, Fnorm=2.822e+02, Fmax=1.602e+03 (atom 5608)
Step 5156, Epot=-2.395216e+05, Fnorm=2.800e+02, Fmax=1.832e+03 (atom 928)
Step 5157, Epot=-2.395221e+05, Fnorm=2.832e+02, Fmax=1.569e+03 (atom 6112)
Step 5158, Epot=-2.395226e+05, Fnorm=2.895e+02, Fmax=2.047e+03 (atom 4330)
Step 5159, Epot=-2.395232e+05, Fnorm=2.820e+02, Fmax=1.956e+03 (atom 1708)
Step 5160, Epot=-2.395238e+05, Fnorm=2.871e+02, Fmax=1.563e+03 (atom 3964)
Step 5161, Epot=-2.395244e+05, Fnorm=2.890e+02, Fmax=1.627e+03 (atom 4030)
Step 5162, Epot=-2.395249e+05, Fnorm=2.860e+02, Fmax=1.969e+03 (atom 2770)
Step 5163, Epot=-2.395255e+05, Fnorm=2.839e+02, Fmax=1.506e+03 (atom 3304)
Step 5164, Epot=-2.395261e+05, Fnorm=2.923e+02, Fmax=1.675e+03 (atom 2848)
Step 5165, Epot=-2.395267e+05, Fnorm=2.954e+02, Fmax=2.211e+03 (atom 4156)
Step 5166, Epot=-2.395273e+05, Fnorm=2.872e+02, Fmax=1.659e+03 (atom 1906)
Step 5167, Epot=-2.395280e+05, Fnorm=2.945e+02, Fmax=2.094e+03 (atom 5944)
Step 5168, Epot=-2.395287e+05, Fnorm=2.978e+02, Fmax=2.595e+03 (atom 2836)
Step 5169, Epot=-2.395294e+05, Fnorm=2.910e+02, Fmax=1.724e+03 (atom 3310)
Step 5170, Epot=-2.395301e+05, Fnorm=2.765e+02, Fmax=1.396e+03 (atom 2902)
Step 5171, Epot=-2.395307e+05, Fnorm=2.884e+02, Fmax=1.772e+03 (atom 1336)
Step 5172, Epot=-2.395313e+05, Fnorm=2.865e+02, Fmax=1.473e+03 (atom 5698)
Step 5173, Epot=-2.395320e+05, Fnorm=2.842e+02, Fmax=2.195e+03 (atom 3898)
Step 5174, Epot=-2.395326e+05, Fnorm=2.909e+02, Fmax=1.760e+03 (atom 3508)
Step 5175, Epot=-2.395332e+05, Fnorm=2.846e+02, Fmax=1.568e+03 (atom 916)
Step 5176, Epot=-2.395340e+05, Fnorm=2.812e+02, Fmax=1.547e+03 (atom 3724)
Step 5177, Epot=-2.395346e+05, Fnorm=2.819e+02, Fmax=1.850e+03 (atom 3316)
Step 5178, Epot=-2.395352e+05, Fnorm=2.840e+02, Fmax=2.097e+03 (atom 1330)
Step 5179, Epot=-2.395359e+05, Fnorm=2.793e+02, Fmax=1.685e+03 (atom 988)
Step 5180, Epot=-2.395367e+05, Fnorm=2.898e+02, Fmax=1.611e+03 (atom 3310)
Step 5181, Epot=-2.395374e+05, Fnorm=2.828e+02, Fmax=1.622e+03 (atom 4690)
Step 5182, Epot=-2.395381e+05, Fnorm=2.864e+02, Fmax=1.584e+03 (atom 2392)
Step 5183, Epot=-2.395387e+05, Fnorm=2.849e+02, Fmax=1.909e+03 (atom 3898)
Step 5184, Epot=-2.395395e+05, Fnorm=2.808e+02, Fmax=1.430e+03 (atom 4756)
Step 5185, Epot=-2.395402e+05, Fnorm=2.859e+02, Fmax=1.497e+03 (atom 1402)
Step 5186, Epot=-2.395410e+05, Fnorm=2.869e+02, Fmax=1.804e+03 (atom 922)
Step 5187, Epot=-2.395417e+05, Fnorm=2.864e+02, Fmax=1.547e+03 (atom 3910)
Step 5188, Epot=-2.395424e+05, Fnorm=2.873e+02, Fmax=1.632e+03 (atom 3310)
Step 5189, Epot=-2.395430e+05, Fnorm=2.823e+02, Fmax=1.763e+03 (atom 4156)
Step 5190, Epot=-2.395437e+05, Fnorm=2.832e+02, Fmax=1.975e+03 (atom 826)
Step 5191, Epot=-2.395444e+05, Fnorm=2.792e+02, Fmax=1.848e+03 (atom 562)
Step 5192, Epot=-2.395449e+05, Fnorm=2.834e+02, Fmax=1.804e+03 (atom 922)
Step 5193, Epot=-2.395456e+05, Fnorm=2.846e+02, Fmax=1.656e+03 (atom 562)
Step 5194, Epot=-2.395463e+05, Fnorm=2.932e+02, Fmax=1.585e+03 (atom 5200)
Step 5195, Epot=-2.395470e+05, Fnorm=2.907e+02, Fmax=1.679e+03 (atom 4156)
Step 5196, Epot=-2.395477e+05, Fnorm=2.918e+02, Fmax=1.679e+03 (atom 4156)
Step 5197, Epot=-2.395485e+05, Fnorm=2.937e+02, Fmax=1.772e+03 (atom 1516)
Step 5198, Epot=-2.395492e+05, Fnorm=2.840e+02, Fmax=1.774e+03 (atom 1516)
Step 5199, Epot=-2.395501e+05, Fnorm=2.835e+02, Fmax=1.970e+03 (atom 2770)
Step 5200, Epot=-2.395509e+05, Fnorm=2.806e+02, Fmax=1.805e+03 (atom 922)
Step 5201, Epot=-2.395516e+05, Fnorm=2.894e+02, Fmax=1.630e+03 (atom 2044)
Step 5202, Epot=-2.395523e+05, Fnorm=2.800e+02, Fmax=1.629e+03 (atom 2044)
Step 5203, Epot=-2.395531e+05, Fnorm=2.791e+02, Fmax=2.267e+03 (atom 4156)
Step 5204, Epot=-2.395537e+05, Fnorm=2.876e+02, Fmax=2.268e+03 (atom 4156)
Step 5205, Epot=-2.395546e+05, Fnorm=2.867e+02, Fmax=1.559e+03 (atom 5428)
Step 5206, Epot=-2.395553e+05, Fnorm=2.877e+02, Fmax=1.832e+03 (atom 5812)
Step 5207, Epot=-2.395560e+05, Fnorm=2.827e+02, Fmax=1.629e+03 (atom 5290)
Step 5208, Epot=-2.395567e+05, Fnorm=2.851e+02, Fmax=1.663e+03 (atom 3310)
Step 5209, Epot=-2.395574e+05, Fnorm=2.871e+02, Fmax=2.127e+03 (atom 3574)
Step 5210, Epot=-2.395581e+05, Fnorm=2.853e+02, Fmax=2.211e+03 (atom 3898)
Step 5211, Epot=-2.395588e+05, Fnorm=2.913e+02, Fmax=1.595e+03 (atom 994)
Step 5212, Epot=-2.395596e+05, Fnorm=2.897e+02, Fmax=1.890e+03 (atom 5218)
Step 5213, Epot=-2.395605e+05, Fnorm=2.896e+02, Fmax=1.770e+03 (atom 3508)
Step 5214, Epot=-2.395614e+05, Fnorm=2.925e+02, Fmax=1.743e+03 (atom 1192)
Step 5215, Epot=-2.395623e+05, Fnorm=2.899e+02, Fmax=1.597e+03 (atom 2596)
Step 5216, Epot=-2.395631e+05, Fnorm=2.866e+02, Fmax=1.915e+03 (atom 826)
Step 5217, Epot=-2.395638e+05, Fnorm=2.820e+02, Fmax=1.537e+03 (atom 4912)
Step 5218, Epot=-2.395645e+05, Fnorm=2.845e+02, Fmax=2.207e+03 (atom 3898)
Step 5219, Epot=-2.395652e+05, Fnorm=2.809e+02, Fmax=1.860e+03 (atom 4264)
Step 5220, Epot=-2.395659e+05, Fnorm=2.889e+02, Fmax=1.949e+03 (atom 3442)
Step 5221, Epot=-2.395666e+05, Fnorm=2.983e+02, Fmax=2.089e+03 (atom 4030)
Step 5222, Epot=-2.395674e+05, Fnorm=2.928e+02, Fmax=2.091e+03 (atom 4564)
Step 5223, Epot=-2.395681e+05, Fnorm=2.845e+02, Fmax=1.581e+03 (atom 928)
Step 5224, Epot=-2.395688e+05, Fnorm=2.880e+02, Fmax=2.128e+03 (atom 1330)
Step 5225, Epot=-2.395695e+05, Fnorm=2.824e+02, Fmax=2.016e+03 (atom 5350)
Step 5226, Epot=-2.395702e+05, Fnorm=2.792e+02, Fmax=1.712e+03 (atom 2836)
Step 5227, Epot=-2.395709e+05, Fnorm=2.800e+02, Fmax=1.594e+03 (atom 1516)
Step 5228, Epot=-2.395716e+05, Fnorm=2.896e+02, Fmax=1.963e+03 (atom 1708)
Step 5229, Epot=-2.395723e+05, Fnorm=2.944e+02, Fmax=1.817e+03 (atom 922)
Step 5230, Epot=-2.395731e+05, Fnorm=2.911e+02, Fmax=2.010e+03 (atom 3376)
Step 5231, Epot=-2.395738e+05, Fnorm=2.822e+02, Fmax=1.660e+03 (atom 5878)
Step 5232, Epot=-2.395745e+05, Fnorm=2.777e+02, Fmax=1.484e+03 (atom 334)
Step 5233, Epot=-2.395751e+05, Fnorm=2.820e+02, Fmax=1.661e+03 (atom 3304)
Step 5234, Epot=-2.395757e+05, Fnorm=2.811e+02, Fmax=1.950e+03 (atom 2770)
Step 5235, Epot=-2.395763e+05, Fnorm=2.790e+02, Fmax=1.775e+03 (atom 562)
Step 5236, Epot=-2.395770e+05, Fnorm=2.878e+02, Fmax=2.017e+03 (atom 3376)
Step 5237, Epot=-2.395776e+05, Fnorm=2.849e+02, Fmax=1.632e+03 (atom 3442)
Step 5238, Epot=-2.395782e+05, Fnorm=2.827e+02, Fmax=1.826e+03 (atom 922)
Step 5239, Epot=-2.395788e+05, Fnorm=2.868e+02, Fmax=1.690e+03 (atom 3724)
Step 5240, Epot=-2.395792e+05, Fnorm=2.819e+02, Fmax=1.645e+03 (atom 916)
Step 5241, Epot=-2.395799e+05, Fnorm=2.809e+02, Fmax=1.656e+03 (atom 4228)
Step 5242, Epot=-2.395806e+05, Fnorm=2.821e+02, Fmax=1.861e+03 (atom 2836)
Step 5243, Epot=-2.395810e+05, Fnorm=2.874e+02, Fmax=1.890e+03 (atom 1516)
Step 5244, Epot=-2.395816e+05, Fnorm=2.786e+02, Fmax=1.762e+03 (atom 1510)
Step 5245, Epot=-2.395822e+05, Fnorm=2.794e+02, Fmax=2.118e+03 (atom 4330)
Step 5246, Epot=-2.395827e+05, Fnorm=2.823e+02, Fmax=1.526e+03 (atom 4912)
Step 5247, Epot=-2.395832e+05, Fnorm=2.841e+02, Fmax=1.487e+03 (atom 334)
Step 5248, Epot=-2.395837e+05, Fnorm=2.900e+02, Fmax=2.213e+03 (atom 4498)
Step 5249, Epot=-2.395842e+05, Fnorm=2.847e+02, Fmax=1.654e+03 (atom 3304)
Step 5250, Epot=-2.395848e+05, Fnorm=2.847e+02, Fmax=1.904e+03 (atom 3898)
Step 5251, Epot=-2.395852e+05, Fnorm=2.809e+02, Fmax=1.595e+03 (atom 5608)
Step 5252, Epot=-2.395857e+05, Fnorm=2.905e+02, Fmax=2.344e+03 (atom 3442)
Step 5253, Epot=-2.395862e+05, Fnorm=2.842e+02, Fmax=1.652e+03 (atom 5428)
Step 5254, Epot=-2.395867e+05, Fnorm=2.800e+02, Fmax=1.536e+03 (atom 4030)
Step 5255, Epot=-2.395872e+05, Fnorm=2.805e+02, Fmax=1.657e+03 (atom 3310)
Step 5256, Epot=-2.395877e+05, Fnorm=2.834e+02, Fmax=2.053e+03 (atom 5350)
Step 5257, Epot=-2.395882e+05, Fnorm=2.870e+02, Fmax=2.053e+03 (atom 5350)
Step 5258, Epot=-2.395886e+05, Fnorm=2.845e+02, Fmax=1.905e+03 (atom 3898)
Step 5259, Epot=-2.395890e+05, Fnorm=2.781e+02, Fmax=1.384e+03 (atom 4798)
Step 5260, Epot=-2.395894e+05, Fnorm=2.815e+02, Fmax=1.945e+03 (atom 2770)
Step 5261, Epot=-2.395899e+05, Fnorm=2.839e+02, Fmax=1.891e+03 (atom 3520)
Step 5262, Epot=-2.395902e+05, Fnorm=2.838e+02, Fmax=1.718e+03 (atom 370)
Step 5263, Epot=-2.395907e+05, Fnorm=2.857e+02, Fmax=1.641e+03 (atom 1330)
Step 5264, Epot=-2.395911e+05, Fnorm=2.832e+02, Fmax=1.656e+03 (atom 5128)
Step 5265, Epot=-2.395915e+05, Fnorm=2.824e+02, Fmax=1.665e+03 (atom 3088)
Step 5266, Epot=-2.395919e+05, Fnorm=2.869e+02, Fmax=1.666e+03 (atom 3088)
Step 5267, Epot=-2.395924e+05, Fnorm=2.897e+02, Fmax=1.679e+03 (atom 5056)
Step 5268, Epot=-2.395927e+05, Fnorm=2.901e+02, Fmax=2.026e+03 (atom 1516)
Step 5269, Epot=-2.395932e+05, Fnorm=2.832e+02, Fmax=1.574e+03 (atom 988)
Step 5270, Epot=-2.395936e+05, Fnorm=2.809e+02, Fmax=1.747e+03 (atom 1354)
Step 5271, Epot=-2.395940e+05, Fnorm=2.855e+02, Fmax=2.081e+03 (atom 1330)
Step 5272, Epot=-2.395945e+05, Fnorm=2.840e+02, Fmax=2.045e+03 (atom 5350)
Step 5273, Epot=-2.395949e+05, Fnorm=2.883e+02, Fmax=1.853e+03 (atom 562)
Step 5274, Epot=-2.395953e+05, Fnorm=2.843e+02, Fmax=1.939e+03 (atom 2770)
Step 5275, Epot=-2.395958e+05, Fnorm=2.821e+02, Fmax=1.555e+03 (atom 2044)
Step 5276, Epot=-2.395962e+05, Fnorm=2.889e+02, Fmax=1.658e+03 (atom 5128)
Step 5277, Epot=-2.395966e+05, Fnorm=2.804e+02, Fmax=1.757e+03 (atom 598)
Step 5278, Epot=-2.395970e+05, Fnorm=2.755e+02, Fmax=1.658e+03 (atom 4228)
Step 5279, Epot=-2.395974e+05, Fnorm=2.836e+02, Fmax=2.059e+03 (atom 4564)
Step 5280, Epot=-2.395978e+05, Fnorm=2.876e+02, Fmax=2.086e+03 (atom 4330)
Step 5281, Epot=-2.395982e+05, Fnorm=2.836e+02, Fmax=1.641e+03 (atom 5290)
Step 5282, Epot=-2.395987e+05, Fnorm=2.876e+02, Fmax=1.640e+03 (atom 5422)
Step 5283, Epot=-2.395991e+05, Fnorm=2.869e+02, Fmax=1.723e+03 (atom 1906)
Step 5284, Epot=-2.395995e+05, Fnorm=2.892e+02, Fmax=1.971e+03 (atom 3316)
Step 5285, Epot=-2.395999e+05, Fnorm=2.750e+02, Fmax=1.789e+03 (atom 1258)
Step 5286, Epot=-2.396004e+05, Fnorm=2.782e+02, Fmax=1.535e+03 (atom 436)
Step 5287, Epot=-2.396007e+05, Fnorm=2.834e+02, Fmax=1.531e+03 (atom 862)
Step 5288, Epot=-2.396012e+05, Fnorm=2.797e+02, Fmax=1.639e+03 (atom 4156)
Step 5289, Epot=-2.396015e+05, Fnorm=2.928e+02, Fmax=1.746e+03 (atom 1354)
Step 5290, Epot=-2.396019e+05, Fnorm=2.878e+02, Fmax=1.858e+03 (atom 1846)
Step 5291, Epot=-2.396024e+05, Fnorm=2.842e+02, Fmax=1.541e+03 (atom 586)
Step 5292, Epot=-2.396027e+05, Fnorm=2.829e+02, Fmax=1.552e+03 (atom 658)
Step 5293, Epot=-2.396032e+05, Fnorm=2.769e+02, Fmax=2.074e+03 (atom 1330)
Step 5294, Epot=-2.396036e+05, Fnorm=2.757e+02, Fmax=1.595e+03 (atom 1066)
Step 5295, Epot=-2.396040e+05, Fnorm=2.829e+02, Fmax=1.367e+03 (atom 5056)
Step 5296, Epot=-2.396044e+05, Fnorm=2.853e+02, Fmax=2.054e+03 (atom 5944)
Step 5297, Epot=-2.396048e+05, Fnorm=2.829e+02, Fmax=1.629e+03 (atom 3442)
Step 5298, Epot=-2.396052e+05, Fnorm=2.901e+02, Fmax=2.112e+03 (atom 2326)
Step 5299, Epot=-2.396056e+05, Fnorm=2.880e+02, Fmax=1.646e+03 (atom 4630)
Step 5300, Epot=-2.396059e+05, Fnorm=2.845e+02, Fmax=1.736e+03 (atom 4498)
Step 5301, Epot=-2.396063e+05, Fnorm=2.842e+02, Fmax=2.051e+03 (atom 5152)
Step 5302, Epot=-2.396067e+05, Fnorm=2.845e+02, Fmax=1.516e+03 (atom 4030)
Step 5303, Epot=-2.396071e+05, Fnorm=2.901e+02, Fmax=1.774e+03 (atom 3508)
Step 5304, Epot=-2.396074e+05, Fnorm=2.850e+02, Fmax=2.030e+03 (atom 466)
Step 5305, Epot=-2.396078e+05, Fnorm=2.864e+02, Fmax=1.822e+03 (atom 922)
Step 5306, Epot=-2.396082e+05, Fnorm=2.852e+02, Fmax=1.484e+03 (atom 4636)
Step 5307, Epot=-2.396085e+05, Fnorm=2.842e+02, Fmax=2.140e+03 (atom 3574)
Step 5308, Epot=-2.396089e+05, Fnorm=2.830e+02, Fmax=1.882e+03 (atom 562)
Step 5309, Epot=-2.396092e+05, Fnorm=2.806e+02, Fmax=1.606e+03 (atom 3310)
Step 5310, Epot=-2.396096e+05, Fnorm=2.781e+02, Fmax=1.755e+03 (atom 1510)
Step 5311, Epot=-2.396099e+05, Fnorm=2.814e+02, Fmax=1.838e+03 (atom 1516)
Step 5312, Epot=-2.396103e+05, Fnorm=2.754e+02, Fmax=1.527e+03 (atom 3256)
Step 5313, Epot=-2.396107e+05, Fnorm=2.824e+02, Fmax=1.612e+03 (atom 1642)
Step 5314, Epot=-2.396110e+05, Fnorm=2.865e+02, Fmax=2.030e+03 (atom 5350)
Step 5315, Epot=-2.396113e+05, Fnorm=2.807e+02, Fmax=1.595e+03 (atom 1780)
Step 5316, Epot=-2.396117e+05, Fnorm=2.801e+02, Fmax=1.631e+03 (atom 2848)
Step 5317, Epot=-2.396120e+05, Fnorm=2.853e+02, Fmax=1.743e+03 (atom 2770)
Step 5318, Epot=-2.396123e+05, Fnorm=2.884e+02, Fmax=1.653e+03 (atom 5878)
Step 5319, Epot=-2.396127e+05, Fnorm=2.887e+02, Fmax=1.821e+03 (atom 922)
Step 5320, Epot=-2.396130e+05, Fnorm=2.875e+02, Fmax=1.879e+03 (atom 1516)
Step 5321, Epot=-2.396132e+05, Fnorm=2.834e+02, Fmax=1.457e+03 (atom 4696)
Step 5322, Epot=-2.396136e+05, Fnorm=2.861e+02, Fmax=1.638e+03 (atom 3304)
Step 5323, Epot=-2.396139e+05, Fnorm=2.844e+02, Fmax=1.927e+03 (atom 2770)
Step 5324, Epot=-2.396143e+05, Fnorm=2.792e+02, Fmax=1.769e+03 (atom 3508)
Step 5325, Epot=-2.396146e+05, Fnorm=2.826e+02, Fmax=1.541e+03 (atom 6112)
Step 5326, Epot=-2.396149e+05, Fnorm=2.809e+02, Fmax=1.978e+03 (atom 862)
Step 5327, Epot=-2.396153e+05, Fnorm=2.832e+02, Fmax=1.617e+03 (atom 2596)
Step 5328, Epot=-2.396156e+05, Fnorm=2.809e+02, Fmax=1.724e+03 (atom 3574)
Step 5329, Epot=-2.396159e+05, Fnorm=2.789e+02, Fmax=1.562e+03 (atom 2044)
Step 5330, Epot=-2.396162e+05, Fnorm=2.806e+02, Fmax=1.628e+03 (atom 2848)
Step 5331, Epot=-2.396165e+05, Fnorm=2.797e+02, Fmax=2.075e+03 (atom 4330)
Step 5332, Epot=-2.396169e+05, Fnorm=2.902e+02, Fmax=2.069e+03 (atom 4564)
Step 5333, Epot=-2.396172e+05, Fnorm=2.909e+02, Fmax=1.753e+03 (atom 1510)
Step 5334, Epot=-2.396176e+05, Fnorm=2.866e+02, Fmax=1.788e+03 (atom 1768)
Step 5335, Epot=-2.396181e+05, Fnorm=2.871e+02, Fmax=1.651e+03 (atom 3442)
Step 5336, Epot=-2.396184e+05, Fnorm=3.002e+02, Fmax=2.585e+03 (atom 2836)
Step 5337, Epot=-2.396189e+05, Fnorm=2.842e+02, Fmax=1.747e+03 (atom 1192)
Step 5338, Epot=-2.396193e+05, Fnorm=2.805e+02, Fmax=1.647e+03 (atom 4630)
Step 5339, Epot=-2.396197e+05, Fnorm=2.777e+02, Fmax=1.663e+03 (atom 5272)
Step 5340, Epot=-2.396201e+05, Fnorm=2.779e+02, Fmax=1.613e+03 (atom 5290)
Step 5341, Epot=-2.396205e+05, Fnorm=2.811e+02, Fmax=2.098e+03 (atom 1330)
Step 5342, Epot=-2.396208e+05, Fnorm=2.795e+02, Fmax=1.915e+03 (atom 826)
Step 5343, Epot=-2.396212e+05, Fnorm=2.842e+02, Fmax=1.736e+03 (atom 3310)
Step 5344, Epot=-2.396215e+05, Fnorm=2.831e+02, Fmax=1.637e+03 (atom 5878)
Step 5345, Epot=-2.396219e+05, Fnorm=2.792e+02, Fmax=1.616e+03 (atom 988)
Step 5346, Epot=-2.396223e+05, Fnorm=2.885e+02, Fmax=2.003e+03 (atom 5350)
Step 5347, Epot=-2.396227e+05, Fnorm=2.903e+02, Fmax=1.681e+03 (atom 1906)
Step 5348, Epot=-2.396231e+05, Fnorm=2.893e+02, Fmax=2.076e+03 (atom 4030)
Step 5349, Epot=-2.396236e+05, Fnorm=2.914e+02, Fmax=1.739e+03 (atom 370)
Step 5350, Epot=-2.396240e+05, Fnorm=2.910e+02, Fmax=1.904e+03 (atom 5296)
Step 5351, Epot=-2.396245e+05, Fnorm=2.866e+02, Fmax=1.664e+03 (atom 3442)
Step 5352, Epot=-2.396249e+05, Fnorm=2.859e+02, Fmax=1.599e+03 (atom 5704)
Step 5353, Epot=-2.396253e+05, Fnorm=2.827e+02, Fmax=1.717e+03 (atom 3574)
Step 5354, Epot=-2.396258e+05, Fnorm=2.821e+02, Fmax=2.004e+03 (atom 5350)
Step 5355, Epot=-2.396262e+05, Fnorm=2.845e+02, Fmax=1.893e+03 (atom 5218)
Step 5356, Epot=-2.396267e+05, Fnorm=2.814e+02, Fmax=1.763e+03 (atom 3508)
Step 5357, Epot=-2.396271e+05, Fnorm=2.839e+02, Fmax=1.945e+03 (atom 334)
Step 5358, Epot=-2.396275e+05, Fnorm=2.798e+02, Fmax=1.499e+03 (atom 2710)
Step 5359, Epot=-2.396280e+05, Fnorm=2.749e+02, Fmax=1.448e+03 (atom 3826)
Step 5360, Epot=-2.396284e+05, Fnorm=2.788e+02, Fmax=1.648e+03 (atom 4228)
Step 5361, Epot=-2.396288e+05, Fnorm=2.810e+02, Fmax=1.565e+03 (atom 1258)
Step 5362, Epot=-2.396292e+05, Fnorm=2.794e+02, Fmax=1.543e+03 (atom 1354)
Step 5363, Epot=-2.396296e+05, Fnorm=2.864e+02, Fmax=1.547e+03 (atom 5170)
Step 5364, Epot=-2.396300e+05, Fnorm=2.897e+02, Fmax=1.578e+03 (atom 3310)
Step 5365, Epot=-2.396304e+05, Fnorm=2.846e+02, Fmax=1.542e+03 (atom 3508)
Step 5366, Epot=-2.396310e+05, Fnorm=2.899e+02, Fmax=2.072e+03 (atom 4030)
Step 5367, Epot=-2.396313e+05, Fnorm=2.862e+02, Fmax=2.088e+03 (atom 664)
Step 5368, Epot=-2.396318e+05, Fnorm=2.823e+02, Fmax=1.462e+03 (atom 4336)
Step 5369, Epot=-2.396323e+05, Fnorm=2.905e+02, Fmax=1.674e+03 (atom 3442)
Step 5370, Epot=-2.396328e+05, Fnorm=2.846e+02, Fmax=1.536e+03 (atom 2044)
Step 5371, Epot=-2.396333e+05, Fnorm=2.812e+02, Fmax=1.499e+03 (atom 3958)
Step 5372, Epot=-2.396337e+05, Fnorm=2.839e+02, Fmax=1.596e+03 (atom 4984)
Step 5373, Epot=-2.396342e+05, Fnorm=2.813e+02, Fmax=1.573e+03 (atom 1774)
Step 5374, Epot=-2.396346e+05, Fnorm=2.830e+02, Fmax=1.628e+03 (atom 6010)
Step 5375, Epot=-2.396351e+05, Fnorm=2.809e+02, Fmax=1.660e+03 (atom 4030)
Step 5376, Epot=-2.396355e+05, Fnorm=2.800e+02, Fmax=1.365e+03 (atom 5686)
Step 5377, Epot=-2.396360e+05, Fnorm=2.821e+02, Fmax=1.480e+03 (atom 1780)
Step 5378, Epot=-2.396363e+05, Fnorm=2.888e+02, Fmax=1.658e+03 (atom 4156)
Step 5379, Epot=-2.396368e+05, Fnorm=2.896e+02, Fmax=1.748e+03 (atom 2770)
Step 5380, Epot=-2.396372e+05, Fnorm=2.877e+02, Fmax=2.295e+03 (atom 1774)
Step 5381, Epot=-2.396377e+05, Fnorm=2.826e+02, Fmax=1.501e+03 (atom 5422)
Step 5382, Epot=-2.396382e+05, Fnorm=2.844e+02, Fmax=2.010e+03 (atom 5422)
Step 5383, Epot=-2.396386e+05, Fnorm=2.858e+02, Fmax=1.666e+03 (atom 5824)
Step 5384, Epot=-2.396391e+05, Fnorm=2.849e+02, Fmax=1.757e+03 (atom 4498)
Step 5385, Epot=-2.396395e+05, Fnorm=2.840e+02, Fmax=1.709e+03 (atom 3574)
Step 5386, Epot=-2.396400e+05, Fnorm=2.876e+02, Fmax=1.985e+03 (atom 862)
Step 5387, Epot=-2.396405e+05, Fnorm=2.880e+02, Fmax=1.632e+03 (atom 3304)
Step 5388, Epot=-2.396410e+05, Fnorm=2.893e+02, Fmax=1.628e+03 (atom 2860)
Step 5389, Epot=-2.396416e+05, Fnorm=2.892e+02, Fmax=1.898e+03 (atom 1972)
Step 5390, Epot=-2.396421e+05, Fnorm=2.866e+02, Fmax=1.759e+03 (atom 4498)
Step 5391, Epot=-2.396428e+05, Fnorm=2.887e+02, Fmax=1.759e+03 (atom 4498)
Step 5392, Epot=-2.396432e+05, Fnorm=2.912e+02, Fmax=1.560e+03 (atom 4690)
Step 5393, Epot=-2.396438e+05, Fnorm=2.826e+02, Fmax=1.894e+03 (atom 3898)
Step 5394, Epot=-2.396443e+05, Fnorm=2.771e+02, Fmax=1.693e+03 (atom 3310)
Step 5395, Epot=-2.396448e+05, Fnorm=2.820e+02, Fmax=1.746e+03 (atom 562)
Step 5396, Epot=-2.396452e+05, Fnorm=2.799e+02, Fmax=1.746e+03 (atom 562)
Step 5397, Epot=-2.396457e+05, Fnorm=2.812e+02, Fmax=1.608e+03 (atom 916)
Step 5398, Epot=-2.396462e+05, Fnorm=2.850e+02, Fmax=1.691e+03 (atom 3310)
Step 5399, Epot=-2.396467e+05, Fnorm=2.840e+02, Fmax=2.186e+03 (atom 4498)
Step 5400, Epot=-2.396471e+05, Fnorm=2.844e+02, Fmax=1.631e+03 (atom 4690)
Step 5401, Epot=-2.396477e+05, Fnorm=2.878e+02, Fmax=1.947e+03 (atom 2770)
Step 5402, Epot=-2.396481e+05, Fnorm=2.832e+02, Fmax=2.072e+03 (atom 2194)
Step 5403, Epot=-2.396486e+05, Fnorm=2.909e+02, Fmax=1.661e+03 (atom 4156)
Step 5404, Epot=-2.396492e+05, Fnorm=2.875e+02, Fmax=1.563e+03 (atom 6010)
Step 5405, Epot=-2.396498e+05, Fnorm=2.860e+02, Fmax=1.722e+03 (atom 1336)
Step 5406, Epot=-2.396503e+05, Fnorm=2.899e+02, Fmax=2.185e+03 (atom 4498)
Step 5407, Epot=-2.396509e+05, Fnorm=2.817e+02, Fmax=1.888e+03 (atom 5548)
Step 5408, Epot=-2.396514e+05, Fnorm=2.897e+02, Fmax=2.013e+03 (atom 3316)
Step 5409, Epot=-2.396519e+05, Fnorm=2.822e+02, Fmax=1.818e+03 (atom 1192)
Step 5410, Epot=-2.396524e+05, Fnorm=2.777e+02, Fmax=1.752e+03 (atom 4084)
Step 5411, Epot=-2.396529e+05, Fnorm=2.836e+02, Fmax=1.657e+03 (atom 4156)
Step 5412, Epot=-2.396534e+05, Fnorm=2.893e+02, Fmax=1.718e+03 (atom 1906)
Step 5413, Epot=-2.396539e+05, Fnorm=2.881e+02, Fmax=2.086e+03 (atom 3856)
Step 5414, Epot=-2.396545e+05, Fnorm=2.777e+02, Fmax=1.613e+03 (atom 724)
Step 5415, Epot=-2.396550e+05, Fnorm=2.841e+02, Fmax=1.663e+03 (atom 3898)
Step 5416, Epot=-2.396555e+05, Fnorm=2.875e+02, Fmax=1.757e+03 (atom 4498)
Step 5417, Epot=-2.396560e+05, Fnorm=2.904e+02, Fmax=1.674e+03 (atom 4912)
Step 5418, Epot=-2.396566e+05, Fnorm=2.907e+02, Fmax=1.758e+03 (atom 562)
Step 5419, Epot=-2.396571e+05, Fnorm=2.871e+02, Fmax=1.631e+03 (atom 1840)
Step 5420, Epot=-2.396576e+05, Fnorm=2.824e+02, Fmax=1.482e+03 (atom 6124)
Step 5421, Epot=-2.396582e+05, Fnorm=2.838e+02, Fmax=2.064e+03 (atom 4030)
Step 5422, Epot=-2.396587e+05, Fnorm=2.839e+02, Fmax=1.751e+03 (atom 3310)
Step 5423, Epot=-2.396592e+05, Fnorm=2.801e+02, Fmax=1.552e+03 (atom 2044)
Step 5424, Epot=-2.396598e+05, Fnorm=2.742e+02, Fmax=1.653e+03 (atom 3724)
Step 5425, Epot=-2.396602e+05, Fnorm=2.780e+02, Fmax=1.584e+03 (atom 4228)
Step 5426, Epot=-2.396607e+05, Fnorm=2.804e+02, Fmax=1.794e+03 (atom 1354)
Step 5427, Epot=-2.396612e+05, Fnorm=2.822e+02, Fmax=1.794e+03 (atom 1354)
Step 5428, Epot=-2.396618e+05, Fnorm=2.837e+02, Fmax=1.751e+03 (atom 4498)
Step 5429, Epot=-2.396622e+05, Fnorm=2.882e+02, Fmax=1.768e+03 (atom 1774)
Step 5430, Epot=-2.396628e+05, Fnorm=2.854e+02, Fmax=1.431e+03 (atom 5698)
Step 5431, Epot=-2.396633e+05, Fnorm=2.759e+02, Fmax=1.363e+03 (atom 2326)
Step 5432, Epot=-2.396639e+05, Fnorm=2.769e+02, Fmax=1.608e+03 (atom 3310)
Step 5433, Epot=-2.396644e+05, Fnorm=2.816e+02, Fmax=1.813e+03 (atom 1510)
Step 5434, Epot=-2.396650e+05, Fnorm=2.830e+02, Fmax=1.615e+03 (atom 1840)
Step 5435, Epot=-2.396656e+05, Fnorm=2.874e+02, Fmax=1.649e+03 (atom 3442)
Step 5436, Epot=-2.396662e+05, Fnorm=2.844e+02, Fmax=1.627e+03 (atom 3304)
Step 5437, Epot=-2.396668e+05, Fnorm=2.848e+02, Fmax=1.942e+03 (atom 862)
Step 5438, Epot=-2.396673e+05, Fnorm=2.853e+02, Fmax=2.098e+03 (atom 2836)
Step 5439, Epot=-2.396679e+05, Fnorm=2.822e+02, Fmax=1.623e+03 (atom 5824)
Step 5440, Epot=-2.396452e+05, Fnorm=2.840e+02, Fmax=2.124e+03 (atom 3574)
Step 5441, Epot=-2.396457e+05, Fnorm=2.921e+02, Fmax=1.803e+03 (atom 3088)
Step 5442, Epot=-2.396465e+05, Fnorm=2.877e+02, Fmax=1.802e+03 (atom 3088)
Step 5443, Epot=-2.396471e+05, Fnorm=2.843e+02, Fmax=1.710e+03 (atom 5236)
Step 5444, Epot=-2.396478e+05, Fnorm=2.914e+02, Fmax=1.707e+03 (atom 5236)
Step 5445, Epot=-2.396483e+05, Fnorm=2.851e+02, Fmax=1.703e+03 (atom 5236)
Step 5446, Epot=-2.396490e+05, Fnorm=2.783e+02, Fmax=2.080e+03 (atom 4030)
Step 5447, Epot=-2.396496e+05, Fnorm=2.888e+02, Fmax=1.796e+03 (atom 1330)
Step 5448, Epot=-2.396503e+05, Fnorm=2.882e+02, Fmax=2.126e+03 (atom 3574)
Step 5449, Epot=-2.396510e+05, Fnorm=2.825e+02, Fmax=1.596e+03 (atom 1840)
Step 5450, Epot=-2.396517e+05, Fnorm=2.799e+02, Fmax=1.924e+03 (atom 1972)
Step 5451, Epot=-2.396522e+05, Fnorm=2.907e+02, Fmax=1.858e+03 (atom 4264)
Step 5452, Epot=-2.396529e+05, Fnorm=2.867e+02, Fmax=1.726e+03 (atom 4156)
Step 5453, Epot=-2.396536e+05, Fnorm=2.802e+02, Fmax=1.594e+03 (atom 1840)
Step 5454, Epot=-2.396542e+05, Fnorm=2.822e+02, Fmax=1.520e+03 (atom 3382)
Step 5455, Epot=-2.396548e+05, Fnorm=2.843e+02, Fmax=1.537e+03 (atom 562)
Step 5456, Epot=-2.396553e+05, Fnorm=2.830e+02, Fmax=1.670e+03 (atom 1504)
Step 5457, Epot=-2.396559e+05, Fnorm=2.806e+02, Fmax=1.996e+03 (atom 826)
Step 5458, Epot=-2.396564e+05, Fnorm=2.824e+02, Fmax=1.799e+03 (atom 826)
Step 5459, Epot=-2.396570e+05, Fnorm=2.811e+02, Fmax=1.965e+03 (atom 928)
Step 5460, Epot=-2.396575e+05, Fnorm=2.819e+02, Fmax=1.479e+03 (atom 928)
Step 5461, Epot=-2.396580e+05, Fnorm=2.872e+02, Fmax=1.533e+03 (atom 586)
Step 5462, Epot=-2.396586e+05, Fnorm=2.859e+02, Fmax=1.615e+03 (atom 5878)
Step 5463, Epot=-2.396592e+05, Fnorm=2.786e+02, Fmax=1.553e+03 (atom 466)
Step 5464, Epot=-2.396597e+05, Fnorm=2.839e+02, Fmax=1.638e+03 (atom 4156)
Step 5465, Epot=-2.396602e+05, Fnorm=2.833e+02, Fmax=1.547e+03 (atom 562)
Step 5466, Epot=-2.396607e+05, Fnorm=2.817e+02, Fmax=1.644e+03 (atom 3310)
Step 5467, Epot=-2.396612e+05, Fnorm=2.822e+02, Fmax=2.068e+03 (atom 4030)
Step 5468, Epot=-2.396616e+05, Fnorm=2.764e+02, Fmax=2.067e+03 (atom 4030)
Step 5469, Epot=-2.396620e+05, Fnorm=2.764e+02, Fmax=1.434e+03 (atom 4636)
Step 5470, Epot=-2.396625e+05, Fnorm=2.874e+02, Fmax=1.555e+03 (atom 3910)
Step 5471, Epot=-2.396629e+05, Fnorm=2.863e+02, Fmax=2.217e+03 (atom 4156)
Step 5472, Epot=-2.396634e+05, Fnorm=2.873e+02, Fmax=1.749e+03 (atom 3508)
Step 5473, Epot=-2.396639e+05, Fnorm=2.851e+02, Fmax=1.646e+03 (atom 3310)
Step 5474, Epot=-2.396643e+05, Fnorm=2.852e+02, Fmax=1.729e+03 (atom 3574)
Step 5475, Epot=-2.396648e+05, Fnorm=2.854e+02, Fmax=1.741e+03 (atom 598)
Step 5476, Epot=-2.396652e+05, Fnorm=2.904e+02, Fmax=1.934e+03 (atom 862)
Step 5477, Epot=-2.396657e+05, Fnorm=2.891e+02, Fmax=1.470e+03 (atom 4390)
Step 5478, Epot=-2.396662e+05, Fnorm=2.888e+02, Fmax=1.600e+03 (atom 5944)
Step 5479, Epot=-2.396667e+05, Fnorm=2.890e+02, Fmax=2.066e+03 (atom 4564)
Step 5480, Epot=-2.396672e+05, Fnorm=2.912e+02, Fmax=2.345e+03 (atom 2770)
Step 5481, Epot=-2.396677e+05, Fnorm=2.840e+02, Fmax=1.594e+03 (atom 1642)
Step 5482, Epot=-2.396682e+05, Fnorm=2.785e+02, Fmax=1.479e+03 (atom 436)
Step 5483, Epot=-2.396687e+05, Fnorm=2.784e+02, Fmax=1.936e+03 (atom 1516)
Step 5484, Epot=-2.396691e+05, Fnorm=2.852e+02, Fmax=2.140e+03 (atom 3574)
Step 5485, Epot=-2.396696e+05, Fnorm=2.861e+02, Fmax=2.068e+03 (atom 4030)
Step 5486, Epot=-2.396701e+05, Fnorm=2.846e+02, Fmax=1.897e+03 (atom 2770)
Step 5487, Epot=-2.396706e+05, Fnorm=2.870e+02, Fmax=1.665e+03 (atom 3310)
Step 5488, Epot=-2.396711e+05, Fnorm=2.898e+02, Fmax=1.874e+03 (atom 562)
Step 5489, Epot=-2.396717e+05, Fnorm=2.923e+02, Fmax=1.924e+03 (atom 3376)
Step 5490, Epot=-2.396722e+05, Fnorm=2.874e+02, Fmax=1.701e+03 (atom 3310)
Step 5491, Epot=-2.396726e+05, Fnorm=2.812e+02, Fmax=2.061e+03 (atom 4030)
Step 5492, Epot=-2.396731e+05, Fnorm=2.896e+02, Fmax=1.651e+03 (atom 5014)
Step 5493, Epot=-2.396736e+05, Fnorm=2.872e+02, Fmax=1.568e+03 (atom 4690)
Step 5494, Epot=-2.396740e+05, Fnorm=2.889e+02, Fmax=1.902e+03 (atom 3898)
Step 5495, Epot=-2.396745e+05, Fnorm=2.886e+02, Fmax=1.572e+03 (atom 1780)
Step 5496, Epot=-2.396749e+05, Fnorm=2.891e+02, Fmax=2.147e+03 (atom 3574)
Step 5497, Epot=-2.396754e+05, Fnorm=2.875e+02, Fmax=2.147e+03 (atom 3574)
Step 5498, Epot=-2.396758e+05, Fnorm=2.912e+02, Fmax=1.901e+03 (atom 5218)
Step 5499, Epot=-2.396764e+05, Fnorm=2.850e+02, Fmax=1.747e+03 (atom 1336)
Step 5500, Epot=-2.397004e+05, Fnorm=2.869e+02, Fmax=1.859e+03 (atom 4696)
Step 5501, Epot=-2.397009e+05, Fnorm=2.937e+02, Fmax=2.469e+03 (atom 3508)
Step 5502, Epot=-2.397015e+05, Fnorm=2.904e+02, Fmax=1.647e+03 (atom 5428)
Step 5503, Epot=-2.397021e+05, Fnorm=2.854e+02, Fmax=1.636e+03 (atom 3304)
Step 5504, Epot=-2.397027e+05, Fnorm=2.854e+02, Fmax=1.686e+03 (atom 3724)
Step 5505, Epot=-2.397032e+05, Fnorm=2.798e+02, Fmax=1.714e+03 (atom 586)
Step 5506, Epot=-2.397038e+05, Fnorm=2.838e+02, Fmax=2.358e+03 (atom 3442)
Step 5507, Epot=-2.397043e+05, Fnorm=2.905e+02, Fmax=1.949e+03 (atom 3316)
Step 5508, Epot=-2.397048e+05, Fnorm=2.848e+02, Fmax=2.080e+03 (atom 4564)
Step 5509, Epot=-2.397055e+05, Fnorm=2.866e+02, Fmax=1.949e+03 (atom 1708)
Step 5510, Epot=-2.397059e+05, Fnorm=2.891e+02, Fmax=1.684e+03 (atom 1330)
Step 5511, Epot=-2.397064e+05, Fnorm=2.854e+02, Fmax=1.548e+03 (atom 3382)
Step 5512, Epot=-2.397070e+05, Fnorm=2.853e+02, Fmax=1.667e+03 (atom 1774)
Step 5513, Epot=-2.397074e+05, Fnorm=2.860e+02, Fmax=1.785e+03 (atom 4498)
Step 5514, Epot=-2.397079e+05, Fnorm=2.850e+02, Fmax=1.562e+03 (atom 5956)
Step 5515, Epot=-2.397084e+05, Fnorm=2.888e+02, Fmax=1.692e+03 (atom 664)
Step 5516, Epot=-2.397088e+05, Fnorm=2.890e+02, Fmax=1.890e+03 (atom 562)
Step 5517, Epot=-2.397094e+05, Fnorm=2.831e+02, Fmax=2.035e+03 (atom 466)
Step 5518, Epot=-2.397098e+05, Fnorm=2.787e+02, Fmax=2.489e+03 (atom 5878)
Step 5519, Epot=-2.397103e+05, Fnorm=2.815e+02, Fmax=1.641e+03 (atom 3304)
Step 5520, Epot=-2.397106e+05, Fnorm=2.781e+02, Fmax=1.679e+03 (atom 4228)
Step 5521, Epot=-2.397111e+05, Fnorm=2.830e+02, Fmax=1.630e+03 (atom 5956)
Step 5522, Epot=-2.397115e+05, Fnorm=2.871e+02, Fmax=1.707e+03 (atom 1258)
Step 5523, Epot=-2.397120e+05, Fnorm=2.810e+02, Fmax=1.600e+03 (atom 6082)
Step 5524, Epot=-2.397125e+05, Fnorm=2.797e+02, Fmax=1.922e+03 (atom 3376)
Step 5525, Epot=-2.397129e+05, Fnorm=2.856e+02, Fmax=1.675e+03 (atom 1330)
Step 5526, Epot=-2.397134e+05, Fnorm=2.768e+02, Fmax=1.396e+03 (atom 730)
Step 5527, Epot=-2.397139e+05, Fnorm=2.849e+02, Fmax=1.847e+03 (atom 2836)
Step 5528, Epot=-2.397143e+05, Fnorm=2.944e+02, Fmax=1.847e+03 (atom 2836)
Step 5529, Epot=-2.397148e+05, Fnorm=2.927e+02, Fmax=1.914e+03 (atom 3376)
Step 5530, Epot=-2.397153e+05, Fnorm=2.850e+02, Fmax=1.591e+03 (atom 6082)
Step 5531, Epot=-2.397158e+05, Fnorm=2.826e+02, Fmax=1.460e+03 (atom 3826)
Step 5532, Epot=-2.397163e+05, Fnorm=2.823e+02, Fmax=1.625e+03 (atom 928)
Step 5533, Epot=-2.397168e+05, Fnorm=2.875e+02, Fmax=1.899e+03 (atom 562)
Step 5534, Epot=-2.397174e+05, Fnorm=2.779e+02, Fmax=1.797e+03 (atom 1330)
Step 5535, Epot=-2.397179e+05, Fnorm=2.805e+02, Fmax=1.676e+03 (atom 586)
Step 5536, Epot=-2.397183e+05, Fnorm=2.846e+02, Fmax=1.938e+03 (atom 334)
Step 5537, Epot=-2.397188e+05, Fnorm=2.862e+02, Fmax=1.757e+03 (atom 1192)
Step 5538, Epot=-2.397193e+05, Fnorm=2.843e+02, Fmax=2.050e+03 (atom 5878)
Step 5539, Epot=-2.397197e+05, Fnorm=2.887e+02, Fmax=2.050e+03 (atom 5152)
Step 5540, Epot=-2.397202e+05, Fnorm=2.790e+02, Fmax=1.513e+03 (atom 2044)
Step 5541, Epot=-2.397207e+05, Fnorm=2.799e+02, Fmax=1.738e+03 (atom 1768)
Step 5542, Epot=-2.397211e+05, Fnorm=2.806e+02, Fmax=1.676e+03 (atom 4630)
Step 5543, Epot=-2.397216e+05, Fnorm=2.813e+02, Fmax=1.587e+03 (atom 5914)
Step 5544, Epot=-2.397222e+05, Fnorm=2.891e+02, Fmax=1.619e+03 (atom 1840)
Step 5545, Epot=-2.397227e+05, Fnorm=2.873e+02, Fmax=1.579e+03 (atom 3910)
Step 5546, Epot=-2.397233e+05, Fnorm=2.860e+02, Fmax=1.468e+03 (atom 562)
Step 5547, Epot=-2.397238e+05, Fnorm=2.845e+02, Fmax=2.019e+03 (atom 3130)
Step 5548, Epot=-2.397243e+05, Fnorm=2.807e+02, Fmax=1.576e+03 (atom 1504)
Step 5549, Epot=-2.397248e+05, Fnorm=2.823e+02, Fmax=2.336e+03 (atom 2770)
Step 5550, Epot=-2.397253e+05, Fnorm=2.832e+02, Fmax=1.678e+03 (atom 4630)
Step 5551, Epot=-2.397259e+05, Fnorm=2.837e+02, Fmax=1.618e+03 (atom 3310)
Step 5552, Epot=-2.397264e+05, Fnorm=2.806e+02, Fmax=1.855e+03 (atom 922)
Step 5553, Epot=-2.397269e+05, Fnorm=2.856e+02, Fmax=1.584e+03 (atom 3910)
Step 5554, Epot=-2.397274e+05, Fnorm=2.868e+02, Fmax=1.659e+03 (atom 1774)
Step 5555, Epot=-2.397280e+05, Fnorm=2.882e+02, Fmax=1.834e+03 (atom 3088)
Step 5556, Epot=-2.397285e+05, Fnorm=2.930e+02, Fmax=2.079e+03 (atom 3508)
Step 5557, Epot=-2.397290e+05, Fnorm=2.846e+02, Fmax=2.079e+03 (atom 3508)
Step 5558, Epot=-2.397295e+05, Fnorm=2.800e+02, Fmax=1.459e+03 (atom 3502)
Step 5559, Epot=-2.397300e+05, Fnorm=2.839e+02, Fmax=1.709e+03 (atom 1126)
Step 5560, Epot=-2.397305e+05, Fnorm=2.836e+02, Fmax=1.746e+03 (atom 5686)
Step 5561, Epot=-2.397310e+05, Fnorm=2.806e+02, Fmax=1.632e+03 (atom 4228)
Step 5562, Epot=-2.397316e+05, Fnorm=2.839e+02, Fmax=1.844e+03 (atom 5620)
Step 5563, Epot=-2.397321e+05, Fnorm=2.925e+02, Fmax=1.536e+03 (atom 1354)
Step 5564, Epot=-2.397326e+05, Fnorm=2.863e+02, Fmax=1.608e+03 (atom 3310)
Step 5565, Epot=-2.397332e+05, Fnorm=2.862e+02, Fmax=1.663e+03 (atom 1504)
Step 5566, Epot=-2.397337e+05, Fnorm=2.878e+02, Fmax=2.510e+03 (atom 5878)
Step 5567, Epot=-2.397342e+05, Fnorm=2.877e+02, Fmax=1.746e+03 (atom 5686)
Step 5568, Epot=-2.397348e+05, Fnorm=2.823e+02, Fmax=1.755e+03 (atom 3508)
Step 5569, Epot=-2.397354e+05, Fnorm=2.957e+02, Fmax=1.754e+03 (atom 3508)
Step 5570, Epot=-2.397360e+05, Fnorm=2.890e+02, Fmax=1.606e+03 (atom 1330)
Step 5571, Epot=-2.397365e+05, Fnorm=2.878e+02, Fmax=1.615e+03 (atom 2596)
Step 5572, Epot=-2.397371e+05, Fnorm=2.811e+02, Fmax=1.637e+03 (atom 4690)
Step 5573, Epot=-2.397376e+05, Fnorm=2.814e+02, Fmax=2.341e+03 (atom 2770)
Step 5574, Epot=-2.397381e+05, Fnorm=2.843e+02, Fmax=1.464e+03 (atom 3502)
Step 5575, Epot=-2.397388e+05, Fnorm=2.806e+02, Fmax=1.558e+03 (atom 4114)
Step 5576, Epot=-2.397393e+05, Fnorm=2.838e+02, Fmax=1.563e+03 (atom 4114)
Step 5577, Epot=-2.397398e+05, Fnorm=2.875e+02, Fmax=1.686e+03 (atom 6010)
Step 5578, Epot=-2.397403e+05, Fnorm=2.838e+02, Fmax=1.532e+03 (atom 3148)
Step 5579, Epot=-2.397409e+05, Fnorm=2.815e+02, Fmax=1.472e+03 (atom 4696)
Step 5580, Epot=-2.397414e+05, Fnorm=2.891e+02, Fmax=1.956e+03 (atom 3442)
Step 5581, Epot=-2.397420e+05, Fnorm=2.794e+02, Fmax=1.618e+03 (atom 5878)
Step 5582, Epot=-2.397425e+05, Fnorm=2.778e+02, Fmax=1.613e+03 (atom 4498)
Step 5583, Epot=-2.397430e+05, Fnorm=2.735e+02, Fmax=1.568e+03 (atom 5422)
Step 5584, Epot=-2.397436e+05, Fnorm=2.862e+02, Fmax=1.979e+03 (atom 862)
Step 5585, Epot=-2.397441e+05, Fnorm=2.948e+02, Fmax=1.870e+03 (atom 562)
Step 5586, Epot=-2.397446e+05, Fnorm=2.862e+02, Fmax=1.945e+03 (atom 1354)
Step 5587, Epot=-2.397452e+05, Fnorm=2.866e+02, Fmax=1.473e+03 (atom 3724)
Step 5588, Epot=-2.397457e+05, Fnorm=2.913e+02, Fmax=1.624e+03 (atom 3310)
Step 5589, Epot=-2.397462e+05, Fnorm=2.837e+02, Fmax=1.490e+03 (atom 3904)
Step 5590, Epot=-2.397468e+05, Fnorm=2.780e+02, Fmax=1.487e+03 (atom 982)
Step 5591, Epot=-2.397474e+05, Fnorm=2.774e+02, Fmax=1.488e+03 (atom 982)
Step 5592, Epot=-2.397478e+05, Fnorm=2.870e+02, Fmax=1.499e+03 (atom 6124)
Step 5593, Epot=-2.397483e+05, Fnorm=2.786e+02, Fmax=1.679e+03 (atom 3856)
Step 5594, Epot=-2.397488e+05, Fnorm=2.715e+02, Fmax=1.679e+03 (atom 3856)
Step 5595, Epot=-2.397492e+05, Fnorm=2.811e+02, Fmax=1.777e+03 (atom 4498)
Step 5596, Epot=-2.397497e+05, Fnorm=2.779e+02, Fmax=2.107e+03 (atom 2038)
Step 5597, Epot=-2.397502e+05, Fnorm=2.815e+02, Fmax=1.637e+03 (atom 3442)
Step 5598, Epot=-2.397507e+05, Fnorm=2.888e+02, Fmax=1.669e+03 (atom 1126)
Step 5599, Epot=-2.397512e+05, Fnorm=2.891e+02, Fmax=1.634e+03 (atom 4690)
Step 5600, Epot=-2.397517e+05, Fnorm=2.835e+02, Fmax=1.644e+03 (atom 2836)
Step 5601, Epot=-2.397522e+05, Fnorm=2.852e+02, Fmax=1.549e+03 (atom 586)
Step 5602, Epot=-2.397527e+05, Fnorm=2.843e+02, Fmax=2.205e+03 (atom 4498)
Step 5603, Epot=-2.397532e+05, Fnorm=2.845e+02, Fmax=1.768e+03 (atom 598)
Step 5604, Epot=-2.397537e+05, Fnorm=2.817e+02, Fmax=1.473e+03 (atom 4696)
Step 5605, Epot=-2.397541e+05, Fnorm=2.874e+02, Fmax=2.347e+03 (atom 2770)
Step 5606, Epot=-2.397546e+05, Fnorm=2.910e+02, Fmax=1.664e+03 (atom 562)
Step 5607, Epot=-2.397551e+05, Fnorm=2.855e+02, Fmax=1.926e+03 (atom 1516)
Step 5608, Epot=-2.397556e+05, Fnorm=2.835e+02, Fmax=1.922e+03 (atom 3316)
Step 5609, Epot=-2.397560e+05, Fnorm=2.820e+02, Fmax=1.925e+03 (atom 1708)
Step 5610, Epot=-2.397565e+05, Fnorm=2.790e+02, Fmax=1.681e+03 (atom 3856)
Step 5611, Epot=-2.397569e+05, Fnorm=2.910e+02, Fmax=2.073e+03 (atom 4030)
Step 5612, Epot=-2.397574e+05, Fnorm=2.883e+02, Fmax=1.770e+03 (atom 5944)
Step 5613, Epot=-2.397579e+05, Fnorm=2.785e+02, Fmax=2.236e+03 (atom 4156)
Step 5614, Epot=-2.397583e+05, Fnorm=2.794e+02, Fmax=2.103e+03 (atom 1330)
Step 5615, Epot=-2.397587e+05, Fnorm=2.830e+02, Fmax=1.873e+03 (atom 3130)
Step 5616, Epot=-2.397592e+05, Fnorm=2.783e+02, Fmax=1.929e+03 (atom 1708)
Step 5617, Epot=-2.397596e+05, Fnorm=2.848e+02, Fmax=1.661e+03 (atom 4972)
Step 5618, Epot=-2.397601e+05, Fnorm=2.899e+02, Fmax=1.806e+03 (atom 3088)
Step 5619, Epot=-2.397605e+05, Fnorm=2.756e+02, Fmax=1.661e+03 (atom 4972)
Step 5620, Epot=-2.397609e+05, Fnorm=2.815e+02, Fmax=1.748e+03 (atom 3724)
Step 5621, Epot=-2.397614e+05, Fnorm=2.825e+02, Fmax=1.933e+03 (atom 1708)
Step 5622, Epot=-2.397618e+05, Fnorm=2.856e+02, Fmax=1.665e+03 (atom 6010)
Step 5623, Epot=-2.397623e+05, Fnorm=2.890e+02, Fmax=1.768e+03 (atom 1516)
Step 5624, Epot=-2.397628e+05, Fnorm=2.900e+02, Fmax=1.523e+03 (atom 2680)
Step 5625, Epot=-2.397632e+05, Fnorm=2.862e+02, Fmax=1.702e+03 (atom 5164)
Step 5626, Epot=-2.397637e+05, Fnorm=2.902e+02, Fmax=2.110e+03 (atom 4330)
Step 5627, Epot=-2.397642e+05, Fnorm=2.887e+02, Fmax=1.671e+03 (atom 3310)
Step 5628, Epot=-2.397647e+05, Fnorm=2.837e+02, Fmax=1.684e+03 (atom 5014)
Step 5629, Epot=-2.397652e+05, Fnorm=2.830e+02, Fmax=1.689e+03 (atom 1330)
Step 5630, Epot=-2.397657e+05, Fnorm=2.882e+02, Fmax=1.749e+03 (atom 4156)
Step 5631, Epot=-2.397661e+05, Fnorm=2.891e+02, Fmax=1.734e+03 (atom 370)
Step 5632, Epot=-2.397666e+05, Fnorm=2.816e+02, Fmax=1.766e+03 (atom 1354)
Step 5633, Epot=-2.397671e+05, Fnorm=2.842e+02, Fmax=1.769e+03 (atom 4228)
Step 5634, Epot=-2.397676e+05, Fnorm=2.931e+02, Fmax=1.787e+03 (atom 1510)
Step 5635, Epot=-2.397681e+05, Fnorm=2.883e+02, Fmax=2.070e+03 (atom 4030)
Step 5636, Epot=-2.397686e+05, Fnorm=2.891e+02, Fmax=2.130e+03 (atom 3574)
Step 5637, Epot=-2.397690e+05, Fnorm=2.818e+02, Fmax=1.572e+03 (atom 2044)
Step 5638, Epot=-2.397695e+05, Fnorm=2.842e+02, Fmax=2.137e+03 (atom 2038)
Step 5639, Epot=-2.397700e+05, Fnorm=2.778e+02, Fmax=1.705e+03 (atom 664)
Step 5640, Epot=-2.397705e+05, Fnorm=2.853e+02, Fmax=1.578e+03 (atom 1504)
Step 5641, Epot=-2.397710e+05, Fnorm=2.824e+02, Fmax=1.505e+03 (atom 862)
Step 5642, Epot=-2.397716e+05, Fnorm=2.919e+02, Fmax=2.129e+03 (atom 3574)
Step 5643, Epot=-2.397722e+05, Fnorm=2.910e+02, Fmax=1.729e+03 (atom 1336)
Step 5644, Epot=-2.397728e+05, Fnorm=2.907e+02, Fmax=1.699e+03 (atom 4228)
Step 5645, Epot=-2.397734e+05, Fnorm=2.897e+02, Fmax=1.629e+03 (atom 2596)
Step 5646, Epot=-2.397740e+05, Fnorm=2.843e+02, Fmax=1.667e+03 (atom 6196)
Step 5647, Epot=-2.397745e+05, Fnorm=2.879e+02, Fmax=2.027e+03 (atom 5350)
Step 5648, Epot=-2.397750e+05, Fnorm=2.835e+02, Fmax=1.877e+03 (atom 1516)
Step 5649, Epot=-2.397755e+05, Fnorm=2.871e+02, Fmax=2.128e+03 (atom 3574)
Step 5650, Epot=-2.397761e+05, Fnorm=2.918e+02, Fmax=2.115e+03 (atom 3856)
Step 5651, Epot=-2.397767e+05, Fnorm=2.892e+02, Fmax=1.608e+03 (atom 1840)
Step 5652, Epot=-2.397772e+05, Fnorm=2.860e+02, Fmax=1.758e+03 (atom 598)
Step 5653, Epot=-2.397778e+05, Fnorm=2.780e+02, Fmax=1.556e+03 (atom 2908)
Step 5654, Epot=-2.397783e+05, Fnorm=2.868e+02, Fmax=1.568e+03 (atom 3454)
Step 5655, Epot=-2.397788e+05, Fnorm=2.810e+02, Fmax=1.529e+03 (atom 1354)
Step 5656, Epot=-2.397794e+05, Fnorm=2.802e+02, Fmax=1.711e+03 (atom 1774)
Step 5657, Epot=-2.397799e+05, Fnorm=2.811e+02, Fmax=1.606e+03 (atom 1330)
Step 5658, Epot=-2.397805e+05, Fnorm=2.850e+02, Fmax=1.900e+03 (atom 5548)
Step 5659, Epot=-2.397811e+05, Fnorm=2.809e+02, Fmax=1.671e+03 (atom 5620)
Step 5660, Epot=-2.397816e+05, Fnorm=2.891e+02, Fmax=1.681e+03 (atom 5704)
Step 5661, Epot=-2.397822e+05, Fnorm=2.856e+02, Fmax=1.693e+03 (atom 5884)
Step 5662, Epot=-2.397827e+05, Fnorm=2.809e+02, Fmax=1.780e+03 (atom 3520)
Step 5663, Epot=-2.397833e+05, Fnorm=2.774e+02, Fmax=1.788e+03 (atom 1510)
Step 5664, Epot=-2.397838e+05, Fnorm=2.821e+02, Fmax=1.824e+03 (atom 928)
Step 5665, Epot=-2.397843e+05, Fnorm=2.873e+02, Fmax=1.676e+03 (atom 5620)
Step 5666, Epot=-2.397849e+05, Fnorm=2.862e+02, Fmax=1.717e+03 (atom 4630)
Step 5667, Epot=-2.397855e+05, Fnorm=2.900e+02, Fmax=1.827e+03 (atom 3088)
Step 5668, Epot=-2.397861e+05, Fnorm=2.920e+02, Fmax=1.978e+03 (atom 1708)
Step 5669, Epot=-2.397867e+05, Fnorm=2.892e+02, Fmax=1.626e+03 (atom 2596)
Step 5670, Epot=-2.397873e+05, Fnorm=2.880e+02, Fmax=1.637e+03 (atom 6010)
Step 5671, Epot=-2.397880e+05, Fnorm=2.865e+02, Fmax=1.754e+03 (atom 3856)
Step 5672, Epot=-2.397886e+05, Fnorm=2.835e+02, Fmax=1.788e+03 (atom 3130)
Step 5673, Epot=-2.397892e+05, Fnorm=2.870e+02, Fmax=1.995e+03 (atom 4030)
Step 5674, Epot=-2.397899e+05, Fnorm=2.860e+02, Fmax=2.131e+03 (atom 3574)
Step 5675, Epot=-2.397906e+05, Fnorm=2.829e+02, Fmax=1.557e+03 (atom 868)
Step 5676, Epot=-2.397912e+05, Fnorm=2.813e+02, Fmax=1.986e+03 (atom 1708)
Step 5677, Epot=-2.397918e+05, Fnorm=2.836e+02, Fmax=1.751e+03 (atom 2596)
Step 5678, Epot=-2.397925e+05, Fnorm=2.871e+02, Fmax=1.980e+03 (atom 3316)
Step 5679, Epot=-2.397931e+05, Fnorm=2.862e+02, Fmax=1.617e+03 (atom 5290)
Step 5680, Epot=-2.397936e+05, Fnorm=2.778e+02, Fmax=1.789e+03 (atom 1510)
Step 5681, Epot=-2.397943e+05, Fnorm=2.763e+02, Fmax=1.731e+03 (atom 4228)
Step 5682, Epot=-2.397949e+05, Fnorm=2.904e+02, Fmax=1.497e+03 (atom 3838)
Step 5683, Epot=-2.397956e+05, Fnorm=2.884e+02, Fmax=1.496e+03 (atom 6016)
Step 5684, Epot=-2.397962e+05, Fnorm=2.858e+02, Fmax=1.632e+03 (atom 3442)
Step 5685, Epot=-2.397968e+05, Fnorm=2.929e+02, Fmax=1.551e+03 (atom 5422)
Step 5686, Epot=-2.397975e+05, Fnorm=2.807e+02, Fmax=1.551e+03 (atom 5422)
Step 5687, Epot=-2.397982e+05, Fnorm=2.910e+02, Fmax=1.451e+03 (atom 3826)
Step 5688, Epot=-2.397989e+05, Fnorm=2.886e+02, Fmax=1.959e+03 (atom 3130)
Step 5689, Epot=-2.397995e+05, Fnorm=2.889e+02, Fmax=1.979e+03 (atom 3316)
Step 5690, Epot=-2.398002e+05, Fnorm=2.806e+02, Fmax=1.978e+03 (atom 3316)
Step 5691, Epot=-2.398009e+05, Fnorm=2.826e+02, Fmax=1.645e+03 (atom 1774)
Step 5692, Epot=-2.398016e+05, Fnorm=2.851e+02, Fmax=2.223e+03 (atom 1336)
Step 5693, Epot=-2.398022e+05, Fnorm=2.838e+02, Fmax=2.223e+03 (atom 1336)
Step 5694, Epot=-2.398029e+05, Fnorm=2.881e+02, Fmax=1.744e+03 (atom 5218)
Step 5695, Epot=-2.398036e+05, Fnorm=2.878e+02, Fmax=1.582e+03 (atom 3964)
Step 5696, Epot=-2.398043e+05, Fnorm=2.925e+02, Fmax=1.773e+03 (atom 4498)
Step 5697, Epot=-2.398051e+05, Fnorm=2.915e+02, Fmax=1.656e+03 (atom 928)
Step 5698, Epot=-2.398058e+05, Fnorm=2.883e+02, Fmax=1.732e+03 (atom 598)
Step 5699, Epot=-2.398066e+05, Fnorm=2.873e+02, Fmax=1.843e+03 (atom 1774)
Step 5700, Epot=-2.398073e+05, Fnorm=2.856e+02, Fmax=1.745e+03 (atom 3724)
Step 5701, Epot=-2.398080e+05, Fnorm=2.813e+02, Fmax=1.622e+03 (atom 6010)
Step 5702, Epot=-2.398087e+05, Fnorm=2.815e+02, Fmax=1.736e+03 (atom 5686)
Step 5703, Epot=-2.398094e+05, Fnorm=2.807e+02, Fmax=2.055e+03 (atom 994)
Step 5704, Epot=-2.398100e+05, Fnorm=2.923e+02, Fmax=2.133e+03 (atom 3574)
Step 5705, Epot=-2.398108e+05, Fnorm=2.881e+02, Fmax=1.697e+03 (atom 1588)
Step 5706, Epot=-2.398116e+05, Fnorm=2.884e+02, Fmax=1.863e+03 (atom 3520)
Step 5707, Epot=-2.398124e+05, Fnorm=2.878e+02, Fmax=1.832e+03 (atom 3376)
Step 5708, Epot=-2.398132e+05, Fnorm=2.879e+02, Fmax=1.779e+03 (atom 1336)
Step 5709, Epot=-2.398141e+05, Fnorm=2.842e+02, Fmax=1.824e+03 (atom 3088)
Step 5710, Epot=-2.398149e+05, Fnorm=2.814e+02, Fmax=1.497e+03 (atom 586)
Step 5711, Epot=-2.398157e+05, Fnorm=2.881e+02, Fmax=1.572e+03 (atom 436)
Step 5712, Epot=-2.398167e+05, Fnorm=2.899e+02, Fmax=1.573e+03 (atom 436)
Step 5713, Epot=-2.398175e+05, Fnorm=2.916e+02, Fmax=1.983e+03 (atom 4030)
Step 5714, Epot=-2.398184e+05, Fnorm=2.882e+02, Fmax=1.765e+03 (atom 1336)
Step 5715, Epot=-2.398192e+05, Fnorm=2.882e+02, Fmax=1.802e+03 (atom 2038)
Step 5716, Epot=-2.398201e+05, Fnorm=2.861e+02, Fmax=2.131e+03 (atom 3574)
Step 5717, Epot=-2.398212e+05, Fnorm=2.966e+02, Fmax=1.726e+03 (atom 5338)
Step 5718, Epot=-2.398219e+05, Fnorm=2.936e+02, Fmax=1.784e+03 (atom 3724)
Step 5719, Epot=-2.398228e+05, Fnorm=2.923e+02, Fmax=1.780e+03 (atom 5944)
Step 5720, Epot=-2.398236e+05, Fnorm=2.816e+02, Fmax=1.941e+03 (atom 3316)
Step 5721, Epot=-2.398244e+05, Fnorm=2.875e+02, Fmax=1.993e+03 (atom 4030)
Step 5722, Epot=-2.398251e+05, Fnorm=2.825e+02, Fmax=1.889e+03 (atom 2968)
Step 5723, Epot=-2.398259e+05, Fnorm=2.812e+02, Fmax=1.595e+03 (atom 988)
Step 5724, Epot=-2.398266e+05, Fnorm=2.837e+02, Fmax=1.596e+03 (atom 988)
Step 5725, Epot=-2.398273e+05, Fnorm=2.883e+02, Fmax=1.589e+03 (atom 2392)
Step 5726, Epot=-2.398279e+05, Fnorm=2.811e+02, Fmax=1.683e+03 (atom 1774)
Step 5727, Epot=-2.398287e+05, Fnorm=2.796e+02, Fmax=1.565e+03 (atom 2704)
Step 5728, Epot=-2.398293e+05, Fnorm=2.812e+02, Fmax=1.663e+03 (atom 1330)
Step 5729, Epot=-2.398299e+05, Fnorm=2.860e+02, Fmax=1.664e+03 (atom 1330)
Step 5730, Epot=-2.398306e+05, Fnorm=2.850e+02, Fmax=1.854e+03 (atom 5878)
Step 5731, Epot=-2.398312e+05, Fnorm=2.925e+02, Fmax=1.678e+03 (atom 598)
Step 5732, Epot=-2.398318e+05, Fnorm=2.829e+02, Fmax=1.800e+03 (atom 4498)
Step 5733, Epot=-2.398324e+05, Fnorm=2.773e+02, Fmax=1.585e+03 (atom 2380)
Step 5734, Epot=-2.398329e+05, Fnorm=2.868e+02, Fmax=1.590e+03 (atom 3310)
Step 5735, Epot=-2.398335e+05, Fnorm=2.884e+02, Fmax=2.138e+03 (atom 1330)
Step 5736, Epot=-2.398342e+05, Fnorm=2.792e+02, Fmax=1.627e+03 (atom 3310)
Step 5737, Epot=-2.398347e+05, Fnorm=2.799e+02, Fmax=1.798e+03 (atom 4498)
Step 5738, Epot=-2.398352e+05, Fnorm=2.831e+02, Fmax=1.583e+03 (atom 826)
Step 5739, Epot=-2.398358e+05, Fnorm=2.877e+02, Fmax=2.007e+03 (atom 4030)
Step 5740, Epot=-2.398364e+05, Fnorm=2.902e+02, Fmax=1.675e+03 (atom 1588)
Step 5741, Epot=-2.398369e+05, Fnorm=2.856e+02, Fmax=1.914e+03 (atom 3898)
Step 5742, Epot=-2.398375e+05, Fnorm=2.775e+02, Fmax=1.595e+03 (atom 3310)
Step 5743, Epot=-2.398381e+05, Fnorm=2.832e+02, Fmax=1.987e+03 (atom 1708)
Step 5744, Epot=-2.398387e+05, Fnorm=2.846e+02, Fmax=1.762e+03 (atom 4318)
Step 5745, Epot=-2.398392e+05, Fnorm=2.889e+02, Fmax=1.759e+03 (atom 4318)
Step 5746, Epot=-2.398398e+05, Fnorm=2.879e+02, Fmax=1.671e+03 (atom 5014)
Step 5747, Epot=-2.398405e+05, Fnorm=2.935e+02, Fmax=1.940e+03 (atom 334)
Step 5748, Epot=-2.398411e+05, Fnorm=2.805e+02, Fmax=1.720e+03 (atom 1258)
Step 5749, Epot=-2.398417e+05, Fnorm=2.782e+02, Fmax=1.569e+03 (atom 562)
Step 5750, Epot=-2.398423e+05, Fnorm=2.913e+02, Fmax=1.646e+03 (atom 4630)
Step 5751, Epot=-2.398429e+05, Fnorm=2.830e+02, Fmax=1.638e+03 (atom 4156)
Step 5752, Epot=-2.398434e+05, Fnorm=2.840e+02, Fmax=1.861e+03 (atom 2836)
Step 5753, Epot=-2.398439e+05, Fnorm=2.855e+02, Fmax=2.221e+03 (atom 4498)
Step 5754, Epot=-2.398445e+05, Fnorm=2.874e+02, Fmax=2.220e+03 (atom 4498)
Step 5755, Epot=-2.398450e+05, Fnorm=2.854e+02, Fmax=1.553e+03 (atom 3904)
Step 5756, Epot=-2.398456e+05, Fnorm=2.873e+02, Fmax=1.586e+03 (atom 5620)
Step 5757, Epot=-2.398461e+05, Fnorm=2.774e+02, Fmax=1.577e+03 (atom 1180)
Step 5758, Epot=-2.398467e+05, Fnorm=2.800e+02, Fmax=1.577e+03 (atom 1180)
Step 5759, Epot=-2.398472e+05, Fnorm=2.891e+02, Fmax=1.501e+03 (atom 5146)
Step 5760, Epot=-2.398478e+05, Fnorm=2.848e+02, Fmax=1.769e+03 (atom 3676)
Step 5761, Epot=-2.398483e+05, Fnorm=2.840e+02, Fmax=2.595e+03 (atom 2836)
Step 5762, Epot=-2.398489e+05, Fnorm=2.889e+02, Fmax=2.593e+03 (atom 2836)
Step 5763, Epot=-2.398494e+05, Fnorm=2.788e+02, Fmax=1.519e+03 (atom 5938)
Step 5764, Epot=-2.398499e+05, Fnorm=2.833e+02, Fmax=1.842e+03 (atom 3376)
Step 5765, Epot=-2.398505e+05, Fnorm=2.835e+02, Fmax=1.843e+03 (atom 3376)
Step 5766, Epot=-2.398510e+05, Fnorm=2.818e+02, Fmax=2.082e+03 (atom 2038)
Step 5767, Epot=-2.398515e+05, Fnorm=2.802e+02, Fmax=2.066e+03 (atom 3130)
Step 5768, Epot=-2.398521e+05, Fnorm=2.833e+02, Fmax=2.023e+03 (atom 4030)
Step 5769, Epot=-2.398526e+05, Fnorm=2.856e+02, Fmax=1.616e+03 (atom 4030)
Step 5770, Epot=-2.398531e+05, Fnorm=2.777e+02, Fmax=1.640e+03 (atom 1330)
Step 5771, Epot=-2.398536e+05, Fnorm=2.789e+02, Fmax=1.605e+03 (atom 5704)
Step 5772, Epot=-2.398540e+05, Fnorm=2.795e+02, Fmax=1.748e+03 (atom 370)
Step 5773, Epot=-2.398546e+05, Fnorm=2.851e+02, Fmax=1.798e+03 (atom 1510)
Step 5774, Epot=-2.398551e+05, Fnorm=2.856e+02, Fmax=1.747e+03 (atom 5686)
Step 5775, Epot=-2.398557e+05, Fnorm=2.876e+02, Fmax=1.535e+03 (atom 3448)
Step 5776, Epot=-2.398562e+05, Fnorm=2.834e+02, Fmax=1.655e+03 (atom 3304)
Step 5777, Epot=-2.398566e+05, Fnorm=2.828e+02, Fmax=1.715e+03 (atom 1858)
Step 5778, Epot=-2.398572e+05, Fnorm=2.902e+02, Fmax=2.029e+03 (atom 4030)
Step 5779, Epot=-2.398578e+05, Fnorm=2.868e+02, Fmax=1.538e+03 (atom 436)
Step 5780, Epot=-2.398583e+05, Fnorm=2.858e+02, Fmax=1.475e+03 (atom 586)
Step 5781, Epot=-2.398588e+05, Fnorm=2.894e+02, Fmax=1.917e+03 (atom 3130)
Step 5782, Epot=-2.398592e+05, Fnorm=2.837e+02, Fmax=1.718e+03 (atom 3724)
Step 5783, Epot=-2.398598e+05, Fnorm=2.839e+02, Fmax=1.623e+03 (atom 4030)
Step 5784, Epot=-2.398603e+05, Fnorm=2.831e+02, Fmax=1.606e+03 (atom 928)
Step 5785, Epot=-2.398608e+05, Fnorm=2.850e+02, Fmax=1.551e+03 (atom 2704)
Step 5786, Epot=-2.398613e+05, Fnorm=2.817e+02, Fmax=1.454e+03 (atom 292)
Step 5787, Epot=-2.398618e+05, Fnorm=2.893e+02, Fmax=1.883e+03 (atom 5296)
Step 5788, Epot=-2.398623e+05, Fnorm=2.759e+02, Fmax=1.465e+03 (atom 586)
Step 5789, Epot=-2.398628e+05, Fnorm=2.870e+02, Fmax=1.794e+03 (atom 1510)
Step 5790, Epot=-2.398632e+05, Fnorm=2.863e+02, Fmax=1.776e+03 (atom 4498)
Step 5791, Epot=-2.398637e+05, Fnorm=2.806e+02, Fmax=1.832e+03 (atom 826)
Step 5792, Epot=-2.398642e+05, Fnorm=2.803e+02, Fmax=1.606e+03 (atom 928)
Step 5793, Epot=-2.398646e+05, Fnorm=2.858e+02, Fmax=1.608e+03 (atom 2596)
Step 5794, Epot=-2.398651e+05, Fnorm=2.824e+02, Fmax=1.491e+03 (atom 5938)
Step 5795, Epot=-2.398655e+05, Fnorm=2.867e+02, Fmax=1.654e+03 (atom 4156)
Step 5796, Epot=-2.398659e+05, Fnorm=2.830e+02, Fmax=1.777e+03 (atom 4498)
Step 5797, Epot=-2.398663e+05, Fnorm=2.891e+02, Fmax=2.207e+03 (atom 4498)
Step 5798, Epot=-2.398668e+05, Fnorm=2.823e+02, Fmax=1.555e+03 (atom 2704)
Step 5799, Epot=-2.398672e+05, Fnorm=2.838e+02, Fmax=2.031e+03 (atom 4030)
Step 5800, Epot=-2.398677e+05, Fnorm=2.842e+02, Fmax=2.138e+03 (atom 3574)
Step 5801, Epot=-2.398681e+05, Fnorm=2.904e+02, Fmax=1.668e+03 (atom 4006)
Step 5802, Epot=-2.398685e+05, Fnorm=2.912e+02, Fmax=1.711e+03 (atom 1258)
Step 5803, Epot=-2.398691e+05, Fnorm=2.987e+02, Fmax=2.026e+03 (atom 466)
Step 5804, Epot=-2.398695e+05, Fnorm=2.935e+02, Fmax=1.798e+03 (atom 5014)
Step 5805, Epot=-2.398700e+05, Fnorm=2.851e+02, Fmax=1.644e+03 (atom 3442)
Step 5806, Epot=-2.398705e+05, Fnorm=2.747e+02, Fmax=1.542e+03 (atom 3382)
Step 5807, Epot=-2.398709e+05, Fnorm=2.772e+02, Fmax=1.583e+03 (atom 3046)
Step 5808, Epot=-2.398713e+05, Fnorm=2.826e+02, Fmax=1.574e+03 (atom 988)
Step 5809, Epot=-2.398717e+05, Fnorm=2.861e+02, Fmax=1.559e+03 (atom 2908)
Step 5810, Epot=-2.398722e+05, Fnorm=2.881e+02, Fmax=1.520e+03 (atom 2392)
Step 5811, Epot=-2.398726e+05, Fnorm=2.910e+02, Fmax=1.755e+03 (atom 3676)
Step 5812, Epot=-2.398730e+05, Fnorm=2.943e+02, Fmax=2.209e+03 (atom 4498)
Step 5813, Epot=-2.398734e+05, Fnorm=2.807e+02, Fmax=1.692e+03 (atom 4228)
Step 5814, Epot=-2.398738e+05, Fnorm=2.816e+02, Fmax=1.565e+03 (atom 5080)
Step 5815, Epot=-2.398742e+05, Fnorm=2.825e+02, Fmax=1.568e+03 (atom 2704)
Step 5816, Epot=-2.398746e+05, Fnorm=2.814e+02, Fmax=1.670e+03 (atom 2836)
Step 5817, Epot=-2.398751e+05, Fnorm=2.843e+02, Fmax=1.721e+03 (atom 1588)
Step 5818, Epot=-2.398755e+05, Fnorm=2.865e+02, Fmax=1.693e+03 (atom 664)
Step 5819, Epot=-2.398760e+05, Fnorm=2.910e+02, Fmax=1.598e+03 (atom 5350)
Step 5820, Epot=-2.398764e+05, Fnorm=2.837e+02, Fmax=2.210e+03 (atom 4498)
Step 5821, Epot=-2.398768e+05, Fnorm=2.873e+02, Fmax=1.583e+03 (atom 3904)
Step 5822, Epot=-2.398772e+05, Fnorm=2.845e+02, Fmax=1.849e+03 (atom 1354)
Step 5823, Epot=-2.398776e+05, Fnorm=2.886e+02, Fmax=1.667e+03 (atom 994)
Step 5824, Epot=-2.398781e+05, Fnorm=2.909e+02, Fmax=1.761e+03 (atom 598)
Step 5825, Epot=-2.398786e+05, Fnorm=2.878e+02, Fmax=1.489e+03 (atom 5236)
Step 5826, Epot=-2.398790e+05, Fnorm=2.799e+02, Fmax=1.457e+03 (atom 388)
Step 5827, Epot=-2.398795e+05, Fnorm=2.888e+02, Fmax=2.049e+03 (atom 2194)
Step 5828, Epot=-2.398799e+05, Fnorm=2.924e+02, Fmax=2.047e+03 (atom 2194)
Step 5829, Epot=-2.398804e+05, Fnorm=2.881e+02, Fmax=1.717e+03 (atom 1588)
Step 5830, Epot=-2.398808e+05, Fnorm=2.777e+02, Fmax=2.043e+03 (atom 4030)
Step 5831, Epot=-2.398813e+05, Fnorm=2.866e+02, Fmax=1.782e+03 (atom 4498)
Step 5832, Epot=-2.398817e+05, Fnorm=2.881e+02, Fmax=2.083e+03 (atom 664)
Step 5833, Epot=-2.398822e+05, Fnorm=2.831e+02, Fmax=1.574e+03 (atom 6082)
Step 5834, Epot=-2.398826e+05, Fnorm=2.818e+02, Fmax=1.451e+03 (atom 520)
Step 5835, Epot=-2.398831e+05, Fnorm=2.823e+02, Fmax=1.723e+03 (atom 3574)
Step 5836, Epot=-2.398834e+05, Fnorm=2.829e+02, Fmax=1.723e+03 (atom 3574)
Step 5837, Epot=-2.398839e+05, Fnorm=2.822e+02, Fmax=1.528e+03 (atom 3910)
Step 5838, Epot=-2.398844e+05, Fnorm=2.855e+02, Fmax=1.409e+03 (atom 1708)
Step 5839, Epot=-2.398849e+05, Fnorm=2.882e+02, Fmax=1.570e+03 (atom 2044)
Step 5840, Epot=-2.398853e+05, Fnorm=2.886e+02, Fmax=1.654e+03 (atom 4156)
Step 5841, Epot=-2.398859e+05, Fnorm=2.825e+02, Fmax=1.624e+03 (atom 4498)
Step 5842, Epot=-2.398864e+05, Fnorm=2.805e+02, Fmax=1.492e+03 (atom 2098)
Step 5843, Epot=-2.398868e+05, Fnorm=2.835e+02, Fmax=2.458e+03 (atom 2770)
Step 5844, Epot=-2.398872e+05, Fnorm=2.802e+02, Fmax=2.364e+03 (atom 3442)
Step 5845, Epot=-2.398878e+05, Fnorm=2.762e+02, Fmax=1.624e+03 (atom 2596)
Step 5846, Epot=-2.398882e+05, Fnorm=2.900e+02, Fmax=2.260e+03 (atom 1126)
Step 5847, Epot=-2.398886e+05, Fnorm=2.944e+02, Fmax=1.778e+03 (atom 3508)
Step 5848, Epot=-2.398891e+05, Fnorm=2.862e+02, Fmax=1.638e+03 (atom 5824)
Step 5849, Epot=-2.398894e+05, Fnorm=2.823e+02, Fmax=1.637e+03 (atom 5824)
Step 5850, Epot=-2.398898e+05, Fnorm=2.825e+02, Fmax=1.580e+03 (atom 3268)
Step 5851, Epot=-2.398903e+05, Fnorm=2.902e+02, Fmax=1.580e+03 (atom 3454)
Step 5852, Epot=-2.398908e+05, Fnorm=2.881e+02, Fmax=2.217e+03 (atom 4498)
Step 5853, Epot=-2.398912e+05, Fnorm=2.866e+02, Fmax=1.862e+03 (atom 562)
Step 5854, Epot=-2.398915e+05, Fnorm=2.868e+02, Fmax=2.250e+03 (atom 4696)
Step 5855, Epot=-2.398920e+05, Fnorm=2.847e+02, Fmax=1.481e+03 (atom 2710)
Step 5856, Epot=-2.398924e+05, Fnorm=2.915e+02, Fmax=1.522e+03 (atom 1618)
Step 5857, Epot=-2.398928e+05, Fnorm=2.864e+02, Fmax=1.541e+03 (atom 952)
Step 5858, Epot=-2.398932e+05, Fnorm=2.862e+02, Fmax=1.837e+03 (atom 3376)
Step 5859, Epot=-2.398935e+05, Fnorm=2.883e+02, Fmax=1.732e+03 (atom 3574)
Step 5860, Epot=-2.398939e+05, Fnorm=2.865e+02, Fmax=1.732e+03 (atom 3574)
Step 5861, Epot=-2.398943e+05, Fnorm=2.814e+02, Fmax=1.609e+03 (atom 3676)
Step 5862, Epot=-2.398948e+05, Fnorm=2.841e+02, Fmax=2.026e+03 (atom 5350)
Step 5863, Epot=-2.398952e+05, Fnorm=2.855e+02, Fmax=1.583e+03 (atom 6082)
Step 5864, Epot=-2.398957e+05, Fnorm=2.867e+02, Fmax=1.636e+03 (atom 3442)
Step 5865, Epot=-2.398961e+05, Fnorm=2.909e+02, Fmax=1.707e+03 (atom 1588)
Step 5866, Epot=-2.398966e+05, Fnorm=2.930e+02, Fmax=2.483e+03 (atom 3508)
Step 5867, Epot=-2.398969e+05, Fnorm=2.866e+02, Fmax=1.654e+03 (atom 4156)
Step 5868, Epot=-2.398974e+05, Fnorm=2.815e+02, Fmax=1.516e+03 (atom 5434)
Step 5869, Epot=-2.398978e+05, Fnorm=2.773e+02, Fmax=1.456e+03 (atom 2968)
Step 5870, Epot=-2.398982e+05, Fnorm=2.868e+02, Fmax=1.752e+03 (atom 826)
Step 5871, Epot=-2.398988e+05, Fnorm=2.928e+02, Fmax=1.752e+03 (atom 826)
Step 5872, Epot=-2.398992e+05, Fnorm=2.901e+02, Fmax=1.736e+03 (atom 4156)
Step 5873, Epot=-2.398997e+05, Fnorm=2.855e+02, Fmax=1.735e+03 (atom 4156)
Step 5874, Epot=-2.399001e+05, Fnorm=2.825e+02, Fmax=1.572e+03 (atom 4996)
Step 5875, Epot=-2.399005e+05, Fnorm=2.803e+02, Fmax=1.776e+03 (atom 1336)
Step 5876, Epot=-2.399009e+05, Fnorm=2.832e+02, Fmax=1.551e+03 (atom 4390)
Step 5877, Epot=-2.399014e+05, Fnorm=2.794e+02, Fmax=2.215e+03 (atom 4498)
Step 5878, Epot=-2.399017e+05, Fnorm=2.867e+02, Fmax=1.634e+03 (atom 928)
Step 5879, Epot=-2.399022e+05, Fnorm=2.904e+02, Fmax=1.769e+03 (atom 3130)
Step 5880, Epot=-2.399026e+05, Fnorm=2.881e+02, Fmax=1.860e+03 (atom 5878)
Step 5881, Epot=-2.399030e+05, Fnorm=2.911e+02, Fmax=1.604e+03 (atom 6064)
Step 5882, Epot=-2.399034e+05, Fnorm=2.874e+02, Fmax=1.603e+03 (atom 6064)
Step 5883, Epot=-2.399038e+05, Fnorm=2.839e+02, Fmax=1.564e+03 (atom 1330)
Step 5884, Epot=-2.399042e+05, Fnorm=2.858e+02, Fmax=1.762e+03 (atom 1192)
Step 5885, Epot=-2.399046e+05, Fnorm=2.872e+02, Fmax=1.607e+03 (atom 5290)
Step 5886, Epot=-2.399049e+05, Fnorm=2.780e+02, Fmax=1.840e+03 (atom 2038)
Step 5887, Epot=-2.399052e+05, Fnorm=2.828e+02, Fmax=1.521e+03 (atom 4030)
Step 5888, Epot=-2.399055e+05, Fnorm=2.875e+02, Fmax=1.600e+03 (atom 1354)
Step 5889, Epot=-2.399059e+05, Fnorm=2.820e+02, Fmax=1.927e+03 (atom 1708)
Step 5890, Epot=-2.399062e+05, Fnorm=2.776e+02, Fmax=1.556e+03 (atom 4912)
Step 5891, Epot=-2.399065e+05, Fnorm=2.857e+02, Fmax=2.080e+03 (atom 4564)
Step 5892, Epot=-2.399068e+05, Fnorm=2.848e+02, Fmax=1.785e+03 (atom 4498)
Step 5893, Epot=-2.399072e+05, Fnorm=2.866e+02, Fmax=2.106e+03 (atom 1330)
Step 5894, Epot=-2.399076e+05, Fnorm=2.874e+02, Fmax=2.107e+03 (atom 1330)
Step 5895, Epot=-2.399078e+05, Fnorm=2.928e+02, Fmax=1.638e+03 (atom 3442)
Step 5896, Epot=-2.399082e+05, Fnorm=2.862e+02, Fmax=1.659e+03 (atom 1126)
Step 5897, Epot=-2.399085e+05, Fnorm=2.886e+02, Fmax=1.750e+03 (atom 370)
Step 5898, Epot=-2.398855e+05, Fnorm=2.813e+02, Fmax=1.342e+03 (atom 5536)
Step 5899, Epot=-2.398858e+05, Fnorm=2.834e+02, Fmax=2.112e+03 (atom 1330)
Step 5900, Epot=-2.398862e+05, Fnorm=2.795e+02, Fmax=2.112e+03 (atom 1330)
Step 5901, Epot=-2.398865e+05, Fnorm=2.799e+02, Fmax=1.585e+03 (atom 5608)
Step 5902, Epot=-2.399103e+05, Fnorm=2.806e+02, Fmax=1.703e+03 (atom 4228)
Step 5903, Epot=-2.399107e+05, Fnorm=2.785e+02, Fmax=1.493e+03 (atom 4996)
Step 5904, Epot=-2.398875e+05, Fnorm=2.828e+02, Fmax=2.030e+03 (atom 5350)
Step 5905, Epot=-2.398879e+05, Fnorm=2.795e+02, Fmax=1.540e+03 (atom 436)
Step 5906, Epot=-2.398882e+05, Fnorm=2.809e+02, Fmax=1.709e+03 (atom 1774)
Step 5907, Epot=-2.398886e+05, Fnorm=2.893e+02, Fmax=1.926e+03 (atom 1708)
Step 5908, Epot=-2.398889e+05, Fnorm=2.869e+02, Fmax=1.566e+03 (atom 1780)
Step 5909, Epot=-2.398893e+05, Fnorm=2.857e+02, Fmax=1.535e+03 (atom 2044)
Step 5910, Epot=-2.398896e+05, Fnorm=2.862e+02, Fmax=1.627e+03 (atom 5824)
Step 5911, Epot=-2.398899e+05, Fnorm=2.782e+02, Fmax=1.598e+03 (atom 2704)
Step 5912, Epot=-2.398902e+05, Fnorm=2.858e+02, Fmax=1.870e+03 (atom 3520)
Step 5913, Epot=-2.398905e+05, Fnorm=2.829e+02, Fmax=1.536e+03 (atom 5686)
Step 5914, Epot=-2.398908e+05, Fnorm=2.819e+02, Fmax=1.779e+03 (atom 4498)
Step 5915, Epot=-2.398911e+05, Fnorm=2.813e+02, Fmax=1.480e+03 (atom 3304)
Step 5916, Epot=-2.398915e+05, Fnorm=2.892e+02, Fmax=1.650e+03 (atom 3310)
Step 5917, Epot=-2.398918e+05, Fnorm=2.841e+02, Fmax=1.475e+03 (atom 3892)
Step 5918, Epot=-2.398922e+05, Fnorm=2.847e+02, Fmax=1.505e+03 (atom 5434)
Step 5919, Epot=-2.398925e+05, Fnorm=2.855e+02, Fmax=1.691e+03 (atom 1066)
Step 5920, Epot=-2.398928e+05, Fnorm=2.867e+02, Fmax=1.762e+03 (atom 3508)
Step 5921, Epot=-2.398932e+05, Fnorm=2.855e+02, Fmax=1.673e+03 (atom 916)
Step 5922, Epot=-2.398936e+05, Fnorm=2.867e+02, Fmax=1.501e+03 (atom 5938)
Step 5923, Epot=-2.398940e+05, Fnorm=2.877e+02, Fmax=2.025e+03 (atom 4330)
Step 5924, Epot=-2.398942e+05, Fnorm=2.818e+02, Fmax=1.469e+03 (atom 1330)
Step 5925, Epot=-2.398947e+05, Fnorm=2.888e+02, Fmax=1.534e+03 (atom 5152)
Step 5926, Epot=-2.398951e+05, Fnorm=2.876e+02, Fmax=1.697e+03 (atom 5608)
Step 5927, Epot=-2.398954e+05, Fnorm=2.905e+02, Fmax=1.944e+03 (atom 334)
Step 5928, Epot=-2.398958e+05, Fnorm=2.812e+02, Fmax=1.696e+03 (atom 5608)
Step 5929, Epot=-2.398961e+05, Fnorm=2.791e+02, Fmax=1.579e+03 (atom 2392)
Step 5930, Epot=-2.398965e+05, Fnorm=2.781e+02, Fmax=1.405e+03 (atom 2902)
Step 5931, Epot=-2.398968e+05, Fnorm=2.835e+02, Fmax=1.643e+03 (atom 6010)
Step 5932, Epot=-2.398972e+05, Fnorm=2.910e+02, Fmax=1.745e+03 (atom 598)
Step 5933, Epot=-2.398975e+05, Fnorm=2.829e+02, Fmax=1.723e+03 (atom 4156)
Step 5934, Epot=-2.398978e+05, Fnorm=2.890e+02, Fmax=1.755e+03 (atom 1354)
Step 5935, Epot=-2.398981e+05, Fnorm=2.835e+02, Fmax=1.930e+03 (atom 1708)
Step 5936, Epot=-2.398985e+05, Fnorm=2.816e+02, Fmax=1.606e+03 (atom 4030)
Step 5937, Epot=-2.398988e+05, Fnorm=2.796e+02, Fmax=1.618e+03 (atom 4984)
Step 5938, Epot=-2.398991e+05, Fnorm=2.832e+02, Fmax=1.640e+03 (atom 1840)
Step 5939, Epot=-2.398993e+05, Fnorm=2.835e+02, Fmax=1.637e+03 (atom 562)
Step 5940, Epot=-2.398997e+05, Fnorm=2.884e+02, Fmax=1.760e+03 (atom 3508)
Step 5941, Epot=-2.399000e+05, Fnorm=2.901e+02, Fmax=1.743e+03 (atom 3676)
Step 5942, Epot=-2.399002e+05, Fnorm=2.788e+02, Fmax=1.617e+03 (atom 6082)
Step 5943, Epot=-2.399006e+05, Fnorm=2.836e+02, Fmax=1.752e+03 (atom 5686)
Step 5944, Epot=-2.399009e+05, Fnorm=2.832e+02, Fmax=2.014e+03 (atom 4030)
Step 5945, Epot=-2.399012e+05, Fnorm=2.861e+02, Fmax=1.655e+03 (atom 3310)
Step 5946, Epot=-2.399015e+05, Fnorm=2.901e+02, Fmax=1.930e+03 (atom 1708)
Step 5947, Epot=-2.399019e+05, Fnorm=2.852e+02, Fmax=2.110e+03 (atom 1330)
Step 5948, Epot=-2.399022e+05, Fnorm=2.787e+02, Fmax=1.476e+03 (atom 2098)
Step 5949, Epot=-2.399025e+05, Fnorm=2.821e+02, Fmax=1.978e+03 (atom 466)
Step 5950, Epot=-2.399028e+05, Fnorm=2.829e+02, Fmax=1.762e+03 (atom 3508)
Step 5951, Epot=-2.399031e+05, Fnorm=2.768e+02, Fmax=1.598e+03 (atom 988)
Step 5952, Epot=-2.399034e+05, Fnorm=2.798e+02, Fmax=1.637e+03 (atom 1840)
Step 5953, Epot=-2.399037e+05, Fnorm=2.807e+02, Fmax=2.083e+03 (atom 664)
Step 5954, Epot=-2.399040e+05, Fnorm=2.764e+02, Fmax=1.594e+03 (atom 2704)
Step 5955, Epot=-2.399042e+05, Fnorm=2.838e+02, Fmax=1.621e+03 (atom 2596)
Step 5956, Epot=-2.399045e+05, Fnorm=2.894e+02, Fmax=1.725e+03 (atom 3574)
Step 5957, Epot=-2.399048e+05, Fnorm=2.856e+02, Fmax=1.791e+03 (atom 3088)
Step 5958, Epot=-2.399051e+05, Fnorm=2.866e+02, Fmax=1.644e+03 (atom 3310)
Step 5959, Epot=-2.399054e+05, Fnorm=2.814e+02, Fmax=1.495e+03 (atom 334)
Step 5960, Epot=-2.399057e+05, Fnorm=2.789e+02, Fmax=1.754e+03 (atom 1354)
Step 5961, Epot=-2.399060e+05, Fnorm=2.867e+02, Fmax=1.748e+03 (atom 370)
Step 5962, Epot=-2.399062e+05, Fnorm=2.893e+02, Fmax=1.637e+03 (atom 4156)
Step 5963, Epot=-2.399064e+05, Fnorm=2.721e+02, Fmax=1.548e+03 (atom 3382)
Step 5964, Epot=-2.399068e+05, Fnorm=2.838e+02, Fmax=1.925e+03 (atom 5812)
Step 5965, Epot=-2.399070e+05, Fnorm=2.830e+02, Fmax=1.775e+03 (atom 1510)
Step 5966, Epot=-2.399073e+05, Fnorm=2.817e+02, Fmax=2.110e+03 (atom 2836)
Step 5967, Epot=-2.399076e+05, Fnorm=2.885e+02, Fmax=1.731e+03 (atom 5218)
Step 5968, Epot=-2.399078e+05, Fnorm=2.878e+02, Fmax=1.741e+03 (atom 562)
Step 5969, Epot=-2.399081e+05, Fnorm=2.875e+02, Fmax=2.111e+03 (atom 1330)
Step 5970, Epot=-2.399083e+05, Fnorm=2.819e+02, Fmax=1.748e+03 (atom 370)
Step 5971, Epot=-2.399087e+05, Fnorm=2.767e+02, Fmax=1.544e+03 (atom 5422)
Step 5972, Epot=-2.399089e+05, Fnorm=2.857e+02, Fmax=1.755e+03 (atom 1354)
Step 5973, Epot=-2.399092e+05, Fnorm=2.805e+02, Fmax=1.696e+03 (atom 664)
Step 5974, Epot=-2.399094e+05, Fnorm=2.805e+02, Fmax=1.510e+03 (atom 664)
Step 5975, Epot=-2.399097e+05, Fnorm=2.871e+02, Fmax=1.758e+03 (atom 3676)
Step 5976, Epot=-2.399100e+05, Fnorm=2.884e+02, Fmax=1.771e+03 (atom 3724)
Step 5977, Epot=-2.399102e+05, Fnorm=2.798e+02, Fmax=1.844e+03 (atom 4228)
Step 5978, Epot=-2.399106e+05, Fnorm=2.821e+02, Fmax=1.547e+03 (atom 3376)
Step 5979, Epot=-2.399108e+05, Fnorm=2.826e+02, Fmax=2.075e+03 (atom 3034)
Step 5980, Epot=-2.399110e+05, Fnorm=2.784e+02, Fmax=1.581e+03 (atom 2770)
Step 5981, Epot=-2.399113e+05, Fnorm=2.744e+02, Fmax=1.777e+03 (atom 3088)
Step 5982, Epot=-2.399116e+05, Fnorm=2.797e+02, Fmax=1.642e+03 (atom 4156)
Step 5983, Epot=-2.399118e+05, Fnorm=2.867e+02, Fmax=1.633e+03 (atom 3310)
Step 5984, Epot=-2.399120e+05, Fnorm=2.902e+02, Fmax=1.590e+03 (atom 988)
Step 5985, Epot=-2.399124e+05, Fnorm=2.864e+02, Fmax=1.589e+03 (atom 988)
Step 5986, Epot=-2.399126e+05, Fnorm=2.880e+02, Fmax=1.754e+03 (atom 1354)
Step 5987, Epot=-2.399129e+05, Fnorm=2.830e+02, Fmax=1.544e+03 (atom 3724)
Step 5988, Epot=-2.399132e+05, Fnorm=2.864e+02, Fmax=2.207e+03 (atom 4498)
Step 5989, Epot=-2.399134e+05, Fnorm=2.856e+02, Fmax=1.722e+03 (atom 3574)
Step 5990, Epot=-2.399138e+05, Fnorm=2.898e+02, Fmax=1.640e+03 (atom 916)
Step 5991, Epot=-2.399141e+05, Fnorm=2.864e+02, Fmax=1.644e+03 (atom 3442)
Step 5992, Epot=-2.399143e+05, Fnorm=2.866e+02, Fmax=2.219e+03 (atom 4156)
Step 5993, Epot=-2.399146e+05, Fnorm=2.795e+02, Fmax=1.667e+03 (atom 4006)
Step 5994, Epot=-2.399148e+05, Fnorm=2.763e+02, Fmax=1.780e+03 (atom 4498)
Step 5995, Epot=-2.399151e+05, Fnorm=2.775e+02, Fmax=1.434e+03 (atom 586)
Step 5996, Epot=-2.399154e+05, Fnorm=2.873e+02, Fmax=1.629e+03 (atom 3310)
Step 5997, Epot=-2.399157e+05, Fnorm=2.841e+02, Fmax=1.453e+03 (atom 3502)
Step 5998, Epot=-2.399159e+05, Fnorm=2.867e+02, Fmax=1.628e+03 (atom 3310)
Step 5999, Epot=-2.399162e+05, Fnorm=2.785e+02, Fmax=1.755e+03 (atom 1354)
Step 6000, Epot=-2.399164e+05, Fnorm=2.742e+02, Fmax=1.419e+03 (atom 5236)
Step 6001, Epot=-2.399167e+05, Fnorm=2.785e+02, Fmax=1.857e+03 (atom 562)
Step 6002, Epot=-2.399169e+05, Fnorm=2.775e+02, Fmax=2.209e+03 (atom 4498)
Step 6003, Epot=-2.399171e+05, Fnorm=2.778e+02, Fmax=1.550e+03 (atom 3910)
Step 6004, Epot=-2.399174e+05, Fnorm=2.729e+02, Fmax=1.790e+03 (atom 1330)
Step 6005, Epot=-2.399176e+05, Fnorm=2.837e+02, Fmax=1.506e+03 (atom 982)
Step 6006, Epot=-2.399179e+05, Fnorm=2.833e+02, Fmax=1.883e+03 (atom 3898)
Step 6007, Epot=-2.399181e+05, Fnorm=2.829e+02, Fmax=1.831e+03 (atom 922)
Step 6008, Epot=-2.399418e+05, Fnorm=2.773e+02, Fmax=1.947e+03 (atom 1708)
Step 6009, Epot=-2.399419e+05, Fnorm=2.853e+02, Fmax=1.720e+03 (atom 3574)
Step 6010, Epot=-2.399422e+05, Fnorm=2.767e+02, Fmax=2.060e+03 (atom 2194)
Step 6011, Epot=-2.399424e+05, Fnorm=2.800e+02, Fmax=1.743e+03 (atom 826)
Step 6012, Epot=-2.399426e+05, Fnorm=2.815e+02, Fmax=1.662e+03 (atom 562)
Step 6013, Epot=-2.399429e+05, Fnorm=2.852e+02, Fmax=1.642e+03 (atom 4156)
Step 6014, Epot=-2.399431e+05, Fnorm=2.879e+02, Fmax=1.636e+03 (atom 5350)
Step 6015, Epot=-2.399433e+05, Fnorm=2.907e+02, Fmax=1.714e+03 (atom 3310)
Step 6016, Epot=-2.399436e+05, Fnorm=2.903e+02, Fmax=2.131e+03 (atom 3574)
Step 6017, Epot=-2.399437e+05, Fnorm=2.841e+02, Fmax=1.742e+03 (atom 1192)
Step 6018, Epot=-2.399439e+05, Fnorm=2.727e+02, Fmax=1.612e+03 (atom 3310)
Step 6019, Epot=-2.399441e+05, Fnorm=2.761e+02, Fmax=1.727e+03 (atom 4156)
Step 6020, Epot=-2.399443e+05, Fnorm=2.805e+02, Fmax=1.851e+03 (atom 562)
Step 6021, Epot=-2.399446e+05, Fnorm=2.860e+02, Fmax=1.951e+03 (atom 1708)
Step 6022, Epot=-2.399447e+05, Fnorm=2.881e+02, Fmax=1.950e+03 (atom 5422)
Step 6023, Epot=-2.399450e+05, Fnorm=2.829e+02, Fmax=1.772e+03 (atom 3088)
Step 6024, Epot=-2.399452e+05, Fnorm=2.801e+02, Fmax=1.610e+03 (atom 1840)
Step 6025, Epot=-2.399454e+05, Fnorm=2.774e+02, Fmax=1.508e+03 (atom 3910)
Step 6026, Epot=-2.399456e+05, Fnorm=2.850e+02, Fmax=1.545e+03 (atom 2044)
Step 6027, Epot=-2.399458e+05, Fnorm=2.861e+02, Fmax=1.584e+03 (atom 3376)
Step 6028, Epot=-2.399461e+05, Fnorm=2.870e+02, Fmax=1.644e+03 (atom 4156)
Step 6029, Epot=-2.399463e+05, Fnorm=2.848e+02, Fmax=1.603e+03 (atom 3310)
Step 6030, Epot=-2.399465e+05, Fnorm=2.839e+02, Fmax=1.610e+03 (atom 3310)
Step 6031, Epot=-2.399467e+05, Fnorm=2.863e+02, Fmax=1.719e+03 (atom 1516)
Step 6032, Epot=-2.399469e+05, Fnorm=2.827e+02, Fmax=1.554e+03 (atom 3910)
Step 6033, Epot=-2.399471e+05, Fnorm=2.804e+02, Fmax=1.608e+03 (atom 3376)
Step 6034, Epot=-2.399474e+05, Fnorm=2.793e+02, Fmax=1.517e+03 (atom 2392)
Step 6035, Epot=-2.399475e+05, Fnorm=2.837e+02, Fmax=1.776e+03 (atom 3520)
Step 6036, Epot=-2.399478e+05, Fnorm=2.858e+02, Fmax=1.647e+03 (atom 4156)
Step 6037, Epot=-2.399479e+05, Fnorm=2.857e+02, Fmax=2.210e+03 (atom 4498)
Step 6038, Epot=-2.399482e+05, Fnorm=2.829e+02, Fmax=1.769e+03 (atom 3508)
Step 6039, Epot=-2.399484e+05, Fnorm=2.774e+02, Fmax=1.769e+03 (atom 3508)
Step 6040, Epot=-2.399486e+05, Fnorm=2.735e+02, Fmax=1.549e+03 (atom 1330)
Step 6041, Epot=-2.399488e+05, Fnorm=2.770e+02, Fmax=2.223e+03 (atom 4156)
Step 6042, Epot=-2.399489e+05, Fnorm=2.792e+02, Fmax=2.068e+03 (atom 5350)
Step 6043, Epot=-2.399490e+05, Fnorm=2.827e+02, Fmax=1.843e+03 (atom 2836)
Step 6044, Epot=-2.399492e+05, Fnorm=2.802e+02, Fmax=1.602e+03 (atom 1840)
Step 6045, Epot=-2.399493e+05, Fnorm=2.814e+02, Fmax=1.556e+03 (atom 3910)
Step 6046, Epot=-2.399495e+05, Fnorm=2.803e+02, Fmax=2.067e+03 (atom 5944)
Step 6047, Epot=-2.399497e+05, Fnorm=2.834e+02, Fmax=1.585e+03 (atom 3934)
Step 6048, Epot=-2.399498e+05, Fnorm=2.951e+02, Fmax=1.870e+03 (atom 5218)
Step 6049, Epot=-2.399500e+05, Fnorm=2.868e+02, Fmax=1.719e+03 (atom 5218)
Step 6050, Epot=-2.399502e+05, Fnorm=2.868e+02, Fmax=1.965e+03 (atom 928)
Step 6051, Epot=-2.399504e+05, Fnorm=2.819e+02, Fmax=1.521e+03 (atom 3448)
Step 6052, Epot=-2.399505e+05, Fnorm=2.813e+02, Fmax=1.741e+03 (atom 1192)
Step 6053, Epot=-2.399507e+05, Fnorm=2.848e+02, Fmax=1.725e+03 (atom 3574)
Step 6054, Epot=-2.399508e+05, Fnorm=2.852e+02, Fmax=1.564e+03 (atom 3454)
Step 6055, Epot=-2.399510e+05, Fnorm=2.826e+02, Fmax=1.548e+03 (atom 5602)
Step 6056, Epot=-2.399512e+05, Fnorm=2.874e+02, Fmax=1.960e+03 (atom 3316)
Step 6057, Epot=-2.399514e+05, Fnorm=2.906e+02, Fmax=2.382e+03 (atom 4630)
Step 6058, Epot=-2.399515e+05, Fnorm=2.836e+02, Fmax=1.731e+03 (atom 2854)
Step 6059, Epot=-2.399517e+05, Fnorm=2.779e+02, Fmax=1.960e+03 (atom 1708)
Step 6060, Epot=-2.399518e+05, Fnorm=2.794e+02, Fmax=1.844e+03 (atom 5422)
Step 6061, Epot=-2.399519e+05, Fnorm=2.838e+02, Fmax=1.769e+03 (atom 562)
Step 6062, Epot=-2.399521e+05, Fnorm=2.842e+02, Fmax=2.134e+03 (atom 2836)
Step 6063, Epot=-2.399523e+05, Fnorm=2.848e+02, Fmax=1.496e+03 (atom 4696)
Step 6064, Epot=-2.399525e+05, Fnorm=2.867e+02, Fmax=1.611e+03 (atom 2704)
Step 6065, Epot=-2.399526e+05, Fnorm=2.870e+02, Fmax=1.654e+03 (atom 4156)
Step 6066, Epot=-2.399528e+05, Fnorm=2.806e+02, Fmax=1.746e+03 (atom 370)
Step 6067, Epot=-2.399529e+05, Fnorm=2.783e+02, Fmax=1.558e+03 (atom 3910)
Step 6068, Epot=-2.399531e+05, Fnorm=2.782e+02, Fmax=1.587e+03 (atom 5290)
Step 6069, Epot=-2.399532e+05, Fnorm=2.803e+02, Fmax=1.650e+03 (atom 2836)
Step 6070, Epot=-2.399534e+05, Fnorm=2.925e+02, Fmax=1.650e+03 (atom 2836)
Step 6071, Epot=-2.399536e+05, Fnorm=2.863e+02, Fmax=1.968e+03 (atom 928)
Step 6072, Epot=-2.399537e+05, Fnorm=2.749e+02, Fmax=1.654e+03 (atom 4156)
Step 6073, Epot=-2.399538e+05, Fnorm=2.765e+02, Fmax=1.654e+03 (atom 4156)
Step 6074, Epot=-2.399540e+05, Fnorm=2.832e+02, Fmax=1.705e+03 (atom 1774)
Step 6075, Epot=-2.399541e+05, Fnorm=2.884e+02, Fmax=2.003e+03 (atom 4030)
Step 6076, Epot=-2.399542e+05, Fnorm=2.813e+02, Fmax=1.605e+03 (atom 1354)
Step 6077, Epot=-2.399544e+05, Fnorm=2.883e+02, Fmax=2.014e+03 (atom 2770)
Step 6078, Epot=-2.399545e+05, Fnorm=2.864e+02, Fmax=1.533e+03 (atom 5608)
Step 6079, Epot=-2.399546e+05, Fnorm=2.813e+02, Fmax=1.615e+03 (atom 2704)
Step 6080, Epot=-2.399548e+05, Fnorm=2.866e+02, Fmax=1.792e+03 (atom 1330)
Step 6081, Epot=-2.399549e+05, Fnorm=2.845e+02, Fmax=1.792e+03 (atom 1330)
Step 6082, Epot=-2.399550e+05, Fnorm=2.810e+02, Fmax=1.466e+03 (atom 472)
Step 6083, Epot=-2.399552e+05, Fnorm=2.838e+02, Fmax=2.014e+03 (atom 4030)
Step 6084, Epot=-2.399553e+05, Fnorm=2.833e+02, Fmax=1.635e+03 (atom 916)
Step 6085, Epot=-2.399554e+05, Fnorm=2.762e+02, Fmax=2.451e+03 (atom 2770)
Step 6086, Epot=-2.399556e+05, Fnorm=2.786e+02, Fmax=1.609e+03 (atom 6082)
Step 6087, Epot=-2.399558e+05, Fnorm=2.820e+02, Fmax=1.609e+03 (atom 6082)
Step 6088, Epot=-2.399558e+05, Fnorm=2.894e+02, Fmax=2.065e+03 (atom 5350)
Step 6089, Epot=-2.399561e+05, Fnorm=2.897e+02, Fmax=2.106e+03 (atom 1330)
Step 6090, Epot=-2.399562e+05, Fnorm=2.849e+02, Fmax=1.653e+03 (atom 6010)
Step 6091, Epot=-2.399563e+05, Fnorm=2.942e+02, Fmax=2.210e+03 (atom 4498)
Step 6092, Epot=-2.399565e+05, Fnorm=2.782e+02, Fmax=1.559e+03 (atom 3910)
Step 6093, Epot=-2.399566e+05, Fnorm=2.759e+02, Fmax=1.826e+03 (atom 3808)
Step 6094, Epot=-2.399568e+05, Fnorm=2.777e+02, Fmax=1.716e+03 (atom 5218)
Step 6095, Epot=-2.399569e+05, Fnorm=2.822e+02, Fmax=1.630e+03 (atom 1330)
Step 6096, Epot=-2.399572e+05, Fnorm=2.866e+02, Fmax=1.705e+03 (atom 1774)
Step 6097, Epot=-2.399573e+05, Fnorm=2.863e+02, Fmax=1.746e+03 (atom 370)
Step 6098, Epot=-2.399575e+05, Fnorm=2.854e+02, Fmax=1.969e+03 (atom 3376)
Step 6099, Epot=-2.399576e+05, Fnorm=2.802e+02, Fmax=1.948e+03 (atom 334)
Step 6100, Epot=-2.399578e+05, Fnorm=2.808e+02, Fmax=1.717e+03 (atom 5218)
Step 6101, Epot=-2.399580e+05, Fnorm=2.849e+02, Fmax=1.503e+03 (atom 4690)
Step 6102, Epot=-2.399581e+05, Fnorm=2.857e+02, Fmax=1.673e+03 (atom 4690)
Step 6103, Epot=-2.399582e+05, Fnorm=2.869e+02, Fmax=2.044e+03 (atom 5152)
Step 6104, Epot=-2.399585e+05, Fnorm=2.909e+02, Fmax=1.852e+03 (atom 2836)
Step 6105, Epot=-2.399586e+05, Fnorm=2.882e+02, Fmax=1.763e+03 (atom 3856)
Step 6106, Epot=-2.399588e+05, Fnorm=2.804e+02, Fmax=1.963e+03 (atom 3442)
Step 6107, Epot=-2.399590e+05, Fnorm=2.769e+02, Fmax=1.512e+03 (atom 5434)
Step 6108, Epot=-2.399591e+05, Fnorm=2.765e+02, Fmax=1.730e+03 (atom 4228)
Step 6109, Epot=-2.399593e+05, Fnorm=2.840e+02, Fmax=1.677e+03 (atom 5428)
Step 6110, Epot=-2.399595e+05, Fnorm=2.779e+02, Fmax=1.795e+03 (atom 6238)
Step 6111, Epot=-2.399597e+05, Fnorm=2.821e+02, Fmax=1.561e+03 (atom 4666)
Step 6112, Epot=-2.399598e+05, Fnorm=2.822e+02, Fmax=1.873e+03 (atom 5620)
Step 6113, Epot=-2.399600e+05, Fnorm=2.830e+02, Fmax=1.715e+03 (atom 1258)
Step 6114, Epot=-2.399602e+05, Fnorm=2.830e+02, Fmax=2.108e+03 (atom 1330)
Step 6115, Epot=-2.399603e+05, Fnorm=2.814e+02, Fmax=1.752e+03 (atom 1510)
Step 6116, Epot=-2.399606e+05, Fnorm=2.797e+02, Fmax=1.617e+03 (atom 2596)
Step 6117, Epot=-2.399607e+05, Fnorm=2.896e+02, Fmax=1.765e+03 (atom 1354)
Step 6118, Epot=-2.399608e+05, Fnorm=2.860e+02, Fmax=1.760e+03 (atom 370)
Step 6119, Epot=-2.399611e+05, Fnorm=2.831e+02, Fmax=1.588e+03 (atom 3910)
Step 6120, Epot=-2.399612e+05, Fnorm=2.781e+02, Fmax=2.073e+03 (atom 664)
Step 6121, Epot=-2.399614e+05, Fnorm=2.823e+02, Fmax=2.108e+03 (atom 1330)
Step 6122, Epot=-2.399616e+05, Fnorm=2.750e+02, Fmax=1.606e+03 (atom 4030)
Step 6123, Epot=-2.399617e+05, Fnorm=2.801e+02, Fmax=1.549e+03 (atom 1330)
Step 6124, Epot=-2.399619e+05, Fnorm=2.798e+02, Fmax=1.601e+03 (atom 1354)
Step 6125, Epot=-2.399620e+05, Fnorm=2.826e+02, Fmax=1.764e+03 (atom 3508)
Step 6126, Epot=-2.399622e+05, Fnorm=2.886e+02, Fmax=1.642e+03 (atom 4156)
Step 6127, Epot=-2.399624e+05, Fnorm=2.890e+02, Fmax=1.686e+03 (atom 820)
Step 6128, Epot=-2.399626e+05, Fnorm=2.845e+02, Fmax=1.687e+03 (atom 1330)
Step 6129, Epot=-2.399627e+05, Fnorm=2.766e+02, Fmax=2.012e+03 (atom 3376)
Step 6130, Epot=-2.399629e+05, Fnorm=2.762e+02, Fmax=1.551e+03 (atom 1330)
Step 6131, Epot=-2.399630e+05, Fnorm=2.818e+02, Fmax=1.551e+03 (atom 1330)
Step 6132, Epot=-2.399632e+05, Fnorm=2.915e+02, Fmax=1.655e+03 (atom 6010)
Step 6133, Epot=-2.399634e+05, Fnorm=2.897e+02, Fmax=2.022e+03 (atom 4030)
Step 6134, Epot=-2.399635e+05, Fnorm=2.894e+02, Fmax=2.029e+03 (atom 4030)
Step 6135, Epot=-2.399636e+05, Fnorm=2.820e+02, Fmax=1.734e+03 (atom 5218)
Step 6136, Epot=-2.399638e+05, Fnorm=2.794e+02, Fmax=2.008e+03 (atom 3376)
Step 6137, Epot=-2.399640e+05, Fnorm=2.785e+02, Fmax=1.607e+03 (atom 3310)
Step 6138, Epot=-2.399641e+05, Fnorm=2.845e+02, Fmax=2.106e+03 (atom 2038)
Step 6139, Epot=-2.399642e+05, Fnorm=2.851e+02, Fmax=1.685e+03 (atom 820)
Step 6140, Epot=-2.399644e+05, Fnorm=2.837e+02, Fmax=1.512e+03 (atom 334)
Step 6141, Epot=-2.399646e+05, Fnorm=2.910e+02, Fmax=2.072e+03 (atom 4564)
Step 6142, Epot=-2.399647e+05, Fnorm=2.869e+02, Fmax=1.717e+03 (atom 4156)
Step 6143, Epot=-2.399648e+05, Fnorm=2.764e+02, Fmax=1.717e+03 (atom 4156)
Step 6144, Epot=-2.399650e+05, Fnorm=2.802e+02, Fmax=1.632e+03 (atom 3964)
Step 6145, Epot=-2.399651e+05, Fnorm=2.916e+02, Fmax=2.144e+03 (atom 2836)
Step 6146, Epot=-2.399653e+05, Fnorm=2.894e+02, Fmax=1.596e+03 (atom 6064)
Step 6147, Epot=-2.399655e+05, Fnorm=2.924e+02, Fmax=2.019e+03 (atom 4030)
Step 6148, Epot=-2.399657e+05, Fnorm=2.858e+02, Fmax=1.569e+03 (atom 406)
Step 6149, Epot=-2.399658e+05, Fnorm=2.832e+02, Fmax=1.568e+03 (atom 406)
Step 6150, Epot=-2.399660e+05, Fnorm=2.800e+02, Fmax=1.609e+03 (atom 3310)
Step 6151, Epot=-2.399661e+05, Fnorm=2.759e+02, Fmax=1.679e+03 (atom 1588)
Step 6152, Epot=-2.399663e+05, Fnorm=2.737e+02, Fmax=1.632e+03 (atom 5824)
Step 6153, Epot=-2.399664e+05, Fnorm=2.780e+02, Fmax=1.605e+03 (atom 4030)
Step 6154, Epot=-2.399665e+05, Fnorm=2.827e+02, Fmax=1.882e+03 (atom 3898)
Step 6155, Epot=-2.399667e+05, Fnorm=2.865e+02, Fmax=1.835e+03 (atom 5878)
Step 6156, Epot=-2.399668e+05, Fnorm=2.814e+02, Fmax=1.490e+03 (atom 664)
Step 6157, Epot=-2.399670e+05, Fnorm=2.891e+02, Fmax=1.577e+03 (atom 1642)
Step 6158, Epot=-2.399671e+05, Fnorm=2.834e+02, Fmax=1.995e+03 (atom 466)
Step 6159, Epot=-2.399671e+05, Fnorm=2.825e+02, Fmax=2.046e+03 (atom 994)
Step 6160, Epot=-2.399673e+05, Fnorm=2.853e+02, Fmax=1.468e+03 (atom 784)
Step 6161, Epot=-2.399674e+05, Fnorm=2.845e+02, Fmax=2.023e+03 (atom 4030)
Step 6162, Epot=-2.399675e+05, Fnorm=2.853e+02, Fmax=2.015e+03 (atom 4030)
Step 6163, Epot=-2.399676e+05, Fnorm=2.803e+02, Fmax=1.523e+03 (atom 436)
Step 6164, Epot=-2.399678e+05, Fnorm=2.814e+02, Fmax=1.566e+03 (atom 5674)
Step 6165, Epot=-2.399679e+05, Fnorm=2.839e+02, Fmax=1.725e+03 (atom 1258)
Step 6166, Epot=-2.399680e+05, Fnorm=2.860e+02, Fmax=1.725e+03 (atom 1258)
Step 6167, Epot=-2.399681e+05, Fnorm=2.959e+02, Fmax=1.725e+03 (atom 1258)
Step 6168, Epot=-2.399682e+05, Fnorm=2.863e+02, Fmax=1.680e+03 (atom 5428)
Step 6169, Epot=-2.399683e+05, Fnorm=2.860e+02, Fmax=1.538e+03 (atom 5818)
Step 6170, Epot=-2.399685e+05, Fnorm=2.809e+02, Fmax=2.076e+03 (atom 664)
Step 6171, Epot=-2.399686e+05, Fnorm=2.807e+02, Fmax=1.682e+03 (atom 3442)
Step 6172, Epot=-2.399686e+05, Fnorm=2.862e+02, Fmax=1.858e+03 (atom 3130)
Step 6173, Epot=-2.399687e+05, Fnorm=2.861e+02, Fmax=1.755e+03 (atom 562)
Step 6174, Epot=-2.399689e+05, Fnorm=2.900e+02, Fmax=1.790e+03 (atom 4498)
Step 6175, Epot=-2.399690e+05, Fnorm=2.861e+02, Fmax=1.512e+03 (atom 4696)
Step 6176, Epot=-2.399691e+05, Fnorm=2.888e+02, Fmax=1.595e+03 (atom 5290)
Step 6177, Epot=-2.399692e+05, Fnorm=2.826e+02, Fmax=1.645e+03 (atom 6010)
Step 6178, Epot=-2.399694e+05, Fnorm=2.730e+02, Fmax=1.599e+03 (atom 1504)
Step 6179, Epot=-2.399695e+05, Fnorm=2.811e+02, Fmax=1.714e+03 (atom 4228)
Step 6180, Epot=-2.399696e+05, Fnorm=2.916e+02, Fmax=1.782e+03 (atom 2968)
Step 6181, Epot=-2.399696e+05, Fnorm=2.834e+02, Fmax=1.764e+03 (atom 370)
Step 6182, Epot=-2.399698e+05, Fnorm=2.786e+02, Fmax=1.489e+03 (atom 2764)
Step 6183, Epot=-2.399700e+05, Fnorm=2.764e+02, Fmax=1.492e+03 (atom 1402)
Step 6184, Epot=-2.399700e+05, Fnorm=2.793e+02, Fmax=1.728e+03 (atom 5890)
Step 6185, Epot=-2.399701e+05, Fnorm=2.814e+02, Fmax=1.824e+03 (atom 3376)
Step 6186, Epot=-2.399702e+05, Fnorm=2.899e+02, Fmax=2.071e+03 (atom 4564)
Step 6187, Epot=-2.399704e+05, Fnorm=2.874e+02, Fmax=1.684e+03 (atom 3442)
Step 6188, Epot=-2.399705e+05, Fnorm=2.808e+02, Fmax=1.773e+03 (atom 3676)
Step 6189, Epot=-2.399706e+05, Fnorm=2.890e+02, Fmax=1.500e+03 (atom 2392)
Step 6190, Epot=-2.399707e+05, Fnorm=2.855e+02, Fmax=1.839e+03 (atom 1126)
Step 6191, Epot=-2.399708e+05, Fnorm=2.756e+02, Fmax=1.695e+03 (atom 1774)
Step 6192, Epot=-2.399709e+05, Fnorm=2.762e+02, Fmax=1.695e+03 (atom 1774)
Step 6193, Epot=-2.399710e+05, Fnorm=2.790e+02, Fmax=1.695e+03 (atom 1774)
Step 6194, Epot=-2.399712e+05, Fnorm=2.903e+02, Fmax=1.783e+03 (atom 2968)
Step 6195, Epot=-2.399713e+05, Fnorm=2.889e+02, Fmax=1.850e+03 (atom 3130)
Step 6196, Epot=-2.399714e+05, Fnorm=2.878e+02, Fmax=1.698e+03 (atom 5236)
Step 6197, Epot=-2.399715e+05, Fnorm=2.796e+02, Fmax=1.698e+03 (atom 5236)
Step 6198, Epot=-2.399716e+05, Fnorm=2.830e+02, Fmax=1.582e+03 (atom 6064)
Step 6199, Epot=-2.399717e+05, Fnorm=2.811e+02, Fmax=1.534e+03 (atom 1330)
Step 6200, Epot=-2.399718e+05, Fnorm=2.858e+02, Fmax=1.942e+03 (atom 334)
Step 6201, Epot=-2.399720e+05, Fnorm=2.902e+02, Fmax=1.694e+03 (atom 1774)
Step 6202, Epot=-2.399721e+05, Fnorm=2.826e+02, Fmax=1.694e+03 (atom 1774)
Step 6203, Epot=-2.399722e+05, Fnorm=2.832e+02, Fmax=1.516e+03 (atom 4696)
Step 6204, Epot=-2.399723e+05, Fnorm=2.917e+02, Fmax=1.835e+03 (atom 2038)
Step 6205, Epot=-2.399724e+05, Fnorm=2.897e+02, Fmax=1.784e+03 (atom 2770)
Step 6206, Epot=-2.399726e+05, Fnorm=2.883e+02, Fmax=1.649e+03 (atom 4630)
Step 6207, Epot=-2.399728e+05, Fnorm=2.849e+02, Fmax=1.606e+03 (atom 3310)
Step 6208, Epot=-2.399728e+05, Fnorm=2.796e+02, Fmax=1.442e+03 (atom 3382)
Step 6209, Epot=-2.399730e+05, Fnorm=2.897e+02, Fmax=1.604e+03 (atom 3310)
Step 6210, Epot=-2.399731e+05, Fnorm=2.829e+02, Fmax=1.604e+03 (atom 3310)
Step 6211, Epot=-2.399732e+05, Fnorm=2.834e+02, Fmax=1.924e+03 (atom 1354)
Step 6212, Epot=-2.399733e+05, Fnorm=2.843e+02, Fmax=1.645e+03 (atom 664)
Step 6213, Epot=-2.399735e+05, Fnorm=2.817e+02, Fmax=1.553e+03 (atom 3910)
Step 6214, Epot=-2.399737e+05, Fnorm=2.875e+02, Fmax=1.624e+03 (atom 2596)
Step 6215, Epot=-2.399738e+05, Fnorm=2.847e+02, Fmax=1.812e+03 (atom 3376)
Step 6216, Epot=-2.399739e+05, Fnorm=2.945e+02, Fmax=1.659e+03 (atom 5056)
Step 6217, Epot=-2.399741e+05, Fnorm=2.847e+02, Fmax=1.493e+03 (atom 3502)
Step 6218, Epot=-2.399742e+05, Fnorm=2.768e+02, Fmax=1.616e+03 (atom 5878)
Step 6219, Epot=-2.399743e+05, Fnorm=2.811e+02, Fmax=1.984e+03 (atom 2770)
Step 6220, Epot=-2.399744e+05, Fnorm=2.772e+02, Fmax=1.992e+03 (atom 3442)
Step 6221, Epot=-2.399746e+05, Fnorm=2.844e+02, Fmax=1.551e+03 (atom 3910)
Step 6222, Epot=-2.399747e+05, Fnorm=2.870e+02, Fmax=1.682e+03 (atom 1588)
Step 6223, Epot=-2.399749e+05, Fnorm=2.901e+02, Fmax=1.996e+03 (atom 5350)
Step 6224, Epot=-2.399750e+05, Fnorm=2.861e+02, Fmax=1.996e+03 (atom 5350)
Step 6225, Epot=-2.399752e+05, Fnorm=2.874e+02, Fmax=1.967e+03 (atom 928)
Step 6226, Epot=-2.399753e+05, Fnorm=2.873e+02, Fmax=1.767e+03 (atom 370)
Step 6227, Epot=-2.399754e+05, Fnorm=2.853e+02, Fmax=1.791e+03 (atom 2770)
Step 6228, Epot=-2.399756e+05, Fnorm=2.875e+02, Fmax=1.751e+03 (atom 5944)
Step 6229, Epot=-2.399757e+05, Fnorm=2.900e+02, Fmax=1.685e+03 (atom 664)
Step 6230, Epot=-2.399759e+05, Fnorm=2.859e+02, Fmax=1.653e+03 (atom 562)
Step 6231, Epot=-2.399760e+05, Fnorm=2.831e+02, Fmax=1.755e+03 (atom 1510)
Step 6232, Epot=-2.399762e+05, Fnorm=2.836e+02, Fmax=1.548e+03 (atom 5152)
Step 6233, Epot=-2.399763e+05, Fnorm=2.863e+02, Fmax=1.587e+03 (atom 3910)
Step 6234, Epot=-2.399764e+05, Fnorm=2.823e+02, Fmax=1.953e+03 (atom 1708)
Step 6235, Epot=-2.399532e+05, Fnorm=2.892e+02, Fmax=2.017e+03 (atom 4330)
Step 6236, Epot=-2.399533e+05, Fnorm=2.855e+02, Fmax=1.481e+03 (atom 3958)
Step 6237, Epot=-2.399534e+05, Fnorm=2.894e+02, Fmax=2.144e+03 (atom 3574)
Step 6238, Epot=-2.399771e+05, Fnorm=2.850e+02, Fmax=1.496e+03 (atom 5428)
Step 6239, Epot=-2.399772e+05, Fnorm=2.802e+02, Fmax=1.441e+03 (atom 5236)
Step 6240, Epot=-2.399773e+05, Fnorm=2.825e+02, Fmax=1.564e+03 (atom 2392)
Step 6241, Epot=-2.399775e+05, Fnorm=2.893e+02, Fmax=1.768e+03 (atom 370)
Step 6242, Epot=-2.399542e+05, Fnorm=2.892e+02, Fmax=1.799e+03 (atom 2770)
Step 6243, Epot=-2.399544e+05, Fnorm=2.903e+02, Fmax=1.799e+03 (atom 2770)
Step 6244, Epot=-2.399545e+05, Fnorm=2.804e+02, Fmax=2.145e+03 (atom 3574)
Step 6245, Epot=-2.399547e+05, Fnorm=2.756e+02, Fmax=1.515e+03 (atom 3724)
Step 6246, Epot=-2.399548e+05, Fnorm=2.803e+02, Fmax=1.966e+03 (atom 4630)
Step 6247, Epot=-2.399784e+05, Fnorm=2.832e+02, Fmax=1.555e+03 (atom 5350)
Step 6248, Epot=-2.399785e+05, Fnorm=2.820e+02, Fmax=1.585e+03 (atom 3910)
Step 6249, Epot=-2.399787e+05, Fnorm=2.888e+02, Fmax=1.938e+03 (atom 3376)
Step 6250, Epot=-2.399789e+05, Fnorm=2.914e+02, Fmax=1.823e+03 (atom 922)
Step 6251, Epot=-2.399790e+05, Fnorm=2.861e+02, Fmax=1.822e+03 (atom 922)
Step 6252, Epot=-2.399792e+05, Fnorm=2.911e+02, Fmax=1.596e+03 (atom 2848)
Step 6253, Epot=-2.399794e+05, Fnorm=2.908e+02, Fmax=1.559e+03 (atom 1858)
Step 6254, Epot=-2.399795e+05, Fnorm=2.895e+02, Fmax=1.681e+03 (atom 3856)
Step 6255, Epot=-2.399798e+05, Fnorm=2.861e+02, Fmax=1.451e+03 (atom 5350)
Step 6256, Epot=-2.399799e+05, Fnorm=2.831e+02, Fmax=1.615e+03 (atom 2668)
Step 6257, Epot=-2.399801e+05, Fnorm=2.806e+02, Fmax=1.658e+03 (atom 2704)
Step 6258, Epot=-2.399802e+05, Fnorm=2.889e+02, Fmax=1.838e+03 (atom 5422)
Step 6259, Epot=-2.399804e+05, Fnorm=2.840e+02, Fmax=1.510e+03 (atom 1576)
Step 6260, Epot=-2.399806e+05, Fnorm=2.835e+02, Fmax=1.561e+03 (atom 1858)
Step 6261, Epot=-2.399808e+05, Fnorm=2.900e+02, Fmax=1.566e+03 (atom 5194)
Step 6262, Epot=-2.399809e+05, Fnorm=2.817e+02, Fmax=1.683e+03 (atom 916)
Step 6263, Epot=-2.399811e+05, Fnorm=2.877e+02, Fmax=2.012e+03 (atom 5350)
Step 6264, Epot=-2.399812e+05, Fnorm=2.822e+02, Fmax=1.684e+03 (atom 1840)
Step 6265, Epot=-2.399814e+05, Fnorm=2.781e+02, Fmax=1.518e+03 (atom 4936)
Step 6266, Epot=-2.399816e+05, Fnorm=2.774e+02, Fmax=1.584e+03 (atom 952)
Step 6267, Epot=-2.399817e+05, Fnorm=2.796e+02, Fmax=1.697e+03 (atom 1774)
Step 6268, Epot=-2.399819e+05, Fnorm=2.924e+02, Fmax=1.553e+03 (atom 4666)
Step 6269, Epot=-2.399820e+05, Fnorm=2.816e+02, Fmax=1.458e+03 (atom 2800)
Step 6270, Epot=-2.399822e+05, Fnorm=2.798e+02, Fmax=1.528e+03 (atom 2044)
Step 6271, Epot=-2.399824e+05, Fnorm=2.799e+02, Fmax=1.441e+03 (atom 388)
Step 6272, Epot=-2.399825e+05, Fnorm=2.724e+02, Fmax=1.684e+03 (atom 1588)
Step 6273, Epot=-2.399826e+05, Fnorm=2.701e+02, Fmax=1.636e+03 (atom 3304)
Step 6274, Epot=-2.399828e+05, Fnorm=2.805e+02, Fmax=1.635e+03 (atom 4156)
Step 6275, Epot=-2.399829e+05, Fnorm=2.890e+02, Fmax=2.043e+03 (atom 994)
Step 6276, Epot=-2.399830e+05, Fnorm=2.870e+02, Fmax=2.043e+03 (atom 994)
Step 6277, Epot=-2.399832e+05, Fnorm=2.866e+02, Fmax=1.675e+03 (atom 5080)
Step 6278, Epot=-2.399833e+05, Fnorm=2.850e+02, Fmax=1.585e+03 (atom 3910)
Step 6279, Epot=-2.399834e+05, Fnorm=2.832e+02, Fmax=1.620e+03 (atom 598)
Step 6280, Epot=-2.399836e+05, Fnorm=2.848e+02, Fmax=2.038e+03 (atom 4030)
Step 6281, Epot=-2.399837e+05, Fnorm=2.887e+02, Fmax=1.631e+03 (atom 4972)
Step 6282, Epot=-2.399839e+05, Fnorm=2.878e+02, Fmax=2.100e+03 (atom 1330)
Step 6283, Epot=-2.399841e+05, Fnorm=2.804e+02, Fmax=1.906e+03 (atom 2836)
Step 6284, Epot=-2.399842e+05, Fnorm=2.859e+02, Fmax=1.741e+03 (atom 5218)
Step 6285, Epot=-2.399844e+05, Fnorm=2.773e+02, Fmax=1.614e+03 (atom 3310)
Step 6286, Epot=-2.399846e+05, Fnorm=2.912e+02, Fmax=1.870e+03 (atom 3898)
Step 6287, Epot=-2.399847e+05, Fnorm=2.810e+02, Fmax=1.723e+03 (atom 3310)
Step 6288, Epot=-2.399849e+05, Fnorm=2.823e+02, Fmax=1.737e+03 (atom 1336)
Step 6289, Epot=-2.399850e+05, Fnorm=2.812e+02, Fmax=1.886e+03 (atom 1516)
Step 6290, Epot=-2.399852e+05, Fnorm=2.826e+02, Fmax=1.578e+03 (atom 5608)
Step 6291, Epot=-2.399853e+05, Fnorm=2.842e+02, Fmax=1.611e+03 (atom 2668)
Step 6292, Epot=-2.399855e+05, Fnorm=2.881e+02, Fmax=1.771e+03 (atom 562)
Step 6293, Epot=-2.399856e+05, Fnorm=2.829e+02, Fmax=2.148e+03 (atom 3574)
Step 6294, Epot=-2.399858e+05, Fnorm=2.869e+02, Fmax=2.050e+03 (atom 4330)
Step 6295, Epot=-2.399859e+05, Fnorm=2.831e+02, Fmax=2.050e+03 (atom 4330)
Step 6296, Epot=-2.399860e+05, Fnorm=2.861e+02, Fmax=2.218e+03 (atom 4498)
Step 6297, Epot=-2.399862e+05, Fnorm=2.843e+02, Fmax=1.641e+03 (atom 4972)
Step 6298, Epot=-2.399864e+05, Fnorm=2.917e+02, Fmax=1.818e+03 (atom 2770)
Step 6299, Epot=-2.399865e+05, Fnorm=2.877e+02, Fmax=1.601e+03 (atom 3520)
Step 6300, Epot=-2.399867e+05, Fnorm=2.832e+02, Fmax=1.739e+03 (atom 3574)
Step 6301, Epot=-2.399868e+05, Fnorm=2.867e+02, Fmax=1.510e+03 (atom 1618)
Step 6302, Epot=-2.399870e+05, Fnorm=2.771e+02, Fmax=1.299e+03 (atom 6076)
Step 6303, Epot=-2.399872e+05, Fnorm=2.754e+02, Fmax=1.419e+03 (atom 1570)
Step 6304, Epot=-2.399873e+05, Fnorm=2.804e+02, Fmax=1.460e+03 (atom 4030)
Step 6305, Epot=-2.399875e+05, Fnorm=2.852e+02, Fmax=1.449e+03 (atom 1582)
Step 6306, Epot=-2.399877e+05, Fnorm=2.782e+02, Fmax=1.459e+03 (atom 3826)
Step 6307, Epot=-2.399878e+05, Fnorm=2.794e+02, Fmax=1.491e+03 (atom 3826)
Step 6308, Epot=-2.399880e+05, Fnorm=2.853e+02, Fmax=1.790e+03 (atom 1510)
Step 6309, Epot=-2.399882e+05, Fnorm=2.851e+02, Fmax=1.627e+03 (atom 5272)
Step 6310, Epot=-2.399883e+05, Fnorm=2.846e+02, Fmax=1.652e+03 (atom 916)
Step 6311, Epot=-2.399885e+05, Fnorm=2.924e+02, Fmax=2.037e+03 (atom 4030)
Step 6312, Epot=-2.399887e+05, Fnorm=2.838e+02, Fmax=1.754e+03 (atom 3376)
Step 6313, Epot=-2.399888e+05, Fnorm=2.811e+02, Fmax=1.831e+03 (atom 2968)
Step 6314, Epot=-2.399890e+05, Fnorm=2.784e+02, Fmax=1.485e+03 (atom 3304)
Step 6315, Epot=-2.399892e+05, Fnorm=2.868e+02, Fmax=1.604e+03 (atom 3310)
Step 6316, Epot=-2.399893e+05, Fnorm=2.885e+02, Fmax=1.703e+03 (atom 2038)
Step 6317, Epot=-2.399895e+05, Fnorm=2.891e+02, Fmax=1.780e+03 (atom 3508)
Step 6318, Epot=-2.399896e+05, Fnorm=2.843e+02, Fmax=1.765e+03 (atom 3088)
Step 6319, Epot=-2.399898e+05, Fnorm=2.854e+02, Fmax=1.960e+03 (atom 826)
Step 6320, Epot=-2.399900e+05, Fnorm=2.872e+02, Fmax=1.960e+03 (atom 826)
Step 6321, Epot=-2.399902e+05, Fnorm=2.836e+02, Fmax=1.824e+03 (atom 5878)
Step 6322, Epot=-2.399904e+05, Fnorm=2.908e+02, Fmax=2.150e+03 (atom 3574)
Step 6323, Epot=-2.399906e+05, Fnorm=2.921e+02, Fmax=1.792e+03 (atom 4498)
Step 6324, Epot=-2.399908e+05, Fnorm=2.879e+02, Fmax=1.602e+03 (atom 3310)
Step 6325, Epot=-2.399910e+05, Fnorm=2.813e+02, Fmax=1.791e+03 (atom 4498)
Step 6326, Epot=-2.399912e+05, Fnorm=2.840e+02, Fmax=1.610e+03 (atom 3310)
Step 6327, Epot=-2.399914e+05, Fnorm=2.857e+02, Fmax=1.664e+03 (atom 5428)
Step 6328, Epot=-2.399917e+05, Fnorm=2.862e+02, Fmax=1.610e+03 (atom 3310)
Step 6329, Epot=-2.399918e+05, Fnorm=2.871e+02, Fmax=1.811e+03 (atom 4912)
Step 6330, Epot=-2.399920e+05, Fnorm=2.808e+02, Fmax=1.824e+03 (atom 922)
Step 6331, Epot=-2.399923e+05, Fnorm=2.878e+02, Fmax=1.824e+03 (atom 922)
Step 6332, Epot=-2.399925e+05, Fnorm=2.874e+02, Fmax=1.580e+03 (atom 5704)
Step 6333, Epot=-2.399928e+05, Fnorm=2.824e+02, Fmax=1.755e+03 (atom 5536)
Step 6334, Epot=-2.399930e+05, Fnorm=2.873e+02, Fmax=2.068e+03 (atom 4330)
Step 6335, Epot=-2.399932e+05, Fnorm=2.899e+02, Fmax=1.653e+03 (atom 4156)
Step 6336, Epot=-2.399935e+05, Fnorm=2.843e+02, Fmax=1.734e+03 (atom 3376)
Step 6337, Epot=-2.399937e+05, Fnorm=2.784e+02, Fmax=1.824e+03 (atom 5878)
Step 6338, Epot=-2.399940e+05, Fnorm=2.847e+02, Fmax=1.763e+03 (atom 1354)
Step 6339, Epot=-2.399942e+05, Fnorm=2.804e+02, Fmax=1.803e+03 (atom 3676)
Step 6340, Epot=-2.399944e+05, Fnorm=2.859e+02, Fmax=2.069e+03 (atom 4330)
Step 6341, Epot=-2.399946e+05, Fnorm=2.825e+02, Fmax=1.738e+03 (atom 4156)
Step 6342, Epot=-2.399949e+05, Fnorm=2.928e+02, Fmax=1.839e+03 (atom 5014)
Step 6343, Epot=-2.399951e+05, Fnorm=2.847e+02, Fmax=2.061e+03 (atom 5350)
Step 6344, Epot=-2.399953e+05, Fnorm=2.815e+02, Fmax=1.751e+03 (atom 370)
Step 6345, Epot=-2.399955e+05, Fnorm=2.814e+02, Fmax=1.590e+03 (atom 2038)
Step 6346, Epot=-2.399958e+05, Fnorm=2.834e+02, Fmax=1.540e+03 (atom 1780)
Step 6347, Epot=-2.399959e+05, Fnorm=2.869e+02, Fmax=1.888e+03 (atom 2836)
Step 6348, Epot=-2.399961e+05, Fnorm=2.874e+02, Fmax=1.542e+03 (atom 1330)
Step 6349, Epot=-2.399965e+05, Fnorm=2.902e+02, Fmax=1.795e+03 (atom 4498)
Step 6350, Epot=-2.399967e+05, Fnorm=2.874e+02, Fmax=1.640e+03 (atom 3304)
Step 6351, Epot=-2.399968e+05, Fnorm=2.837e+02, Fmax=1.520e+03 (atom 3448)
Step 6352, Epot=-2.399971e+05, Fnorm=2.836e+02, Fmax=1.653e+03 (atom 3442)
Step 6353, Epot=-2.399973e+05, Fnorm=2.881e+02, Fmax=2.247e+03 (atom 3310)
Step 6354, Epot=-2.399976e+05, Fnorm=2.849e+02, Fmax=2.247e+03 (atom 3310)
Step 6355, Epot=-2.399978e+05, Fnorm=2.803e+02, Fmax=1.734e+03 (atom 4156)
Step 6356, Epot=-2.399980e+05, Fnorm=2.844e+02, Fmax=1.617e+03 (atom 3310)
Step 6357, Epot=-2.399982e+05, Fnorm=2.838e+02, Fmax=1.695e+03 (atom 1588)
Step 6358, Epot=-2.399985e+05, Fnorm=2.832e+02, Fmax=2.046e+03 (atom 5350)
Step 6359, Epot=-2.399987e+05, Fnorm=2.804e+02, Fmax=1.744e+03 (atom 1336)
Step 6360, Epot=-2.399989e+05, Fnorm=2.813e+02, Fmax=1.703e+03 (atom 664)
Step 6361, Epot=-2.399991e+05, Fnorm=2.846e+02, Fmax=1.632e+03 (atom 4498)
Step 6362, Epot=-2.399993e+05, Fnorm=2.830e+02, Fmax=1.610e+03 (atom 3910)
Step 6363, Epot=-2.399996e+05, Fnorm=2.867e+02, Fmax=2.155e+03 (atom 3574)
Step 6364, Epot=-2.399998e+05, Fnorm=2.861e+02, Fmax=2.155e+03 (atom 3574)
Step 6365, Epot=-2.400001e+05, Fnorm=2.810e+02, Fmax=1.594e+03 (atom 6064)
Step 6366, Epot=-2.400003e+05, Fnorm=2.877e+02, Fmax=1.752e+03 (atom 370)
Step 6367, Epot=-2.400006e+05, Fnorm=2.853e+02, Fmax=2.096e+03 (atom 2038)
Step 6368, Epot=-2.400008e+05, Fnorm=2.841e+02, Fmax=2.095e+03 (atom 2038)
Step 6369, Epot=-2.400010e+05, Fnorm=2.868e+02, Fmax=1.749e+03 (atom 5218)
Step 6370, Epot=-2.400012e+05, Fnorm=2.822e+02, Fmax=1.568e+03 (atom 598)
Step 6371, Epot=-2.400016e+05, Fnorm=2.811e+02, Fmax=1.474e+03 (atom 3826)
Step 6372, Epot=-2.400018e+05, Fnorm=2.798e+02, Fmax=1.632e+03 (atom 2704)
Step 6373, Epot=-2.400020e+05, Fnorm=2.808e+02, Fmax=1.812e+03 (atom 2770)
Step 6374, Epot=-2.400022e+05, Fnorm=2.841e+02, Fmax=1.627e+03 (atom 826)
Step 6375, Epot=-2.400024e+05, Fnorm=2.828e+02, Fmax=1.825e+03 (atom 5878)
Step 6376, Epot=-2.400026e+05, Fnorm=2.792e+02, Fmax=1.770e+03 (atom 1354)
Step 6377, Epot=-2.400028e+05, Fnorm=2.866e+02, Fmax=2.370e+03 (atom 3442)
Step 6378, Epot=-2.400030e+05, Fnorm=2.901e+02, Fmax=1.655e+03 (atom 6124)
Step 6379, Epot=-2.400032e+05, Fnorm=2.864e+02, Fmax=1.655e+03 (atom 6124)
Step 6380, Epot=-2.400034e+05, Fnorm=2.860e+02, Fmax=1.596e+03 (atom 5350)
Step 6381, Epot=-2.400037e+05, Fnorm=2.835e+02, Fmax=1.584e+03 (atom 2038)
Step 6382, Epot=-2.400038e+05, Fnorm=2.841e+02, Fmax=1.617e+03 (atom 2596)
Step 6383, Epot=-2.400041e+05, Fnorm=2.838e+02, Fmax=1.509e+03 (atom 2380)
Step 6384, Epot=-2.400042e+05, Fnorm=2.841e+02, Fmax=1.685e+03 (atom 916)
Step 6385, Epot=-2.400044e+05, Fnorm=2.872e+02, Fmax=1.873e+03 (atom 3520)
Step 6386, Epot=-2.400046e+05, Fnorm=2.814e+02, Fmax=1.611e+03 (atom 3310)
Step 6387, Epot=-2.400049e+05, Fnorm=2.798e+02, Fmax=1.533e+03 (atom 3910)
Step 6388, Epot=-2.400051e+05, Fnorm=2.771e+02, Fmax=1.621e+03 (atom 4030)
Step 6389, Epot=-2.400052e+05, Fnorm=2.776e+02, Fmax=1.676e+03 (atom 1774)
Step 6390, Epot=-2.400055e+05, Fnorm=2.813e+02, Fmax=1.877e+03 (atom 3376)
Step 6391, Epot=-2.400056e+05, Fnorm=2.839e+02, Fmax=1.538e+03 (atom 5818)
Step 6392, Epot=-2.400058e+05, Fnorm=2.837e+02, Fmax=1.690e+03 (atom 4630)
Step 6393, Epot=-2.400061e+05, Fnorm=2.810e+02, Fmax=1.594e+03 (atom 1180)
Step 6394, Epot=-2.400062e+05, Fnorm=2.821e+02, Fmax=1.485e+03 (atom 982)
Step 6395, Epot=-2.400064e+05, Fnorm=2.800e+02, Fmax=1.522e+03 (atom 1258)
Step 6396, Epot=-2.400066e+05, Fnorm=2.805e+02, Fmax=1.745e+03 (atom 1258)
Step 6397, Epot=-2.400068e+05, Fnorm=2.827e+02, Fmax=2.094e+03 (atom 2038)
Step 6398, Epot=-2.400070e+05, Fnorm=2.882e+02, Fmax=2.080e+03 (atom 664)
Step 6399, Epot=-2.400071e+05, Fnorm=2.900e+02, Fmax=1.688e+03 (atom 4630)
Step 6400, Epot=-2.400073e+05, Fnorm=2.883e+02, Fmax=1.670e+03 (atom 5056)
Step 6401, Epot=-2.400075e+05, Fnorm=2.846e+02, Fmax=1.635e+03 (atom 2704)
Step 6402, Epot=-2.400077e+05, Fnorm=2.860e+02, Fmax=2.148e+03 (atom 3574)
Step 6403, Epot=-2.400078e+05, Fnorm=2.881e+02, Fmax=1.825e+03 (atom 1510)
Step 6404, Epot=-2.400080e+05, Fnorm=2.801e+02, Fmax=1.543e+03 (atom 562)
Step 6405, Epot=-2.400082e+05, Fnorm=2.819e+02, Fmax=1.583e+03 (atom 6064)
Step 6406, Epot=-2.400085e+05, Fnorm=2.831e+02, Fmax=1.829e+03 (atom 922)
Step 6407, Epot=-2.400087e+05, Fnorm=2.783e+02, Fmax=1.581e+03 (atom 1180)
Step 6408, Epot=-2.400088e+05, Fnorm=2.809e+02, Fmax=1.731e+03 (atom 4156)
Step 6409, Epot=-2.400091e+05, Fnorm=2.823e+02, Fmax=1.564e+03 (atom 2908)
Step 6410, Epot=-2.400092e+05, Fnorm=2.797e+02, Fmax=1.780e+03 (atom 3508)
Step 6411, Epot=-2.400094e+05, Fnorm=2.806e+02, Fmax=1.607e+03 (atom 3310)
Step 6412, Epot=-2.400096e+05, Fnorm=2.802e+02, Fmax=1.898e+03 (atom 3376)
Step 6413, Epot=-2.400097e+05, Fnorm=2.854e+02, Fmax=1.898e+03 (atom 3376)
Step 6414, Epot=-2.400099e+05, Fnorm=2.849e+02, Fmax=1.756e+03 (atom 5218)
Step 6415, Epot=-2.400101e+05, Fnorm=2.856e+02, Fmax=1.654e+03 (atom 562)
Step 6416, Epot=-2.400102e+05, Fnorm=2.830e+02, Fmax=1.654e+03 (atom 562)
Step 6417, Epot=-2.400104e+05, Fnorm=2.873e+02, Fmax=1.674e+03 (atom 1774)
Step 6418, Epot=-2.400106e+05, Fnorm=2.855e+02, Fmax=1.639e+03 (atom 5824)
Step 6419, Epot=-2.400108e+05, Fnorm=2.791e+02, Fmax=1.863e+03 (atom 562)
Step 6420, Epot=-2.400110e+05, Fnorm=2.804e+02, Fmax=1.893e+03 (atom 5218)
Step 6421, Epot=-2.400111e+05, Fnorm=2.863e+02, Fmax=2.113e+03 (atom 2326)
Step 6422, Epot=-2.400114e+05, Fnorm=2.828e+02, Fmax=1.564e+03 (atom 2392)
Step 6423, Epot=-2.400116e+05, Fnorm=2.888e+02, Fmax=1.957e+03 (atom 862)
Step 6424, Epot=-2.400117e+05, Fnorm=2.837e+02, Fmax=1.779e+03 (atom 3508)
Step 6425, Epot=-2.400119e+05, Fnorm=2.820e+02, Fmax=2.362e+03 (atom 3442)
Step 6426, Epot=-2.400121e+05, Fnorm=2.876e+02, Fmax=1.633e+03 (atom 370)
Step 6427, Epot=-2.400123e+05, Fnorm=2.914e+02, Fmax=1.772e+03 (atom 1354)
Step 6428, Epot=-2.400124e+05, Fnorm=2.914e+02, Fmax=2.113e+03 (atom 2326)
Step 6429, Epot=-2.400127e+05, Fnorm=2.848e+02, Fmax=1.828e+03 (atom 3376)
Step 6430, Epot=-2.400128e+05, Fnorm=2.798e+02, Fmax=1.685e+03 (atom 3856)
Step 6431, Epot=-2.400131e+05, Fnorm=2.854e+02, Fmax=1.644e+03 (atom 5296)
Step 6432, Epot=-2.400132e+05, Fnorm=2.868e+02, Fmax=1.614e+03 (atom 4030)
Step 6433, Epot=-2.400134e+05, Fnorm=2.858e+02, Fmax=1.615e+03 (atom 4030)
Step 6434, Epot=-2.400136e+05, Fnorm=2.802e+02, Fmax=1.599e+03 (atom 4996)
Step 6435, Epot=-2.400138e+05, Fnorm=2.862e+02, Fmax=1.635e+03 (atom 2704)
Step 6436, Epot=-2.400140e+05, Fnorm=2.803e+02, Fmax=1.536e+03 (atom 1780)
Step 6437, Epot=-2.400142e+05, Fnorm=2.847e+02, Fmax=1.486e+03 (atom 982)
Step 6438, Epot=-2.400144e+05, Fnorm=2.773e+02, Fmax=1.575e+03 (atom 5290)
Step 6439, Epot=-2.400146e+05, Fnorm=2.866e+02, Fmax=2.005e+03 (atom 5350)
Step 6440, Epot=-2.400148e+05, Fnorm=2.879e+02, Fmax=1.606e+03 (atom 3310)
Step 6441, Epot=-2.400150e+05, Fnorm=2.813e+02, Fmax=1.671e+03 (atom 1774)
Step 6442, Epot=-2.400153e+05, Fnorm=2.765e+02, Fmax=1.618e+03 (atom 4030)
Step 6443, Epot=-2.400154e+05, Fnorm=2.804e+02, Fmax=2.031e+03 (atom 2194)
Step 6444, Epot=-2.400156e+05, Fnorm=2.808e+02, Fmax=1.501e+03 (atom 1618)
Step 6445, Epot=-2.400158e+05, Fnorm=2.819e+02, Fmax=1.725e+03 (atom 4156)
Step 6446, Epot=-2.400159e+05, Fnorm=2.814e+02, Fmax=1.681e+03 (atom 1516)
Step 6447, Epot=-2.400161e+05, Fnorm=2.798e+02, Fmax=1.443e+03 (atom 5146)
Step 6448, Epot=-2.400162e+05, Fnorm=2.772e+02, Fmax=1.987e+03 (atom 466)
Step 6449, Epot=-2.400164e+05, Fnorm=2.782e+02, Fmax=1.522e+03 (atom 3448)
Step 6450, Epot=-2.400165e+05, Fnorm=2.841e+02, Fmax=2.449e+03 (atom 2770)
Step 6451, Epot=-2.400166e+05, Fnorm=2.840e+02, Fmax=1.744e+03 (atom 5218)
Step 6452, Epot=-2.400168e+05, Fnorm=2.784e+02, Fmax=1.743e+03 (atom 5218)
Step 6453, Epot=-2.400169e+05, Fnorm=2.774e+02, Fmax=1.946e+03 (atom 1354)
Step 6454, Epot=-2.400170e+05, Fnorm=2.819e+02, Fmax=1.673e+03 (atom 916)
Step 6455, Epot=-2.400172e+05, Fnorm=2.825e+02, Fmax=1.523e+03 (atom 952)
Step 6456, Epot=-2.400173e+05, Fnorm=2.877e+02, Fmax=1.521e+03 (atom 6172)
Step 6457, Epot=-2.400175e+05, Fnorm=2.853e+02, Fmax=1.432e+03 (atom 2908)
Step 6458, Epot=-2.400176e+05, Fnorm=2.913e+02, Fmax=1.631e+03 (atom 2704)
Step 6459, Epot=-2.400177e+05, Fnorm=2.919e+02, Fmax=1.927e+03 (atom 5812)
Step 6460, Epot=-2.400179e+05, Fnorm=2.817e+02, Fmax=1.586e+03 (atom 3910)
Step 6461, Epot=-2.400181e+05, Fnorm=2.792e+02, Fmax=1.590e+03 (atom 1180)
Step 6462, Epot=-2.400182e+05, Fnorm=2.770e+02, Fmax=1.511e+03 (atom 334)
Step 6463, Epot=-2.400183e+05, Fnorm=2.793e+02, Fmax=1.515e+03 (atom 4174)
Step 6464, Epot=-2.400185e+05, Fnorm=2.827e+02, Fmax=1.959e+03 (atom 3316)
Step 6465, Epot=-2.400186e+05, Fnorm=2.779e+02, Fmax=1.671e+03 (atom 1774)
Step 6466, Epot=-2.400187e+05, Fnorm=2.776e+02, Fmax=1.669e+03 (atom 1840)
Step 6467, Epot=-2.400188e+05, Fnorm=2.785e+02, Fmax=1.483e+03 (atom 4684)
Step 6468, Epot=-2.400189e+05, Fnorm=2.827e+02, Fmax=1.620e+03 (atom 2596)
Step 6469, Epot=-2.400190e+05, Fnorm=2.811e+02, Fmax=1.641e+03 (atom 6010)
Step 6470, Epot=-2.400191e+05, Fnorm=2.770e+02, Fmax=1.495e+03 (atom 664)
Step 6471, Epot=-2.400193e+05, Fnorm=2.828e+02, Fmax=1.794e+03 (atom 4498)
Step 6472, Epot=-2.400193e+05, Fnorm=2.830e+02, Fmax=1.794e+03 (atom 4498)
Step 6473, Epot=-2.400194e+05, Fnorm=2.747e+02, Fmax=1.641e+03 (atom 3442)
Step 6474, Epot=-2.400195e+05, Fnorm=2.836e+02, Fmax=1.735e+03 (atom 5218)
Step 6475, Epot=-2.400196e+05, Fnorm=2.859e+02, Fmax=2.074e+03 (atom 664)
Step 6476, Epot=-2.400198e+05, Fnorm=2.835e+02, Fmax=1.610e+03 (atom 3154)
Step 6477, Epot=-2.400199e+05, Fnorm=2.811e+02, Fmax=1.464e+03 (atom 784)
Step 6478, Epot=-2.400199e+05, Fnorm=2.807e+02, Fmax=2.097e+03 (atom 2038)
Step 6479, Epot=-2.400200e+05, Fnorm=2.806e+02, Fmax=1.777e+03 (atom 3508)
Step 6480, Epot=-2.400201e+05, Fnorm=2.780e+02, Fmax=1.326e+03 (atom 2596)
Step 6481, Epot=-2.400202e+05, Fnorm=2.854e+02, Fmax=1.953e+03 (atom 862)
Step 6482, Epot=-2.400203e+05, Fnorm=2.944e+02, Fmax=1.619e+03 (atom 4984)
Step 6483, Epot=-2.400205e+05, Fnorm=2.858e+02, Fmax=1.774e+03 (atom 3676)
Step 6484, Epot=-2.400206e+05, Fnorm=2.820e+02, Fmax=1.794e+03 (atom 592)
Step 6485, Epot=-2.400206e+05, Fnorm=2.788e+02, Fmax=1.794e+03 (atom 592)
Step 6486, Epot=-2.400207e+05, Fnorm=2.825e+02, Fmax=1.630e+03 (atom 4498)
Step 6487, Epot=-2.400208e+05, Fnorm=2.890e+02, Fmax=1.610e+03 (atom 4030)
Step 6488, Epot=-2.400209e+05, Fnorm=2.856e+02, Fmax=1.879e+03 (atom 3376)
Step 6489, Epot=-2.400210e+05, Fnorm=2.825e+02, Fmax=1.852e+03 (atom 3130)
Step 6490, Epot=-2.400211e+05, Fnorm=2.819e+02, Fmax=1.838e+03 (atom 3898)
Step 6491, Epot=-2.400212e+05, Fnorm=2.826e+02, Fmax=1.667e+03 (atom 1588)
Step 6492, Epot=-2.400213e+05, Fnorm=2.795e+02, Fmax=1.673e+03 (atom 1774)
Step 6493, Epot=-2.400213e+05, Fnorm=2.828e+02, Fmax=1.817e+03 (atom 5878)
Step 6494, Epot=-2.400214e+05, Fnorm=2.839e+02, Fmax=1.659e+03 (atom 4630)
Step 6495, Epot=-2.400215e+05, Fnorm=2.845e+02, Fmax=2.095e+03 (atom 4564)
Step 6496, Epot=-2.400216e+05, Fnorm=2.885e+02, Fmax=1.655e+03 (atom 562)
Step 6497, Epot=-2.400216e+05, Fnorm=2.787e+02, Fmax=1.674e+03 (atom 1774)
Step 6498, Epot=-2.400217e+05, Fnorm=2.843e+02, Fmax=1.867e+03 (atom 1510)
Step 6499, Epot=-2.400218e+05, Fnorm=2.859e+02, Fmax=1.537e+03 (atom 2770)
Step 6500, Epot=-2.400218e+05, Fnorm=2.872e+02, Fmax=1.730e+03 (atom 3574)
Step 6501, Epot=-2.400219e+05, Fnorm=2.798e+02, Fmax=1.526e+03 (atom 1780)
Step 6502, Epot=-2.400220e+05, Fnorm=2.819e+02, Fmax=1.758e+03 (atom 562)
Step 6503, Epot=-2.400221e+05, Fnorm=2.837e+02, Fmax=1.776e+03 (atom 3508)
Step 6504, Epot=-2.400222e+05, Fnorm=2.900e+02, Fmax=1.667e+03 (atom 1588)
Step 6505, Epot=-2.400222e+05, Fnorm=2.918e+02, Fmax=1.793e+03 (atom 4498)
Step 6506, Epot=-2.400223e+05, Fnorm=2.933e+02, Fmax=1.793e+03 (atom 4498)
Step 6507, Epot=-2.400224e+05, Fnorm=2.856e+02, Fmax=1.727e+03 (atom 5218)
Step 6508, Epot=-2.400224e+05, Fnorm=2.845e+02, Fmax=1.488e+03 (atom 5422)
Step 6509, Epot=-2.400226e+05, Fnorm=2.910e+02, Fmax=1.729e+03 (atom 3574)
Step 6510, Epot=-2.400226e+05, Fnorm=2.907e+02, Fmax=1.670e+03 (atom 5056)
Step 6511, Epot=-2.400227e+05, Fnorm=2.895e+02, Fmax=1.679e+03 (atom 1840)
Step 6512, Epot=-2.400228e+05, Fnorm=2.853e+02, Fmax=1.954e+03 (atom 862)
Step 6513, Epot=-2.400229e+05, Fnorm=2.844e+02, Fmax=1.512e+03 (atom 3910)
Step 6514, Epot=-2.400230e+05, Fnorm=2.884e+02, Fmax=2.140e+03 (atom 3574)
Step 6515, Epot=-2.400231e+05, Fnorm=2.881e+02, Fmax=2.139e+03 (atom 3574)
Step 6516, Epot=-2.400231e+05, Fnorm=2.835e+02, Fmax=2.001e+03 (atom 3376)
Step 6517, Epot=-2.400232e+05, Fnorm=2.804e+02, Fmax=2.002e+03 (atom 3376)
Step 6518, Epot=-2.400233e+05, Fnorm=2.911e+02, Fmax=1.680e+03 (atom 1840)
Step 6519, Epot=-2.400234e+05, Fnorm=2.828e+02, Fmax=1.490e+03 (atom 3304)
Step 6520, Epot=-2.400235e+05, Fnorm=2.827e+02, Fmax=1.749e+03 (atom 1336)
Step 6521, Epot=-2.400235e+05, Fnorm=2.855e+02, Fmax=2.032e+03 (atom 2194)
Step 6522, Epot=-2.400236e+05, Fnorm=2.828e+02, Fmax=1.630e+03 (atom 4498)
Step 6523, Epot=-2.400237e+05, Fnorm=2.828e+02, Fmax=1.430e+03 (atom 466)
Step 6524, Epot=-2.400237e+05, Fnorm=2.902e+02, Fmax=1.627e+03 (atom 928)
Step 6525, Epot=-2.400238e+05, Fnorm=2.979e+02, Fmax=1.678e+03 (atom 1774)
Step 6526, Epot=-2.400239e+05, Fnorm=2.899e+02, Fmax=1.690e+03 (atom 1330)
Step 6527, Epot=-2.400240e+05, Fnorm=2.772e+02, Fmax=2.005e+03 (atom 2770)
Step 6528, Epot=-2.400241e+05, Fnorm=2.866e+02, Fmax=1.727e+03 (atom 5218)
Step 6529, Epot=-2.400242e+05, Fnorm=2.907e+02, Fmax=2.021e+03 (atom 4030)
Step 6530, Epot=-2.400243e+05, Fnorm=2.823e+02, Fmax=1.532e+03 (atom 4696)
Step 6531, Epot=-2.400243e+05, Fnorm=2.920e+02, Fmax=1.812e+03 (atom 2836)
Step 6532, Epot=-2.400245e+05, Fnorm=2.876e+02, Fmax=1.928e+03 (atom 562)
Step 6533, Epot=-2.400246e+05, Fnorm=2.832e+02, Fmax=2.004e+03 (atom 5350)
Step 6534, Epot=-2.400246e+05, Fnorm=2.885e+02, Fmax=1.656e+03 (atom 4630)
Step 6535, Epot=-2.400247e+05, Fnorm=2.804e+02, Fmax=1.607e+03 (atom 1180)
Step 6536, Epot=-2.400248e+05, Fnorm=2.765e+02, Fmax=1.683e+03 (atom 1840)
Step 6537, Epot=-2.400248e+05, Fnorm=2.783e+02, Fmax=2.095e+03 (atom 1330)
Step 6538, Epot=-2.400249e+05, Fnorm=2.939e+02, Fmax=1.880e+03 (atom 1510)
Step 6539, Epot=-2.400250e+05, Fnorm=2.961e+02, Fmax=1.881e+03 (atom 1510)
Step 6540, Epot=-2.400251e+05, Fnorm=2.889e+02, Fmax=1.620e+03 (atom 5956)
Step 6541, Epot=-2.400251e+05, Fnorm=2.824e+02, Fmax=1.620e+03 (atom 5956)
Step 6542, Epot=-2.400252e+05, Fnorm=2.870e+02, Fmax=1.873e+03 (atom 5218)
Step 6543, Epot=-2.400253e+05, Fnorm=2.871e+02, Fmax=1.821e+03 (atom 5878)
Step 6544, Epot=-2.400254e+05, Fnorm=2.874e+02, Fmax=1.586e+03 (atom 5080)
Step 6545, Epot=-2.400254e+05, Fnorm=2.953e+02, Fmax=1.763e+03 (atom 3088)
Step 6546, Epot=-2.400256e+05, Fnorm=2.818e+02, Fmax=2.042e+03 (atom 4330)
Step 6547, Epot=-2.400256e+05, Fnorm=2.793e+02, Fmax=1.636e+03 (atom 1588)
Step 6548, Epot=-2.400257e+05, Fnorm=2.797e+02, Fmax=1.543e+03 (atom 1330)
Step 6549, Epot=-2.400258e+05, Fnorm=2.821e+02, Fmax=2.093e+03 (atom 4564)
Step 6550, Epot=-2.400258e+05, Fnorm=2.960e+02, Fmax=2.511e+03 (atom 5878)
Step 6551, Epot=-2.400259e+05, Fnorm=2.868e+02, Fmax=1.848e+03 (atom 3130)
Step 6552, Epot=-2.400260e+05, Fnorm=2.781e+02, Fmax=2.140e+03 (atom 3574)
Step 6553, Epot=-2.400260e+05, Fnorm=2.891e+02, Fmax=1.684e+03 (atom 1588)
Step 6554, Epot=-2.400260e+05, Fnorm=2.851e+02, Fmax=1.778e+03 (atom 3508)
Step 6555, Epot=-2.400262e+05, Fnorm=2.872e+02, Fmax=1.519e+03 (atom 952)
Step 6556, Epot=-2.400263e+05, Fnorm=2.895e+02, Fmax=2.016e+03 (atom 3376)
Step 6557, Epot=-2.400263e+05, Fnorm=2.889e+02, Fmax=1.803e+03 (atom 2770)
Step 6558, Epot=-2.400264e+05, Fnorm=2.820e+02, Fmax=1.655e+03 (atom 4630)
Step 6559, Epot=-2.400264e+05, Fnorm=2.871e+02, Fmax=2.220e+03 (atom 4498)
Step 6560, Epot=-2.400265e+05, Fnorm=2.850e+02, Fmax=1.680e+03 (atom 1774)
Step 6561, Epot=-2.400266e+05, Fnorm=2.868e+02, Fmax=2.162e+03 (atom 3034)
Step 6562, Epot=-2.400266e+05, Fnorm=2.811e+02, Fmax=2.054e+03 (atom 5152)
Step 6563, Epot=-2.400267e+05, Fnorm=2.837e+02, Fmax=2.192e+03 (atom 1336)
Step 6564, Epot=-2.400267e+05, Fnorm=2.888e+02, Fmax=2.043e+03 (atom 4330)
Step 6565, Epot=-2.400267e+05, Fnorm=2.757e+02, Fmax=1.637e+03 (atom 1330)
Step 6566, Epot=-2.400268e+05, Fnorm=2.789e+02, Fmax=1.538e+03 (atom 5890)
Step 6567, Epot=-2.400269e+05, Fnorm=2.789e+02, Fmax=1.670e+03 (atom 1516)
Step 6568, Epot=-2.400269e+05, Fnorm=2.870e+02, Fmax=1.731e+03 (atom 3574)
Step 6569, Epot=-2.400270e+05, Fnorm=2.834e+02, Fmax=1.640e+03 (atom 5494)
Step 6570, Epot=-2.400271e+05, Fnorm=2.854e+02, Fmax=1.636e+03 (atom 3304)
Step 6571, Epot=-2.400271e+05, Fnorm=2.835e+02, Fmax=2.113e+03 (atom 1330)
Step 6572, Epot=-2.400272e+05, Fnorm=2.883e+02, Fmax=2.113e+03 (atom 1330)
Step 6573, Epot=-2.400272e+05, Fnorm=2.858e+02, Fmax=1.694e+03 (atom 5080)
Step 6574, Epot=-2.400272e+05, Fnorm=2.805e+02, Fmax=1.595e+03 (atom 3964)
Step 6575, Epot=-2.400273e+05, Fnorm=2.900e+02, Fmax=1.721e+03 (atom 4156)
Energy minimization has stopped, but the forces have not converged to the
requested precision Fmax < 1 (which may not be possible for your system). It
stopped because the algorithm tried to make a new step whose size was too
small, or there was no change in the energy since last step. Either way, we
regard the minimization as converged to within the available machine
precision, given your starting configuration and EM parameters.
Double precision normally gives you higher accuracy, but this is often not
needed for preparing to run molecular dynamics.
writing lowest energy coordinates.
Low-Memory BFGS Minimizer converged to machine precision in 6575 steps,
but did not reach the requested Fmax < 1.
Potential Energy = -2.4002728e+05
Maximum force = 1.7213174e+03 on atom 4156
Norm of force = 2.8995251e+02
GROMACS reminds you: "Is That a Real Poncho ?" (F. Zappa)
Проведём утряску воды:
! gmx grompp -f pr -c pep_empr -r pep_empr -p pep -o pep_pr -maxwarn 1
! gmx mdrun -deffnm pep_pr -v
:-) GROMACS - gmx grompp, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx grompp, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx grompp -f pr -c pep_empr -r pep_empr -p pep -o pep_pr -maxwarn 1
Ignoring obsolete mdp entry 'title'
Ignoring obsolete mdp entry 'cpp'
Ignoring obsolete mdp entry 'ns_type'
Replacing old mdp entry 'nstxtcout' by 'nstxout-compressed'
NOTE 1 [file pr.mdp]:
nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting
nstcomm to nstcalcenergy
Setting the LD random seed to -204779149
Generated 2145 of the 2145 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 0.5
Generated 2145 of the 2145 1-4 parameter combinations
Excluding 3 bonded neighbours molecule type 'Protein_chain_A'
turning all bonds into constraints...
Excluding 3 bonded neighbours molecule type 'FAM'
turning all bonds into constraints...
Excluding 1 bonded neighbours molecule type 'NA'
turning all bonds into constraints...
NOTE 2 [file unknown]:
You are using constraints on all bonds, whereas the forcefield has been
parametrized only with constraints involving hydrogen atoms. We suggest
using constraints = h-bonds instead, this will also improve performance.
Velocities were taken from a Maxwell distribution at 300 K
WARNING 1 [file unknown]:
There are atoms at both ends of an angle, connected by constraints and
with masses that differ by more than a factor of 13. This means that
there are likely dynamic modes that are only very weakly coupled. To
ensure good equipartitioning, you need to either not use constraints on
all bonds (but, if possible, only on bonds involving hydrogens) or use
integrator = sd or decrease one or more tolerances:
verlet-buffer-tolerance <= 0.0001, LINCS iterations >= 2, LINCS order >=
4 or SHAKE tolerance <= 1e-05
Analysing residue names:
There are: 15 Protein residues
There are: 1009 Other residues
There are: 1 Ion residues
Analysing Protein...
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Number of degrees of freedom in T-Coupling group System is 13600.00
Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K
Calculated rlist for 1x1 atom pair-list as 1.021 nm, buffer size 0.021 nm
Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm
Note that mdrun will redetermine rlist based on the actual pair-list setup
NOTE 3 [file pr.mdp]:
Removing center of mass motion in the presence of position restraints
might cause artifacts. When you are using position restraints to
equilibrate a macro-molecule, the artifacts are usually negligible.
Calculating fourier grid dimensions for X Y Z
Using a fourier grid of 44x40x36, spacing 0.115 0.117 0.117
Estimate for the relative computational load of the PME mesh part: 0.23
This run will generate roughly 1 Mb of data
There were 3 notes
There was 1 warning
GROMACS reminds you: "I Am a Poor Lonesome Cowboy" (Lucky Luke)
:-) GROMACS - gmx mdrun, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx mdrun, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx mdrun -deffnm pep_pr -v
Compiled SIMD: SSE2, but for this host/run AVX_512 might be better (see log).
The current CPU can measure timings more accurately than the code in
gmx mdrun was configured to use. This might affect your simulation
speed as accurate timings are needed for load-balancing.
Please consider rebuilding gmx mdrun with the GMX_USE_RDTSCP=ON CMake option.
Reading file pep_pr.tpr, VERSION 2020.1-Ubuntu-2020.1-1 (single precision)
Changing nstlist from 10 to 100, rlist from 1 to 1.105
Using 64 MPI threads
Using 1 OpenMP thread per tMPI thread
starting mdrun 'ARGININE ATTENUATOR PEPTIDE in water'
1000 steps, 2.0 ps.
step [TRUNCATED]Writing final coordinates.
step [TRUNCATED]
Dynamic load balancing report:
DLB was off during the run due to low measured imbalance.
Average load imbalance: 36.3%.
The balanceable part of the MD step is 39%, load imbalance is computed from this.
Part of the total run time spent waiting due to load imbalance: 14.1%.
Average PME mesh/force load: 1.133
Part of the total run time spent waiting due to PP/PME imbalance: 6.0 %
NOTE: 14.1 % of the available CPU time was lost due to load imbalance
in the domain decomposition.
You might want to use dynamic load balancing (option -dlb.)
You can also consider manually changing the decomposition (option -dd);
e.g. by using fewer domains along the box dimension in which there is
considerable inhomogeneity in the simulated system.
NOTE: 6.0 % performance was lost because the PME ranks
had more work to do than the PP ranks.
You might want to increase the number of PME ranks
or increase the cut-off and the grid spacing.
Core t (s) Wall t (s) (%)
Time: 54.840 0.860 6376.3
(ns/day) (hour/ns)
Performance: 201.117 0.119
GROMACS reminds you: "Why, how now, Claudio ! Whence Comes this Restraint ?" (Lucio in Measure for measure, Act 1, Scene 4, William Shakespeare)
Подготовим файлы для расчёта:
! gmx grompp -f md -c pep_pr -p pep -o pep_md -maxwarn 1
:-) GROMACS - gmx grompp, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx grompp, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx grompp -f md -c pep_pr -p pep -o pep_md -maxwarn 1
Ignoring obsolete mdp entry 'title'
Ignoring obsolete mdp entry 'cpp'
Ignoring obsolete mdp entry 'ns_type'
Replacing old mdp entry 'nstxtcout' by 'nstxout-compressed'
NOTE 1 [file md.mdp]:
nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting
nstcomm to nstcalcenergy
Setting the LD random seed to -2055074411
Generated 2145 of the 2145 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 0.5
Generated 2145 of the 2145 1-4 parameter combinations
Excluding 3 bonded neighbours molecule type 'Protein_chain_A'
turning all bonds into constraints...
Excluding 3 bonded neighbours molecule type 'FAM'
turning all bonds into constraints...
Excluding 1 bonded neighbours molecule type 'NA'
turning all bonds into constraints...
NOTE 2 [file unknown]:
You are using constraints on all bonds, whereas the forcefield has been
parametrized only with constraints involving hydrogen atoms. We suggest
using constraints = h-bonds instead, this will also improve performance.
Velocities were taken from a Maxwell distribution at 300 K
WARNING 1 [file unknown]:
There are atoms at both ends of an angle, connected by constraints and
with masses that differ by more than a factor of 13. This means that
there are likely dynamic modes that are only very weakly coupled. To
ensure good equipartitioning, you need to either not use constraints on
all bonds (but, if possible, only on bonds involving hydrogens) or use
integrator = sd or decrease one or more tolerances:
verlet-buffer-tolerance <= 0.0001, LINCS iterations >= 2, LINCS order >=
4 or SHAKE tolerance <= 1e-05
Analysing residue names:
There are: 15 Protein residues
There are: 1009 Other residues
There are: 1 Ion residues
Analysing Protein...
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Number of degrees of freedom in T-Coupling group Protein is 482.89
Number of degrees of freedom in T-Coupling group non-Protein is 13117.11
Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 350 K
Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm
Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm
Note that mdrun will redetermine rlist based on the actual pair-list setup
Calculating fourier grid dimensions for X Y Z
Using a fourier grid of 44x40x36, spacing 0.115 0.117 0.117
Estimate for the relative computational load of the PME mesh part: 0.23
This run will generate roughly 119 Mb of data
There were 2 notes
There was 1 warning
GROMACS reminds you: "Before we work on artificial intelligence why don't we do something about natural stupidity?" (Steve Polyak)
Наконец, запускаем само моделирование и терпеливо ждём. Примечание: поскольку был сгенерирован очень массивный лог из-за опции -v, пришлось вручную заменить информацию на слово [TRUNCATED], т. к. иначе было невозможно скачать Jupyter notebook как HTML.
! gmx mdrun -deffnm pep_md -v
:-) GROMACS - gmx mdrun, 2020.1-Ubuntu-2020.1-1 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
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Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
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check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
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GROMACS: gmx mdrun, version 2020.1-Ubuntu-2020.1-1
Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/marinakan/pr11
Command line:
gmx mdrun -deffnm pep_md -v
Compiled SIMD: SSE2, but for this host/run AVX_512 might be better (see log).
The current CPU can measure timings more accurately than the code in
gmx mdrun was configured to use. This might affect your simulation
speed as accurate timings are needed for load-balancing.
Please consider rebuilding gmx mdrun with the GMX_USE_RDTSCP=ON CMake option.
Reading file pep_md.tpr, VERSION 2020.1-Ubuntu-2020.1-1 (single precision)
Changing nstlist from 10 to 100, rlist from 1 to 1.12
Using 64 MPI threads
Using 1 OpenMP thread per tMPI thread
starting mdrun 'ARGININE ATTENUATOR PEPTIDE in water'
10000000 steps, 20000.0 ps.
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IOPub message rate exceeded. The notebook server will temporarily stop sending output to the client in order to avoid crashing it. To change this limit, set the config variable `--NotebookApp.iopub_msg_rate_limit`. Current values: NotebookApp.iopub_msg_rate_limit=1000.0 (msgs/sec) NotebookApp.rate_limit_window=3.0 (secs)
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IOPub message rate exceeded. The notebook server will temporarily stop sending output to the client in order to avoid crashing it. To change this limit, set the config variable `--NotebookApp.iopub_msg_rate_limit`. Current values: NotebookApp.iopub_msg_rate_limit=1000.0 (msgs/sec) NotebookApp.rate_limit_window=3.0 (secs)
step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]step [TRUNCATED]Writing final coordinates.
step [TRUNCATED]
Dynamic load balancing report:
DLB got disabled because it was unsuitable to use.
Average load imbalance: 17.1%.
The balanceable part of the MD step is 59%, load imbalance is computed from this.
Part of the total run time spent waiting due to load imbalance: 10.1%.
Average PME mesh/force load: 0.753
Part of the total run time spent waiting due to PP/PME imbalance: 4.5 %
NOTE: 10.1 % of the available CPU time was lost due to load imbalance
in the domain decomposition.
You might want to use dynamic load balancing (option -dlb.)
You can also consider manually changing the decomposition (option -dd);
e.g. by using fewer domains along the box dimension in which there is
considerable inhomogeneity in the simulated system.
Core t (s) Wall t (s) (%)
Time: 408753.002 6386.767 6400.0
1h46:26
(ns/day) (hour/ns)
Performance: 270.559 0.089
GROMACS reminds you: "Trying is the first step towards failure." (Homer Simpson)
Результаты моделирования молекулярной динамики будем анализировать в следующем практикуме.