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 17:13:20      -90.336206         2.137250
BFGS:    1 17:13:20      -90.527958         2.049852
BFGS:    2 17:13:21      -90.824870         1.909551
BFGS:    3 17:13:21      -91.100996         1.772699
BFGS:    4 17:13:21      -91.356848         1.639226
BFGS:    5 17:13:22      -91.592929         1.509065
BFGS:    6 17:13:22      -91.809730         1.382150
BFGS:    7 17:13:22      -92.007733         1.258416
BFGS:    8 17:13:23      -92.187411         1.137800
BFGS:    9 17:13:23      -92.349226         1.020239
BFGS:   10 17:13:24      -92.493632         0.905672
BFGS:   11 17:13:24      -92.621074         0.794039
BFGS:   12 17:13:24      -92.731988         0.685281
BFGS:   13 17:13:24      -92.826799         0.579339
BFGS:   14 17:13:24      -92.905927         0.476158
BFGS:   15 17:13:25      -92.969782         0.375681
BFGS:   16 17:13:25      -93.018764         0.277854
BFGS:   17 17:13:26      -93.053268         0.182624
BFGS:   18 17:13:26      -93.073679         0.089937
BFGS:   19 17:13:26      -93.080369         0.002383
BFGS:   20 17:13:27      -93.080374         0.000032
BFGS:   21 17:13:27      -93.080374         0.000000
BFGS:   22 17:13:28      -93.080374         0.000000
Minimization converged after 22 steps.
Maximum force component: 4.536571734977869e-31 eV/Angstrom
Maximum stress component: 3.828761662185682e-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 1.93125482e-33 1.00000000e+00]
 [1.00000000e+00 4.15243553e-33 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, 1.0795895889441981e-33, 1.8975656050395939e-34], [8.072275662207324e-33, 6.79477706770485, -1.541490775043386e-18], [6.403820781575468e-34, -1.5414907750433868e-18, 6.79477706770485]])
forces =  [[-1.04690117e-31 -1.39586823e-32  4.88553879e-32]
 [ 2.79173645e-32  1.53545505e-31 -1.39586823e-32]
 [ 2.79173645e-32 -1.25628140e-31  2.02400893e-31]
 [ 1.39586823e-32 -1.25628140e-31 -1.39586823e-32]
 [ 6.97934113e-33 -2.44276940e-31  3.21049692e-31]
 [ 1.53545505e-31  2.09380234e-32  4.18760468e-32]
 [ 6.97934113e-32 -1.29117811e-31  9.07314347e-32]
 [-4.88553879e-32  4.88553879e-32  9.77107758e-32]
 [-2.51256281e-31  1.04690117e-31 -3.41987715e-31]
 [ 4.18760468e-32  1.39586823e-32 -1.39586823e-32]
 [ 6.97934113e-32 -4.53657173e-31  7.67727524e-32]
 [-2.79173645e-32 -1.39586823e-32  2.37297598e-31]
 [-5.58347290e-32  1.39586823e-32  1.11669458e-31]
 [-8.37520936e-32  2.09380234e-32  4.88553879e-32]
 [ 9.77107758e-32 -6.97934113e-33 -5.58347290e-32]
 [ 6.97934113e-33  5.58347290e-32  6.97934113e-32]
 [-1.39586823e-32 -3.57691233e-32 -6.97934113e-33]
 [ 2.44276940e-32 -9.59659405e-33  3.48967057e-33]
 [-3.48967057e-32  1.30862646e-32  3.48967057e-33]
 [ 3.22794527e-32  6.19416525e-32 -8.72417641e-33]
 [ 1.22138470e-32 -4.53657173e-32 -2.26828587e-32]
 [-2.96621998e-32 -2.89533605e-32 -1.04690117e-32]
 [ 2.26828587e-32  7.67727524e-32 -6.97934113e-33]
 [ 3.48967057e-33 -2.96621998e-32 -1.74483528e-33]]
stress =  [-3.82876166e-15 -3.82876166e-15 -3.82876166e-15  4.84825339e-32
 -1.11239440e-35  2.25971650e-52]
energy per atom =  -3.8783489077652065
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0