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_001
==== 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 16:59:19      -27.679966         0.862354
BFGS:    1 16:59:20      -27.711768         0.843979
BFGS:    2 16:59:20      -27.833272         0.765650
BFGS:    3 16:59:21      -27.942066         0.681023
BFGS:    4 16:59:22      -28.037282         0.589679
BFGS:    5 16:59:23      -28.118014         0.491190
BFGS:    6 16:59:24      -28.183322         0.385118
BFGS:    7 16:59:24      -28.232222         0.271017
BFGS:    8 16:59:25      -28.263696         0.148429
BFGS:    9 16:59:26      -28.276727         0.070555
BFGS:   10 16:59:27      -28.277447         0.054280
BFGS:   11 16:59:28      -28.277994         0.026490
BFGS:   12 16:59:29      -28.278227         0.006089
BFGS:   13 16:59:30      -28.278249         0.001128
BFGS:   14 16:59:30      -28.278250         0.000115
BFGS:   15 16:59:31      -28.278250         0.000007
BFGS:   16 16:59:32      -28.278250         0.000000
BFGS:   17 16:59:33      -28.278250         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.1320483104596141e-10 eV/Angstrom
Maximum stress component: 1.1511741202900686e-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]
 [2.90030416e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.16363045e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [9.66768053e-49 8.16363045e-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([[5.661980771990715, -2.573914322322604e-32, 4.032064222267159e-32], [-3.2196401488680107e-32, 5.661980771990715, -2.5758937159340216e-17], [-3.639674332851088e-32, -2.5758937159340182e-17, 5.661980771990715]])
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]
 [-2.13204831e-10 -2.13204831e-10 -2.13204831e-10]
 [ 2.13204831e-10  2.13204831e-10 -2.13204831e-10]
 [ 2.13204831e-10 -2.13204831e-10  2.13204831e-10]
 [-2.13204831e-10  2.13204831e-10  2.13204831e-10]
 [-2.13204831e-10 -2.13204831e-10  2.13204831e-10]
 [ 2.13204831e-10  2.13204831e-10  2.13204831e-10]
 [-2.13204831e-10  2.13204831e-10 -2.13204831e-10]
 [ 2.13204831e-10 -2.13204831e-10 -2.13204831e-10]]
stress =  [ 1.15117412e-10  1.15117412e-10  1.15117412e-10  3.22955390e-27
 -1.28162929e-33 -1.15900327e-50]
energy per atom =  -1.7673906172860763
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0