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_2020_FeNiCrCoAl__MO_820335782779_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 16:43:50      -16.519904         2.297910
BFGS:    1 16:43:50      -16.731670         2.000158
BFGS:    2 16:43:50      -16.996447         1.528503
BFGS:    3 16:43:50      -17.190319         1.057992
BFGS:    4 16:43:50      -17.314387         0.601448
BFGS:    5 16:43:50      -17.370820         0.144358
BFGS:    6 16:43:50      -17.374117         0.005973
BFGS:    7 16:43:50      -17.374123         0.000115
BFGS:    8 16:43:50      -17.374123         0.000000
BFGS:    9 16:43:50      -17.374123         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.08073599668691e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.43755637e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.74393575e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.74393575e-36]]
cellpar =  Cell([[3.5697440184718507, -2.9651739646924646e-33, -2.925441574875667e-33], [-2.970791778816796e-33, 3.5697440184718507, -4.0778536095484385e-19], [1.597343196580767e-33, -4.07785360954846e-19, 3.5697440184718507]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.08073600e-13 -4.08073600e-13 -4.08073600e-13 -1.27331449e-29
  0.00000000e+00  8.99016615e-62]
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