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 15:17:28      -16.838272        1.5770
BFGS:    1 15:17:28      -16.902753        1.5094
BFGS:    2 15:17:28      -17.025218        1.3629
BFGS:    3 15:17:28      -17.122758        1.2214
BFGS:    4 15:17:28      -17.197954        1.0802
BFGS:    5 15:17:28      -17.255311        0.9368
BFGS:    6 15:17:28      -17.299845        0.7932
BFGS:    7 15:17:28      -17.336367        0.7469
BFGS:    8 15:17:28      -17.368913        0.9029
BFGS:    9 15:17:28      -17.400225        1.0001
BFGS:   10 15:17:28      -17.431923        1.0271
BFGS:   11 15:17:28      -17.464695        0.9688
BFGS:   12 15:17:28      -17.500217        0.7897
BFGS:   13 15:17:28      -17.536655        0.4281
BFGS:   14 15:17:28      -17.553200        0.1994
BFGS:   15 15:17:28      -17.556502        0.0367
BFGS:   16 15:17:28      -17.556600        0.0092
BFGS:   17 15:17:28      -17.556606        0.0079
BFGS:   18 15:17:28      -17.556608        0.0065
BFGS:   19 15:17:28      -17.556612        0.0063
BFGS:   20 15:17:28      -17.556616        0.0046
BFGS:   21 15:17:28      -17.556619        0.0016
BFGS:   22 15:17:28      -17.556619        0.0007
BFGS:   23 15:17:28      -17.556619        0.0005
BFGS:   24 15:17:28      -17.556619        0.0005
BFGS:   25 15:17:28      -17.556619        0.0003
BFGS:   26 15:17:28      -17.556620        0.0002
BFGS:   27 15:17:28      -17.556620        0.0001
BFGS:   28 15:17:28      -17.556620        0.0000
BFGS:   29 15:17:28      -17.556620        0.0000
BFGS:   30 15:17:28      -17.556620        0.0000
BFGS:   31 15:17:28      -17.556620        0.0000
Minimization converged after 31 steps.
Maximum force component: 1.0297637048628516e-10 eV/Angstrom
Maximum stress component: 1.1280564287003609e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co']
basis =  [[0.00000000e+00 3.33333333e-01 2.50000000e-01]
 [1.71490818e-35 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, 3.219809567050839e-36, 0.0], [8.469171722433387e-36, 4.362587128387158, 0.0], [0.0, 0.0, 4.05577318263064]])
forces =  [[-7.76146949e-33  1.02976370e-10  0.00000000e+00]
 [-6.20917559e-32 -1.02976370e-10  0.00000000e+00]
 [-3.10458780e-32  1.02976370e-10  0.00000000e+00]
 [-4.65688169e-32 -1.02976370e-10  0.00000000e+00]]
stress =  [-1.12805643e-10  3.08847188e-11 -3.21818417e-11  0.00000000e+00
  0.00000000e+00  3.98862938e-46]
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.