element(s):
['Co']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4688', '2.0780541', '1.6128483', '0.3625698']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co']
representative atom coordinates =  [[0.        0.3625698 0.25     ]]
spacegroup =  63
cell =  [[2.4688, 0, 0], [0, 5.1303, 0], [0, 0, 3.9818]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:36:40       -6.440777        1.5568
BFGS:    1 16:36:41       -6.503870        1.5543
BFGS:    2 16:36:41       -6.630727        1.5347
BFGS:    3 16:36:41       -6.740139        1.5011
BFGS:    4 16:36:41       -6.833659        1.4511
BFGS:    5 16:36:42       -6.913208        1.3817
BFGS:    6 16:36:42       -6.980989        1.2906
BFGS:    7 16:36:42       -7.039279        1.1756
BFGS:    8 16:36:42       -7.090161        1.0345
BFGS:    9 16:36:42       -7.135270        0.8844
BFGS:   10 16:36:43       -7.175699        1.0066
BFGS:   11 16:36:43       -7.212178        1.0722
BFGS:   12 16:36:43       -7.245605        1.0577
BFGS:   13 16:36:43       -7.278108        0.9171
BFGS:   14 16:36:44       -7.313444        0.5498
BFGS:   15 16:36:44       -7.336437        0.2965
BFGS:   16 16:36:44       -7.343201        0.0514
BFGS:   17 16:36:44       -7.343339        0.0075
BFGS:   18 16:36:45       -7.343341        0.0031
BFGS:   19 16:36:45       -7.343342        0.0026
BFGS:   20 16:36:45       -7.343343        0.0016
BFGS:   21 16:36:45       -7.343344        0.0014
BFGS:   22 16:36:45       -7.343345        0.0008
BFGS:   23 16:36:46       -7.343345        0.0006
BFGS:   24 16:36:46       -7.343345        0.0005
BFGS:   25 16:36:46       -7.343345        0.0004
BFGS:   26 16:36:46       -7.343345        0.0003
BFGS:   27 16:36:47       -7.343345        0.0002
BFGS:   28 16:36:47       -7.343345        0.0000
BFGS:   29 16:36:47       -7.343345        0.0000
BFGS:   30 16:36:47       -7.343345        0.0000
BFGS:   31 16:36:48       -7.343345        0.0000
Minimization converged after 31 steps.
Maximum force component: 3.0323229839091846e-09 eV/Angstrom
Maximum stress component: 6.546647563918235e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co']
basis =  [[0.         0.33333333 0.25      ]
 [0.         0.66666667 0.75      ]
 [0.5        0.83333333 0.25      ]
 [0.5        0.16666667 0.75      ]]
cellpar =  Cell([[2.48372090917726, 3.6934584016052466e-36, 0.0], [-2.917022327189895e-37, 4.301930807904828, 0.0], [0.0, 0.0, 4.052235034724614]])
forces =  [[-2.05613578e-46  3.03232298e-09  0.00000000e+00]
 [ 2.05613578e-46 -3.03232298e-09  0.00000000e+00]
 [-2.05613578e-46  3.03232298e-09  9.98953062e-32]
 [ 2.05613578e-46 -3.03232298e-09 -9.98953062e-32]]
stress =  [-8.61158330e-11  6.54664756e-10 -3.79151566e-10  0.00000000e+00
  0.00000000e+00  1.80249584e-35]
energy per atom =  -1.8358362462298694
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC4_63_c, while relaxed is A_hP2_194_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.