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:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_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 16:19:29      -15.586094         1.177348
BFGS:    1 16:19:29      -15.644949         1.155773
BFGS:    2 16:19:29      -15.814147         1.100957
BFGS:    3 16:19:29      -15.973243         1.004044
BFGS:    4 16:19:29      -16.107309         0.747030
BFGS:    5 16:19:29      -16.184570         0.238088
BFGS:    6 16:19:29      -16.190138         0.087456
BFGS:    7 16:19:29      -16.190913         0.004642
BFGS:    8 16:19:29      -16.190916         0.000075
BFGS:    9 16:19:29      -16.190916         0.000000
BFGS:   10 16:19:29      -16.190916         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.525115879249758e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.85657064e-49 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([[3.5483740893882416, -9.475182988875637e-33, -1.4852361117815519e-33], [-9.284024582438016e-33, 3.5483740893882416, -8.957157925402745e-18], [-4.056790982660017e-33, -8.957157925402739e-18, 3.5483740893882416]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.52511588e-14  8.52511588e-14  8.52511588e-14  1.96986738e-30
 -8.15793827e-35 -9.49266995e-52]
energy per atom =  -4.047728912402657
===============================================
==== 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 16:19:32      -15.933844         1.406244
BFGS:    1 16:19:32      -16.013476         1.224993
BFGS:    2 16:19:32      -16.151629         0.591994
BFGS:    3 16:19:32      -16.190869         0.019261
BFGS:    4 16:19:32      -16.190915         0.001534
BFGS:    5 16:19:32      -16.190916         0.000006
BFGS:    6 16:19:32      -16.190916         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9691324341465772e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.64142659e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.17105626e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5483740895406974, -8.393621223934137e-33, 6.385995779432028e-34], [-3.920378613974777e-33, 3.5483740895406974, -4.712096966402763e-18], [-6.480945402587618e-33, -4.7120969664027565e-18, 3.5483740895406974]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.96913243e-10  1.96913243e-10  1.96913243e-10  2.90377768e-26
 -1.55416892e-58 -5.72354791e-59]
energy per atom =  -4.047728912402613
===============================================
==== 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 16:19:35      -16.131463         0.625029
BFGS:    1 16:19:35      -16.147221         0.550264
BFGS:    2 16:19:35      -16.190913         0.004781
BFGS:    3 16:19:35      -16.190916         0.000898
BFGS:    4 16:19:35      -16.190916         0.000001
BFGS:    5 16:19:35      -16.190916         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4416143899092963e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.85657064e-49 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([[3.5483740893770093, -1.7367326698067884e-32, -2.4774434399403e-32], [-5.789963771721869e-33, 3.5483740893770093, 2.3259852768390715e-19], [-8.78502905921661e-33, 2.3259852768389555e-19, 3.5483740893770093]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.44161439e-11 -1.44161439e-11 -1.44161439e-11 -1.64374897e-27
  1.32566497e-34  6.47286407e-51]
energy per atom =  -4.047728912402676
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0