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_MendelevBorovikov_2020_FeNiCr__MO_922363340570_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 10:32:14      -16.334729         0.689483
BFGS:    1 10:32:14      -16.353704         0.595653
BFGS:    2 10:32:14      -16.411733         0.203975
BFGS:    3 10:32:14      -16.422117         0.071705
BFGS:    4 10:32:14      -16.424133         0.027038
BFGS:    5 10:32:14      -16.424602         0.011061
BFGS:    6 10:32:14      -16.424742         0.005499
BFGS:    7 10:32:14      -16.424825         0.004837
BFGS:    8 10:32:14      -16.432727         0.160950
BFGS:    9 10:32:14      -16.464636         0.241538
BFGS:   10 10:32:14      -16.474832         0.094876
BFGS:   11 10:32:14      -16.477430         0.019181
BFGS:   12 10:32:14      -16.477496         0.007138
BFGS:   13 10:32:14      -16.477506         0.000190
BFGS:   14 10:32:14      -16.477506         0.000002
BFGS:   15 10:32:14      -16.477506         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.4432765424282686e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[7.86904986e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.4780705551242797, -5.522685869908946e-33, 1.0620554461372393e-32], [-2.966447474298307e-32, 3.4780705551242797, 8.927061264995958e-18], [-2.5761374064571507e-33, 8.927061264995965e-18, 3.4780705551242797]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.44327654e-11  3.44327654e-11  3.44327654e-11  2.52984530e-27
 -2.93761516e-59 -8.12714863e-60]
energy per atom =  -4.119376478364438
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0