element(s):
['Co', 'Fe']
AFLOW prototype label:
AB15_cP16_221_a_bcdg
Parameter names:
['a', 'x5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9305', '0.24462472']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe', 'Fe', 'Fe', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.5        0.5        0.5       ]
 [0.         0.5        0.5       ]
 [0.5        0.         0.        ]
 [0.24462472 0.24462472 0.24462472]]
spacegroup =  221
cell =  [[5.9305, 0, 0], [0, 5.9305, 0], [0, 0, 5.9305]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:06:42      -27.084948         1.159169
BFGS:    1 16:06:45      -27.150975         1.144476
BFGS:    2 16:06:48      -27.340699         1.095071
BFGS:    3 16:06:51      -27.516065         1.038352
BFGS:    4 16:06:53      -27.676314         0.974436
BFGS:    5 16:06:56      -27.820856         0.903154
BFGS:    6 16:06:58      -27.949293         0.824304
BFGS:    7 16:07:00      -28.061487         0.737794
BFGS:    8 16:07:03      -28.157616         0.643651
BFGS:    9 16:07:05      -28.238207         0.542031
BFGS:   10 16:07:08      -28.304145         0.433211
BFGS:   11 16:07:10      -28.356635         0.334525
BFGS:   12 16:07:13      -28.397106         0.346251
BFGS:   13 16:07:15      -28.427052         0.317917
BFGS:   14 16:07:18      -28.446996         0.214974
BFGS:   15 16:07:21      -28.455771         0.119174
BFGS:   16 16:07:23      -28.461792         0.022923
BFGS:   17 16:07:24      -28.462079         0.003056
BFGS:   18 16:07:26      -28.462084         0.000172
BFGS:   19 16:07:27      -28.462084         0.000010
BFGS:   20 16:07:28      -28.462084         0.000000
BFGS:   21 16:07:30      -28.462084         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.477158275325434e-10 eV/Angstrom
Maximum stress component: 1.2732462066751938e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Fe', '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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.35357633e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 6.01108644e-49 2.40443457e-49]
 [0.00000000e+00 5.00000000e-01 1.35357633e-34]
 [4.80886915e-49 1.35357633e-34 5.00000000e-01]
 [2.49306888e-01 2.49306888e-01 2.49306888e-01]
 [7.50693112e-01 7.50693112e-01 2.49306888e-01]
 [7.50693112e-01 2.49306888e-01 7.50693112e-01]
 [2.49306888e-01 7.50693112e-01 7.50693112e-01]
 [2.49306888e-01 2.49306888e-01 7.50693112e-01]
 [7.50693112e-01 7.50693112e-01 7.50693112e-01]
 [2.49306888e-01 7.50693112e-01 2.49306888e-01]
 [7.50693112e-01 2.49306888e-01 2.49306888e-01]]
cellpar =  Cell([[5.691381858556365, -4.121063714936808e-33, 2.118058233996028e-32], [1.3427815870846352e-32, 5.691381858556365, -7.854247796770137e-18], [2.4629022181444818e-32, -7.854247796770129e-18, 5.691381858556365]])
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]
 [-2.47715828e-10 -2.47715828e-10 -2.47715828e-10]
 [ 2.47715828e-10  2.47715828e-10 -2.47715828e-10]
 [ 2.47715828e-10 -2.47715828e-10  2.47715828e-10]
 [-2.47715828e-10  2.47715828e-10  2.47715828e-10]
 [-2.47715828e-10 -2.47715828e-10  2.47715828e-10]
 [ 2.47715828e-10  2.47715828e-10  2.47715828e-10]
 [-2.47715828e-10  2.47715828e-10 -2.47715828e-10]
 [ 2.47715828e-10 -2.47715828e-10 -2.47715828e-10]]
stress =  [1.27324621e-10 1.27324621e-10 1.27324621e-10 6.17738399e-26
 1.26842197e-34 3.24676449e-50]
energy per atom =  -1.778880242563853
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0