element(s):
['Co', 'Fe']
AFLOW prototype label:
A7B9_cP16_221_acd_bg
Parameter names:
['a', 'x5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8141', '0.24871136']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Co', 'Co', 'Fe', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.5        0.5       ]
 [0.5        0.         0.        ]
 [0.5        0.5        0.5       ]
 [0.24871136 0.24871136 0.24871136]]
spacegroup =  221
cell =  [[5.8141, 0, 0], [0, 5.8141, 0], [0, 0, 5.8141]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:06:09      -27.679966        0.8624
BFGS:    1 17:06:09      -27.711768        0.8440
BFGS:    2 17:06:09      -27.833272        0.7656
BFGS:    3 17:06:10      -27.942066        0.6810
BFGS:    4 17:06:10      -28.037282        0.5897
BFGS:    5 17:06:11      -28.118014        0.4912
BFGS:    6 17:06:11      -28.183322        0.3851
BFGS:    7 17:06:11      -28.232222        0.2710
BFGS:    8 17:06:12      -28.263696        0.1484
BFGS:    9 17:06:12      -28.276727        0.0706
BFGS:   10 17:06:13      -28.277447        0.0543
BFGS:   11 17:06:13      -28.277994        0.0265
BFGS:   12 17:06:14      -28.278227        0.0061
BFGS:   13 17:06:14      -28.278249        0.0011
BFGS:   14 17:06:15      -28.278250        0.0001
BFGS:   15 17:06:15      -28.278250        0.0000
BFGS:   16 17:06:16      -28.278250        0.0000
BFGS:   17 17:06:16      -28.278250        0.0000
Minimization converged after 17 steps.
Maximum force component: 2.1320653998801322e-10 eV/Angstrom
Maximum stress component: 1.1511634065248249e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.45015208e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.08181523e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.36060508e-34]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [4.83384026e-49 5.00000000e-01 1.36060508e-34]
 [1.93353611e-48 6.80302538e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.49300909e-01 2.49300909e-01 2.49300909e-01]
 [7.50699091e-01 7.50699091e-01 2.49300909e-01]
 [7.50699091e-01 2.49300909e-01 7.50699091e-01]
 [2.49300909e-01 7.50699091e-01 7.50699091e-01]
 [2.49300909e-01 2.49300909e-01 7.50699091e-01]
 [7.50699091e-01 7.50699091e-01 7.50699091e-01]
 [2.49300909e-01 7.50699091e-01 2.49300909e-01]
 [7.50699091e-01 2.49300909e-01 2.49300909e-01]]
cellpar =  Cell([[5.661980771990713, 1.3755097869190573e-32, 1.9931023243679893e-32], [-3.5511344725296573e-32, 5.661980771990713, -1.0378622366597124e-17], [-7.276121239912618e-32, -1.0378622366597042e-17, 5.661980771990713]])
forces =  [[ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [-2.1320654e-10 -2.1320654e-10 -2.1320654e-10]
 [ 2.1320654e-10  2.1320654e-10 -2.1320654e-10]
 [ 2.1320654e-10 -2.1320654e-10  2.1320654e-10]
 [-2.1320654e-10  2.1320654e-10  2.1320654e-10]
 [-2.1320654e-10 -2.1320654e-10  2.1320654e-10]
 [ 2.1320654e-10  2.1320654e-10  2.1320654e-10]
 [-2.1320654e-10  2.1320654e-10 -2.1320654e-10]
 [ 2.1320654e-10 -2.1320654e-10 -2.1320654e-10]]
stress =  [ 1.15116341e-10  1.15116341e-10  1.15116341e-10 -1.56993826e-27
  1.28162929e-34 -1.58227989e-51]
energy per atom =  -1.767390617286075
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0