element(s):
['Fe']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
3
Parameter values for parameter set 0:
['3.7691']
Parameter values for parameter set 1:
['3.449']
Parameter values for parameter set 2:
['3.6011']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.7691, 0, 0], [0, 3.7691, 0], [0, 0, 3.7691]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:59:59       -6.844451        1.5932
BFGS:    1 16:59:59       -6.950748        1.5179
BFGS:    2 16:59:59       -7.163001        1.2988
BFGS:    3 17:00:00       -7.335890        0.9895
BFGS:    4 17:00:00       -7.454108        0.5651
BFGS:    5 17:00:00       -7.498067        0.0064
BFGS:    6 17:00:00       -7.498071        0.0009
BFGS:    7 17:00:01       -7.498071        0.0000
BFGS:    8 17:00:01       -7.498071        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1660291842076936e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.35152852e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.73134033e-33]]
cellpar =  Cell([[3.559655894891234, 1.1107981028353053e-34, -5.555188689362312e-33], [1.1884683398882424e-34, 3.559655894891234, 4.175476615850651e-17], [7.623360391254429e-33, 4.175476615850653e-17, 3.559655894891234]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.16602918e-11 -2.16602918e-11 -2.16602918e-11  5.46160823e-27
  1.01328868e-35 -1.14899729e-51]
energy per atom =  -1.8745178130924505
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.449, 0, 0], [0, 3.449, 0], [0, 0, 3.449]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:00:03       -7.161812        1.9335
BFGS:    1 17:00:04       -7.300226        1.4179
BFGS:    2 17:00:04       -7.451887        0.6333
BFGS:    3 17:00:04       -7.496274        0.1167
BFGS:    4 17:00:04       -7.498046        0.0137
BFGS:    5 17:00:04       -7.498071        0.0004
BFGS:    6 17:00:05       -7.498071        0.0000
BFGS:    7 17:00:05       -7.498071        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.688692736670405e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.20815213e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.559655894902372, 1.4276850395445225e-33, 3.210436244640146e-33], [-7.5259535719873735e-34, 3.559655894902372, 8.924403739482291e-19], [3.338491771267784e-33, 8.924403739482105e-19, 3.559655894902372]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.68869274e-12 -8.68869274e-12 -8.68869274e-12 -3.23011035e-27
  2.02657736e-35 -6.29822635e-53]
energy per atom =  -1.8745178130924485
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6011, 0, 0], [0, 3.6011, 0], [0, 0, 3.6011]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:00:07       -7.463028        0.4870
BFGS:    1 17:00:08       -7.472509        0.4211
BFGS:    2 17:00:08       -7.497546        0.0653
BFGS:    3 17:00:08       -7.498065        0.0070
BFGS:    4 17:00:08       -7.498071        0.0001
BFGS:    5 17:00:09       -7.498071        0.0000
BFGS:    6 17:00:09       -7.498071        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1455889553970854e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.35260964e-35]]
cellpar =  Cell([[3.559655894910103, 2.8799726777304406e-34, -1.2329809667004634e-32], [-1.0587554083064145e-34, 3.559655894910103, -4.866417865722749e-19], [-7.262385430616893e-33, -4.866417865722813e-19, 3.559655894910103]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.14558896e-13  3.14558896e-13  3.14558896e-13 -7.16508108e-29
 -8.10630945e-35  2.74128354e-50]
energy per atom =  -1.8745178130924485
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0