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_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_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 08:58:35      -15.481996        1.8536
BFGS:    1 08:58:35      -15.630488        1.8698
BFGS:    2 08:58:35      -15.898281        1.6505
BFGS:    3 08:58:35      -16.114570        1.2109
BFGS:    4 08:58:35      -16.258586        0.7066
BFGS:    5 08:58:35      -16.327200        0.2119
BFGS:    6 08:58:35      -16.334241        0.0083
BFGS:    7 08:58:35      -16.334252        0.0001
BFGS:    8 08:58:35      -16.334252        0.0000
BFGS:    9 08:58:35      -16.334252        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.865966151036282e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.58572165e-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([[3.5689945474710028, 6.22532224929151e-33, -7.650261155906799e-33], [-1.5940414403434582e-33, 3.5689945474710028, 1.7118727738485704e-17], [4.681121039689756e-33, 1.7118727738485698e-17, 3.5689945474710028]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.86596615e-14  5.86596615e-14  5.86596615e-14  4.38929516e-30
  1.00799286e-35 -1.08732564e-51]
energy per atom =  -4.083563047552832
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0