element(s):
['Co', 'Fe']
AFLOW prototype label:
A3B5_cI16_229_b_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8538']
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.   0.5  0.5 ]
 [0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  229
cell =  [[5.8538, 0, 0], [0, 5.8538, 0], [0, 0, 5.8538]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:10:04      -27.440942         1.000358
BFGS:    1 10:10:05      -27.483426         0.981420
BFGS:    2 10:10:06      -27.625491         0.911918
BFGS:    3 10:10:07      -27.756733         0.837045
BFGS:    4 10:10:08      -27.876314         0.756366
BFGS:    5 10:10:09      -27.983329         0.669423
BFGS:    6 10:10:11      -28.076804         0.575744
BFGS:    7 10:10:12      -28.155691         0.474835
BFGS:    8 10:10:13      -28.218867         0.366182
BFGS:    9 10:10:14      -28.265132         0.249249
BFGS:   10 10:10:15      -28.293200         0.123475
BFGS:   11 10:10:16      -28.301732         0.009166
BFGS:   12 10:10:18      -28.301777         0.000304
BFGS:   13 10:10:19      -28.301777         0.000001
BFGS:   14 10:10:20      -28.301777         0.000000
Minimization converged after 14 steps.
Maximum force component: 8.848088805733313e-31 eV/Angstrom
Maximum stress component: 4.761821429918207e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[2.41470465e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.51726813e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.51726813e-16]
 [5.00000000e-01 7.58634067e-17 7.58634067e-17]
 [0.00000000e+00 5.00000000e-01 7.58634067e-17]
 [1.45482048e-50 7.58634067e-17 5.00000000e-01]
 [0.00000000e+00 7.58634067e-17 7.58634067e-17]
 [5.00000000e-01 5.00000000e-01 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([[5.6671756221274165, 9.1750382812969e-33, 1.0369582642071536e-33], [1.24420251958426e-32, 5.6671756221274165, -6.244410526060532e-18], [-5.646757636077742e-34, -6.244410526060249e-18, 5.6671756221274165]])
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]
 [-2.78685692e-31  2.32844442e-31  3.31803330e-31]
 [-3.49266663e-31 -2.91055553e-32 -2.21202220e-31]
 [ 2.21202220e-31  4.65688885e-32  1.16422221e-31]
 [-2.72136942e-31  5.12257773e-31  1.39706665e-31]
 [-2.91055553e-32  3.95835552e-31  1.04779999e-31]
 [ 2.67771109e-31  2.96330935e-31 -3.26513969e-49]
 [-1.57169999e-31  9.89588880e-32 -3.60908885e-31]
 [-3.02697775e-31 -5.82111106e-31 -8.84808881e-31]]
stress =  [-4.76182143e-12 -4.76182143e-12 -4.76182143e-12 -2.10378135e-29
 -1.91892111e-34 -1.43765716e-52]
energy per atom =  -1.7688610406955894
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0