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_000
==== 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 12:44:46      -27.084948         1.159169
BFGS:    1 12:44:48      -27.150975         1.144476
BFGS:    2 12:44:50      -27.340699         1.095071
BFGS:    3 12:44:52      -27.516065         1.038352
BFGS:    4 12:44:55      -27.676314         0.974436
BFGS:    5 12:44:57      -27.820856         0.903154
BFGS:    6 12:45:00      -27.949293         0.824304
BFGS:    7 12:45:02      -28.061487         0.737794
BFGS:    8 12:45:04      -28.157616         0.643651
BFGS:    9 12:45:07      -28.238207         0.542031
BFGS:   10 12:45:09      -28.304145         0.433211
BFGS:   11 12:45:12      -28.356635         0.334525
BFGS:   12 12:45:14      -28.397106         0.346251
BFGS:   13 12:45:16      -28.427052         0.317917
BFGS:   14 12:45:19      -28.446996         0.214974
BFGS:   15 12:45:21      -28.455771         0.119174
BFGS:   16 12:45:23      -28.461792         0.022923
BFGS:   17 12:45:26      -28.462079         0.003056
BFGS:   18 12:45:28      -28.462084         0.000172
BFGS:   19 12:45:30      -28.462084         0.000010
BFGS:   20 12:45:32      -28.462084         0.000000
BFGS:   21 12:45:35      -28.462084         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.477159771343731e-10 eV/Angstrom
Maximum stress component: 1.2732462324852915e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.60665186e-49 0.00000000e+00]
 [4.80886915e-49 5.00000000e-01 1.35357633e-34]
 [6.24195460e-67 0.00000000e+00 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, -1.101582880716312e-32, 6.4586361643370415e-34], [2.624554401924666e-32, 5.691381858556365, 7.92703938623778e-18], [-1.856561131594363e-33, 7.92703938623777e-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]
 [-2.47715977e-10 -2.47715977e-10 -2.47715977e-10]
 [ 2.47715977e-10  2.47715977e-10 -2.47715977e-10]
 [ 2.47715977e-10 -2.47715977e-10  2.47715977e-10]
 [-2.47715977e-10  2.47715977e-10  2.47715977e-10]
 [-2.47715977e-10 -2.47715977e-10  2.47715977e-10]
 [ 2.47715977e-10  2.47715977e-10  2.47715977e-10]
 [-2.47715977e-10  2.47715977e-10 -2.47715977e-10]
 [ 2.47715977e-10 -2.47715977e-10 -2.47715977e-10]]
stress =  [ 1.27324623e-10  1.27324623e-10  1.27324623e-10 -2.36047788e-27
 -2.53684393e-34 -2.25143859e-51]
energy per atom =  -1.7788802425638541
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0