element(s):
['Co', 'Fe']
AFLOW prototype label:
AB7_cI16_229_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9417']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  229
cell =  [[5.9417, 0, 0], [0, 5.9417, 0], [0, 0, 5.9417]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:57:15      -26.945403         1.231798
BFGS:    1 12:57:18      -27.009951         1.213544
BFGS:    2 12:57:20      -27.187922         1.158638
BFGS:    3 12:57:22      -27.357305         1.099003
BFGS:    4 12:57:24      -27.517399         1.034829
BFGS:    5 12:57:26      -27.667517         0.965906
BFGS:    6 12:57:28      -27.806912         0.891791
BFGS:    7 12:57:30      -27.934772         0.812027
BFGS:    8 12:57:32      -28.050214         0.726140
BFGS:    9 12:57:35      -28.152283         0.633636
BFGS:   10 12:57:37      -28.239948         0.534002
BFGS:   11 12:57:39      -28.312100         0.426703
BFGS:   12 12:57:42      -28.367548         0.311183
BFGS:   13 12:57:44      -28.405015         0.186859
BFGS:   14 12:57:47      -28.423135         0.053124
BFGS:   15 12:57:50      -28.424644         0.002752
BFGS:   16 12:57:52      -28.424648         0.000038
BFGS:   17 12:57:55      -28.424648         0.000000
BFGS:   18 12:57:57      -28.424648         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.196303905777576e-30 eV/Angstrom
Maximum stress component: 2.1068269270244786e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', '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 0.00000000e+00 2.40638612e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 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([[5.686766225244356, -2.4664508599577295e-32, 7.755295372425363e-33], [-1.451060648517366e-32, 5.686766225244356, 1.6281403052651582e-18], [-8.983759756034019e-33, 1.6281403052651637e-18, 5.686766225244356]])
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]
 [ 6.95106821e-31 -1.09815195e-30  1.07478702e-30]
 [ 8.64502601e-31 -6.27932633e-32  2.67236446e-31]
 [ 1.40189611e-31 -2.19630391e-30 -1.35516624e-30]
 [ 4.67298703e-31  1.49681616e-31  1.14488182e-30]
 [-1.08062825e-30 -4.67298703e-32 -9.11232472e-31]
 [-4.20568833e-31  9.17073705e-31 -9.81327277e-31]
 [-1.05142208e-31  1.01929530e-30  1.46907030e-30]
 [-1.86919481e-31  2.10284417e-31 -4.90663639e-31]]
stress =  [-2.10682693e-14 -2.10682693e-14 -2.10682693e-14 -2.37916076e-31
  4.44668636e-34  5.18011133e-51]
energy per atom =  -1.7765404720830003
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0