element(s):
['Cr', 'Fe']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5412']
model name:
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.5412, 0, 0], [0, 6.5412, 0], [0, 0, 6.5412]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 20:47:10      -90.336206        2.1373
BFGS:    1 20:47:11      -90.527958        2.0499
BFGS:    2 20:47:11      -90.824870        1.9096
BFGS:    3 20:47:11      -91.100996        1.7727
BFGS:    4 20:47:11      -91.356848        1.6392
BFGS:    5 20:47:11      -91.592929        1.5091
BFGS:    6 20:47:11      -91.809730        1.3822
BFGS:    7 20:47:11      -92.007733        1.2584
BFGS:    8 20:47:11      -92.187411        1.1378
BFGS:    9 20:47:11      -92.349226        1.0202
BFGS:   10 20:47:11      -92.493632        0.9057
BFGS:   11 20:47:11      -92.621074        0.7940
BFGS:   12 20:47:11      -92.731988        0.6853
BFGS:   13 20:47:11      -92.826799        0.5793
BFGS:   14 20:47:11      -92.905927        0.4762
BFGS:   15 20:47:11      -92.969782        0.3757
BFGS:   16 20:47:11      -93.018764        0.2779
BFGS:   17 20:47:11      -93.053268        0.1826
BFGS:   18 20:47:11      -93.073679        0.0899
BFGS:   19 20:47:11      -93.080369        0.0024
BFGS:   20 20:47:11      -93.080374        0.0000
BFGS:   21 20:47:11      -93.080374        0.0000
BFGS:   22 20:47:11      -93.080374        0.0000
Minimization converged after 22 steps.
Maximum force component: 7.188721364657238e-31 eV/Angstrom
Maximum stress component: 3.533370387779944e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.84206758e-33 1.00000000e+00]
 [1.00000000e+00 1.17912162e-32 5.00000000e-01]
 [1.00000000e+00 5.00000000e-01 1.00000000e+00]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.79477706770485, -3.879683481810328e-34, 9.510502358093299e-33], [4.747521449942341e-33, 6.79477706770485, -7.788634328675026e-18], [2.1492386847823957e-32, -7.788634328675034e-18, 6.79477706770485]])
forces =  [[ 1.81462869e-31 -5.58347290e-32 -5.58347290e-32]
 [ 2.51256281e-31 -3.76884421e-31  7.67727524e-32]
 [-8.37520936e-32  2.23338916e-31 -1.39586823e-32]
 [-1.18644488e-63 -1.81462869e-31 -3.35008374e-31]
 [ 4.81574538e-31 -1.39586823e-32 -1.39586823e-32]
 [ 2.09380234e-31 -6.97934113e-32 -1.11669458e-31]
 [ 4.22017628e-64 -2.79173645e-32  1.39586823e-31]
 [ 1.53545505e-31 -1.60524846e-31 -3.48967057e-32]
 [-3.21049692e-31  2.51256281e-31  1.39586823e-32]
 [ 1.53545505e-31 -4.18760468e-32 -4.18760468e-32]
 [-5.58347290e-32 -1.67504187e-31  1.92004660e-49]
 [-1.11669458e-31  1.39586823e-31  1.39586823e-32]
 [ 1.25628140e-31 -6.97934113e-32 -3.48967057e-32]
 [-1.39586823e-32  7.18872136e-31  4.46677832e-31]
 [-8.37520936e-32 -1.25628140e-31  1.11669458e-31]
 [ 1.67504187e-31 -5.58347290e-32 -1.39586823e-31]
 [-4.36208821e-34  2.18104410e-34 -2.18104410e-34]
 [-3.05346174e-33  5.00012136e-52 -4.36208821e-34]
 [ 3.48967057e-33 -1.74483528e-33  5.45261026e-35]
 [-8.72417641e-34 -2.18104410e-33 -1.30862646e-33]
 [-3.48967057e-33 -1.00002427e-51  8.72417641e-34]
 [-2.68541055e-33 -1.74483528e-33  8.72417641e-34]
 [-2.07199190e-33  1.74483528e-33  1.74483528e-33]
 [-1.74483528e-33  8.72417641e-34 -4.79829703e-33]]
stress =  [-3.53337039e-15 -3.53337039e-15 -3.53337039e-15  6.36926346e-31
 -1.11239440e-35  9.27752531e-52]
energy per atom =  -3.878348907765208
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0