element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7004']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7004, 0, 0], [0, 3.7004, 0], [0, 0, 3.7004]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 03:01:03      -17.326165        1.3096
BFGS:    1 03:01:03      -17.395083        1.1468
BFGS:    2 03:01:03      -17.535066        0.7246
BFGS:    3 03:01:03      -17.613035        0.3092
BFGS:    4 03:01:03      -17.628390        0.0417
BFGS:    5 03:01:04      -17.628646        0.0029
BFGS:    6 03:01:04      -17.628648        0.0000
BFGS:    7 03:01:04      -17.628648        0.0000
BFGS:    8 03:01:04      -17.628648        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8583841594805464e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[1.92200456e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.32796952e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.32796952e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.559969515041631, 1.4632639573276277e-32, -6.606588659709804e-33], [1.6578839335591467e-32, 3.559969515041631, 1.0193747831214197e-17], [3.078788157091475e-32, 1.019374783121417e-17, 3.559969515041631]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.85838416e-14  2.85838416e-14  2.85838416e-14  9.48393118e-31
 -3.24195250e-34  4.20192152e-50]
energy per atom =  -4.407161945742982
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0