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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 16:19:20      -16.860857         1.204519
BFGS:    1 16:19:20      -16.919176         1.054938
BFGS:    2 16:19:20      -17.045408         0.633491
BFGS:    3 16:19:20      -17.111056         0.238450
BFGS:    4 16:19:20      -17.120825         0.027470
BFGS:    5 16:19:20      -17.120946         0.001378
BFGS:    6 16:19:20      -17.120947         0.000007
BFGS:    7 16:19:20      -17.120947         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4897858588322074e-10 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 4.24094917e-34]]
cellpar =  Cell([[3.633016791977121, 5.0273711779341416e-33, 2.5698490788553285e-32], [-2.784413658871992e-33, 3.633016791977121, 9.406397529526073e-18], [-2.8133064898088962e-33, 9.406397529526104e-18, 3.633016791977121]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.48978586e-10 -1.48978586e-10 -1.48978586e-10  3.37248266e-28
  8.43277179e-59  3.24338560e-60]
energy per atom =  -4.280236658908041
===============================================
==== 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 16:19:22      -16.396843         2.640141
BFGS:    1 16:19:22      -16.658462         1.999280
BFGS:    2 16:19:22      -16.902581         1.277758
BFGS:    3 16:19:23      -17.047790         0.680275
BFGS:    4 16:19:23      -17.113071         0.207621
BFGS:    5 16:19:23      -17.120785         0.028973
BFGS:    6 16:19:23      -17.120946         0.001335
BFGS:    7 16:19:23      -17.120947         0.000008
BFGS:    8 16:19:23      -17.120947         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.91127153879778e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.12091924e-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([[3.6330167919234775, -6.626707520056607e-33, -6.289575946494122e-34], [-1.1989665009015979e-33, 3.6330167919234775, 7.873324314383034e-18], [1.2900167190519481e-32, 7.873324314383025e-18, 3.6330167919234775]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.91127154e-10 -1.91127154e-10 -1.91127154e-10  1.83358407e-27
  1.94555903e-35 -1.70216761e-51]
energy per atom =  -4.280236658908006
===============================================
==== 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 16:19:25      -17.104368         0.319276
BFGS:    1 16:19:25      -17.108436         0.275572
BFGS:    2 16:19:25      -17.120889         0.017978
BFGS:    3 16:19:25      -17.120946         0.001045
BFGS:    4 16:19:25      -17.120947         0.000004
BFGS:    5 16:19:25      -17.120947         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.185467566705712e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.70839942e-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([[3.633016792088005, 5.950305695453727e-37, -1.698148979750211e-33], [-1.909004794662207e-33, 3.633016792088005, 2.436732003026484e-20], [1.8053971746117262e-35, 2.436732003026565e-20, 3.633016792088005]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.18546757e-11 -6.18546757e-11 -6.18546757e-11  3.81885616e-26
  1.08951306e-33 -2.20179811e-49]
energy per atom =  -4.280236658908004
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0