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 15:45:27      -16.334729        0.6895
BFGS:    1 15:45:27      -16.353704        0.5957
BFGS:    2 15:45:27      -16.411733        0.2040
BFGS:    3 15:45:27      -16.422117        0.0717
BFGS:    4 15:45:27      -16.424133        0.0270
BFGS:    5 15:45:27      -16.424602        0.0111
BFGS:    6 15:45:27      -16.424742        0.0055
BFGS:    7 15:45:27      -16.424825        0.0048
BFGS:    8 15:45:27      -16.432727        0.1610
BFGS:    9 15:45:27      -16.464636        0.2415
BFGS:   10 15:45:27      -16.474832        0.0949
BFGS:   11 15:45:27      -16.477430        0.0192
BFGS:   12 15:45:27      -16.477496        0.0071
BFGS:   13 15:45:27      -16.477506        0.0002
BFGS:   14 15:45:27      -16.477506        0.0000
BFGS:   15 15:45:27      -16.477506        0.0000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.4432654597594124e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.42988125e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.4780705551242788, -3.162562978213747e-33, 1.3450264980805558e-32], [-2.5708787116051253e-32, 3.4780705551242788, 1.682009791528529e-17], [-1.4504129297235327e-32, 1.6820097915285312e-17, 3.4780705551242788]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.44326546e-11  3.44326546e-11  3.44326546e-11  3.64436605e-28
  1.78561760e-58 -6.59758455e-59]
energy per atom =  -4.119376478364441
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0