element(s):
['Co', 'Fe']
AFLOW prototype label:
AB7_cI16_229_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9417']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  229
cell =  [[5.9417, 0, 0], [0, 5.9417, 0], [0, 0, 5.9417]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:00:21      -26.945403         1.231798
BFGS:    1 18:00:21      -27.009951         1.213544
BFGS:    2 18:00:22      -27.187922         1.158638
BFGS:    3 18:00:23      -27.357305         1.099003
BFGS:    4 18:00:24      -27.517399         1.034829
BFGS:    5 18:00:25      -27.667517         0.965906
BFGS:    6 18:00:25      -27.806912         0.891791
BFGS:    7 18:00:26      -27.934772         0.812027
BFGS:    8 18:00:27      -28.050214         0.726140
BFGS:    9 18:00:28      -28.152283         0.633636
BFGS:   10 18:00:28      -28.239948         0.534002
BFGS:   11 18:00:29      -28.312100         0.426703
BFGS:   12 18:00:30      -28.367548         0.311183
BFGS:   13 18:00:31      -28.405015         0.186859
BFGS:   14 18:00:31      -28.423135         0.053124
BFGS:   15 18:00:32      -28.424644         0.002752
BFGS:   16 18:00:33      -28.424648         0.000038
BFGS:   17 18:00:33      -28.424648         0.000000
BFGS:   18 18:00:34      -28.424648         0.000000
Minimization converged after 18 steps.
Maximum force component: 3.925309108198222e-30 eV/Angstrom
Maximum stress component: 2.1218272903038426e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.40638612e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.48272468e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.70934991e-34]
 [5.00000000e-01 1.92510890e-48 0.00000000e+00]
 [2.40638612e-48 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 4.06402486e-34 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.686766225244356, 1.0057159676892618e-31, -5.103028131545762e-32], [4.6672751925407696e-32, 5.686766225244356, 1.3017280564843168e-17], [-2.1000235058560056e-32, 1.3017280564843113e-17, 5.686766225244356]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.10399319e-30 -2.10284417e-30  3.47553411e-30]
 [-1.68227533e-30 -2.39490585e-30 -2.41827079e-30]
 [-2.33649352e-31  2.61687274e-30  1.16824676e-30]
 [ 4.32251301e-31  3.69750099e-30 -8.87867536e-31]
 [ 1.50703832e-30  2.89725196e-30  2.89725196e-30]
 [ 1.16824676e-30  3.29445586e-30 -3.45801040e-30]
 [-1.55376819e-30 -1.27338897e-30 -3.00823540e-30]
 [-7.94407796e-31 -3.92530911e-30  7.79804711e-31]]
stress =  [-2.12182729e-14 -2.12182729e-14 -2.12182729e-14  3.26356583e-30
 -2.54096364e-34  3.12535156e-50]
energy per atom =  -1.776540472082995
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0