element(s):
['Cr', 'Fe']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8057']
model name:
EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.8057, 0, 0], [0, 3.8057, 0], [0, 0, 3.8057]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:20:07      -16.891424         1.420701
BFGS:    1 13:20:07      -16.974253         1.299357
BFGS:    2 13:20:07      -17.145897         0.986064
BFGS:    3 13:20:07      -17.268900         0.648524
BFGS:    4 13:20:07      -17.338073         0.262876
BFGS:    5 13:20:07      -17.349516         0.046877
BFGS:    6 13:20:07      -17.349853         0.003128
BFGS:    7 13:20:07      -17.349854         0.000037
BFGS:    8 13:20:07      -17.349854         0.000000
BFGS:    9 13:20:07      -17.349854         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.5573777764130693e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.6158464239596633, 1.3694974660531827e-32, 4.353723071895847e-33], [7.319724033869135e-33, 3.6158464239596633, 6.0902877649918856e-18], [-2.9920115811702876e-33, 6.0902877649918725e-18, 3.6158464239596633]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.55737778e-14  2.55737778e-14  2.55737778e-14 -2.37595280e-31
  3.14252870e-34 -4.21284632e-51]
energy per atom =  -4.337463618698906
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0