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_001
==== 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 16:45:57       -6.440777         1.556816
BFGS:    1 16:45:57       -6.503870         1.554312
BFGS:    2 16:45:58       -6.630727         1.534655
BFGS:    3 16:45:58       -6.740139         1.501083
BFGS:    4 16:45:59       -6.833659         1.451129
BFGS:    5 16:45:59       -6.913208         1.381705
BFGS:    6 16:46:00       -6.980989         1.290576
BFGS:    7 16:46:00       -7.039279         1.175591
BFGS:    8 16:46:01       -7.090161         1.034486
BFGS:    9 16:46:01       -7.135270         0.884407
BFGS:   10 16:46:02       -7.175699         1.006581
BFGS:   11 16:46:02       -7.212178         1.072173
BFGS:   12 16:46:03       -7.245605         1.057655
BFGS:   13 16:46:04       -7.278108         0.917150
BFGS:   14 16:46:04       -7.313444         0.549798
BFGS:   15 16:46:04       -7.336437         0.296467
BFGS:   16 16:46:05       -7.343201         0.051426
BFGS:   17 16:46:05       -7.343339         0.007472
BFGS:   18 16:46:06       -7.343341         0.003064
BFGS:   19 16:46:07       -7.343342         0.002611
BFGS:   20 16:46:07       -7.343343         0.001557
BFGS:   21 16:46:08       -7.343344         0.001429
BFGS:   22 16:46:08       -7.343345         0.000758
BFGS:   23 16:46:09       -7.343345         0.000635
BFGS:   24 16:46:09       -7.343345         0.000523
BFGS:   25 16:46:10       -7.343345         0.000420
BFGS:   26 16:46:11       -7.343345         0.000316
BFGS:   27 16:46:11       -7.343345         0.000153
BFGS:   28 16:46:12       -7.343345         0.000028
BFGS:   29 16:46:12       -7.343345         0.000003
BFGS:   30 16:46:13       -7.343345         0.000000
BFGS:   31 16:46:14       -7.343345         0.000000
Minimization converged after 31 steps.
Maximum force component: 3.0323240744403873e-09 eV/Angstrom
Maximum stress component: 6.546644009441982e-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([[2.4837209091772596, -2.674497244536216e-36, 0.0], [4.751802387623902e-36, 4.301930807904827, 0.0], [0.0, 0.0, 4.052235034724616]])
forces =  [[ 3.34942737e-45  3.03232407e-09 -1.99790612e-31]
 [-3.34942737e-45 -3.03232407e-09  1.99790612e-31]
 [ 3.34942737e-45  3.03232407e-09 -9.98953062e-32]
 [-3.34942737e-45 -3.03232407e-09  9.98953062e-32]]
stress =  [-8.61164347e-11  6.54664401e-10 -3.79150661e-10  0.00000000e+00
  0.00000000e+00  2.88399335e-34]
energy per atom =  -1.8358362462298699
===============================================
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.