element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6153']
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.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[6.6153, 0, 0], [0, 6.6153, 0], [0, 0, 6.6153]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:03:18     -100.549946         1.679536
BFGS:    1 14:03:18     -100.671338         1.691967
BFGS:    2 14:03:19     -100.925295         1.686311
BFGS:    3 14:03:19     -101.174551         1.627011
BFGS:    4 14:03:19     -101.410077         1.502115
BFGS:    5 14:03:20     -101.622070         1.314972
BFGS:    6 14:03:20     -101.802012         1.076728
BFGS:    7 14:03:20     -101.943153         0.799817
BFGS:    8 14:03:21     -102.040709         0.497992
BFGS:    9 14:03:21     -102.092059         0.186375
BFGS:   10 14:03:21     -102.100482         0.002113
BFGS:   11 14:03:22     -102.100483         0.000028
BFGS:   12 14:03:22     -102.100483         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.6665523863539048e-31 eV/Angstrom
Maximum stress component: 4.812385601628973e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[9.62964972e-34 1.92592970e-33 0.00000000e+00]
 [6.41976648e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [6.25000000e-01 6.25000000e-01 6.25000000e-01]
 [3.75000000e-01 8.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 3.75000000e-01]
 [1.25000000e-01 3.75000000e-01 8.75000000e-01]
 [8.75000000e-01 3.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 8.75000000e-01]
 [1.25000000e-01 8.75000000e-01 3.75000000e-01]
 [6.25000000e-01 1.25000000e-01 1.25000000e-01]
 [3.75000000e-01 3.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 8.75000000e-01]
 [8.75000000e-01 8.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 3.75000000e-01]
 [1.25000000e-01 6.25000000e-01 1.25000000e-01]
 [6.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar =  Cell([[6.490092927554966, -2.4839807579982064e-33, 1.1488010981077571e-33], [7.528446981220577e-32, 6.490092927554966, 5.037890768805871e-18], [-4.4300871998966895e-35, 5.037890768805875e-18, 6.490092927554966]])
forces =  [[ 5.66642382e-32 -6.66638097e-33  2.66655239e-32]
 [ 1.23328048e-31 -2.66655239e-32  9.99957145e-33]
 [ 1.33327619e-32 -6.66638097e-32  3.99982858e-32]
 [-3.86669725e-64 -3.33319048e-32  3.33319048e-33]
 [ 3.20819584e-32  3.16653096e-32 -6.66638097e-33]
 [ 3.99982858e-32 -2.12490893e-32  5.99974287e-32]
 [ 1.33327619e-32 -1.33327619e-32  6.66638097e-33]
 [ 2.99987143e-32 -1.33327619e-32 -5.33310477e-32]
 [-5.99974287e-32  1.99991429e-32  2.16657381e-32]
 [ 2.66655239e-31 -1.04995500e-31 -1.66659524e-32]
 [ 7.99965716e-32  9.33293335e-32  3.99982858e-32]
 [ 3.16653096e-32  7.99965716e-32 -6.66638097e-33]
 [ 1.59993143e-31 -4.66646668e-32  5.99974287e-32]
 [-1.00555515e-63 -8.66629526e-32  3.99982858e-32]
 [ 3.33319048e-32 -3.99982858e-32 -1.33327619e-32]
 [ 4.66646668e-32  2.66655239e-32 -1.99991429e-32]
 [-1.19994857e-31 -3.33319048e-32  2.16657381e-32]
 [-1.33327619e-32 -5.33310477e-32  1.33327619e-32]
 [-1.59993143e-31  4.33314763e-32 -1.13328476e-31]
 [ 1.03328905e-31  7.99965716e-32  5.33310477e-32]
 [ 8.33297621e-33  5.99974287e-32  1.99991429e-32]
 [ 6.66638097e-32 -9.33293335e-32  1.79992286e-31]
 [ 7.99965716e-32 -6.66638097e-33  1.39994000e-31]
 [-2.95820655e-32  3.99982858e-32  3.99982858e-32]]
stress =  [ 4.81238560e-10  4.81238560e-10  4.81238560e-10  2.08076253e-27
 -2.43858211e-35 -1.55983371e-52]
energy per atom =  -4.254186785887266
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0