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:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== 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 15:50:08      -32.990259         1.903490
BFGS:    1 15:50:08      -33.142377         1.826166
BFGS:    2 15:50:09      -33.405888         1.688204
BFGS:    3 15:50:09      -33.649103         1.555528
BFGS:    4 15:50:09      -33.872801         1.427940
BFGS:    5 15:50:10      -34.077729         1.305248
BFGS:    6 15:50:10      -34.264614         1.187324
BFGS:    7 15:50:11      -34.434157         1.074014
BFGS:    8 15:50:11      -34.587040         0.965148
BFGS:    9 15:50:11      -34.723915         0.860556
BFGS:   10 15:50:12      -34.845413         0.760077
BFGS:   11 15:50:12      -34.952136         0.663553
BFGS:   12 15:50:13      -35.044668         0.570830
BFGS:   13 15:50:13      -35.123568         0.481760
BFGS:   14 15:50:13      -35.189372         0.396197
BFGS:   15 15:50:14      -35.242595         0.314002
BFGS:   16 15:50:14      -35.283734         0.235037
BFGS:   17 15:50:14      -35.313261         0.159169
BFGS:   18 15:50:15      -35.331633         0.086269
BFGS:   19 15:50:15      -35.339284         0.016211
BFGS:   20 15:50:16      -35.339572         0.000392
BFGS:   21 15:50:16      -35.339572         0.000002
BFGS:   22 15:50:16      -35.339572         0.000000
Minimization converged after 22 steps.
Maximum force component: 6.842130931395245e-31 eV/Angstrom
Maximum stress component: 1.657781162830337e-11 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 =  [[1.2500000e-01 1.2500000e-01 1.2500000e-01]
 [8.7500000e-01 3.7500000e-01 6.2500000e-01]
 [3.7500000e-01 6.2500000e-01 8.7500000e-01]
 [6.2500000e-01 8.7500000e-01 3.7500000e-01]
 [3.7500000e-01 8.7500000e-01 6.2500000e-01]
 [8.7500000e-01 6.2500000e-01 3.7500000e-01]
 [6.2500000e-01 3.7500000e-01 8.7500000e-01]
 [1.2500000e-01 6.2500000e-01 6.2500000e-01]
 [8.7500000e-01 8.7500000e-01 1.2500000e-01]
 [3.7500000e-01 1.2500000e-01 3.7500000e-01]
 [3.7500000e-01 3.7500000e-01 1.2500000e-01]
 [8.7500000e-01 1.2500000e-01 8.7500000e-01]
 [6.2500000e-01 1.2500000e-01 6.2500000e-01]
 [1.2500000e-01 8.7500000e-01 8.7500000e-01]
 [1.2500000e-01 3.7500000e-01 3.7500000e-01]
 [6.2500000e-01 6.2500000e-01 1.2500000e-01]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 2.7605213e-33 1.0000000e+00]
 [1.0000000e+00 0.0000000e+00 5.0000000e-01]
 [1.0000000e+00 5.0000000e-01 1.0000000e+00]
 [2.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 7.5000000e-01 7.5000000e-01]
 [7.5000000e-01 2.5000000e-01 2.5000000e-01]
 [2.5000000e-01 2.5000000e-01 7.5000000e-01]]
cellpar =  Cell([[6.7971380626468445, -6.344229755906784e-34, 1.1729087149158814e-36], [3.948199314365155e-33, 6.7971380626468445, 3.1401710270217986e-18], [-2.2767847551684105e-36, 3.1401710270217978e-18, 6.7971380626468445]])
forces =  [[ 1.11708260e-31 -8.37811951e-32 -2.23416520e-31]
 [ 8.37811951e-32  1.39635325e-31 -4.18905975e-31]
 [-3.07197715e-31 -1.11708260e-31 -1.95489455e-31]
 [-1.11708260e-31  1.67562390e-31  1.11708260e-31]
 [-3.35124780e-31  3.35124780e-31 -1.67562390e-31]
 [-8.37811951e-32  1.11708260e-31  4.18905975e-31]
 [ 1.95489455e-31 -5.58541301e-31 -1.95489455e-31]
 [-1.62180295e-64 -2.79270650e-31 -1.11708260e-31]
 [ 8.37811951e-32  3.90978910e-31  1.80626116e-49]
 [ 1.67562390e-31  5.58541301e-32  2.79270650e-31]
 [ 4.04942443e-31  6.84213093e-31  7.67994288e-32]
 [-6.48309580e-65 -1.11708260e-31 -1.67562390e-31]
 [ 1.53598858e-31 -5.58541301e-32 -1.95489455e-31]
 [-1.67562390e-31  5.58541301e-32  5.58541301e-31]
 [-3.07197715e-31 -2.51343585e-31  1.11708260e-31]
 [ 2.86252417e-31  9.77447276e-32 -6.28358963e-32]
 [-1.13453702e-32  1.57089741e-32 -1.28726315e-32]
 [ 1.13453702e-32  3.49088313e-33  1.39635325e-32]
 [ 3.49088313e-33 -2.13816592e-32  2.79270650e-32]
 [ 1.13453702e-32 -5.67268508e-33 -2.87997858e-32]
 [-6.76358606e-33 -1.62544246e-32 -1.39635325e-32]
 [ 1.39635325e-32 -2.71088893e-32  1.22180909e-32]
 [-1.57089741e-32  1.91998572e-32  6.98176626e-33]
 [-5.67268508e-33  1.57089741e-32 -1.78907760e-32]]
stress =  [-1.65778116e-11 -1.65778116e-11 -1.65778116e-11 -4.50438311e-32
 -7.76309644e-64  1.87904570e-60]
energy per atom =  -1.4724821598822366
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0