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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_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 11:10:52      -16.519904         2.297910
BFGS:    1 11:10:52      -16.731670         2.000158
BFGS:    2 11:10:52      -16.996447         1.528503
BFGS:    3 11:10:52      -17.190319         1.057992
BFGS:    4 11:10:52      -17.314387         0.601448
BFGS:    5 11:10:52      -17.370820         0.144358
BFGS:    6 11:10:52      -17.374117         0.005973
BFGS:    7 11:10:52      -17.374123         0.000115
BFGS:    8 11:10:52      -17.374123         0.000000
BFGS:    9 11:10:52      -17.374123         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.0856235794307057e-13 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([[3.569744018467799, -6.108989899353389e-33, -2.4459923750854336e-32], [1.645993070291741e-32, 3.569744018467799, -3.05947403074678e-17], [-1.2761077970368816e-32, -3.0594740307467805e-17, 3.569744018467799]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.08562358e-13 -4.08562358e-13 -4.08562358e-13 -7.59900684e-29
 -3.22422288e-34 -8.06610459e-50]
energy per atom =  -4.343530628707276
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0