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_HybridOverlay_BelandLuOsetskiy_2016_CoNi__SM_445377835613_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 16:45:49      -16.838272         1.576990
BFGS:    1 16:45:49      -16.902753         1.509398
BFGS:    2 16:45:49      -17.025218         1.362874
BFGS:    3 16:45:49      -17.122758         1.221415
BFGS:    4 16:45:49      -17.197954         1.080186
BFGS:    5 16:45:49      -17.255311         0.936834
BFGS:    6 16:45:49      -17.299845         0.793185
BFGS:    7 16:45:49      -17.336367         0.746890
BFGS:    8 16:45:49      -17.368913         0.902853
BFGS:    9 16:45:49      -17.400225         1.000124
BFGS:   10 16:45:50      -17.431923         1.027050
BFGS:   11 16:45:50      -17.464695         0.968848
BFGS:   12 16:45:50      -17.500217         0.789706
BFGS:   13 16:45:50      -17.536655         0.428060
BFGS:   14 16:45:50      -17.553200         0.199427
BFGS:   15 16:45:50      -17.556502         0.036734
BFGS:   16 16:45:50      -17.556600         0.009235
BFGS:   17 16:45:50      -17.556606         0.007907
BFGS:   18 16:45:50      -17.556608         0.006520
BFGS:   19 16:45:50      -17.556612         0.006311
BFGS:   20 16:45:50      -17.556616         0.004641
BFGS:   21 16:45:50      -17.556619         0.001613
BFGS:   22 16:45:50      -17.556619         0.000666
BFGS:   23 16:45:50      -17.556619         0.000530
BFGS:   24 16:45:50      -17.556619         0.000451
BFGS:   25 16:45:50      -17.556619         0.000263
BFGS:   26 16:45:50      -17.556620         0.000249
BFGS:   27 16:45:50      -17.556620         0.000089
BFGS:   28 16:45:50      -17.556620         0.000011
BFGS:   29 16:45:50      -17.556620         0.000001
BFGS:   30 16:45:50      -17.556620         0.000000
BFGS:   31 16:45:50      -17.556620         0.000000
Minimization converged after 31 steps.
Maximum force component: 1.0297608252218814e-10 eV/Angstrom
Maximum stress component: 1.1280593373124603e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co']
basis =  [[0.00000000e+00 3.33333333e-01 2.50000000e-01]
 [3.50849451e-36 6.66666667e-01 7.50000000e-01]
 [5.00000000e-01 8.33333333e-01 2.50000000e-01]
 [5.00000000e-01 1.66666667e-01 7.50000000e-01]]
cellpar =  Cell([[2.5187408526043455, 3.1799449011185356e-36, 0.0], [-1.5726861368175102e-35, 4.362587128387157, 0.0], [0.0, 0.0, 4.05577318263064]])
forces =  [[ 2.32844085e-32  1.02976083e-10  0.00000000e+00]
 [-6.20917559e-32 -1.02976083e-10  0.00000000e+00]
 [-3.10458780e-32  1.02976083e-10  0.00000000e+00]
 [-1.55229390e-32 -1.02976083e-10  0.00000000e+00]]
stress =  [-1.12805934e-10  3.08840408e-11 -3.21819033e-11  0.00000000e+00
  0.00000000e+00  1.12174169e-33]
energy per atom =  -4.372018793789949
===============================================
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.