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_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_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 11:10:53      -16.519904         2.297910
BFGS:    1 11:10:53      -16.731670         2.000158
BFGS:    2 11:10:53      -16.996447         1.528503
BFGS:    3 11:10:53      -17.190319         1.057992
BFGS:    4 11:10:53      -17.314387         0.601448
BFGS:    5 11:10:53      -17.370820         0.144358
BFGS:    6 11:10:53      -17.374117         0.005973
BFGS:    7 11:10:53      -17.374123         0.000115
BFGS:    8 11:10:53      -17.374123         0.000000
BFGS:    9 11:10:53      -17.374123         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.0866603952434885e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.58370912e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.09272290e-35]]
cellpar =  Cell([[3.5697440184718503, -1.6244388958769137e-33, -7.635354613242263e-35], [-2.841637420490179e-33, 3.5697440184718503, -1.0150494592977782e-18], [2.039627924260444e-35, -1.0150494592977784e-18, 3.5697440184718503]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.08666040e-13 -4.08666040e-13 -4.08666040e-13 -7.72091263e-32
  2.01513930e-35 -2.77384343e-54]
energy per atom =  -4.343530628706767
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0