element(s):
['Ga']
AFLOW prototype label:
A_oC8_64_f
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5397', '1.6992092', '1.0032161', '0.84397269', '0.081681897']
model name:
Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.84397269 0.0816819 ]]
spacegroup =  64
cell =  [[4.5397, 0, 0], [0, 7.7139, 0], [0, 0, 4.5543]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:40:57      -20.523924        0.4873
BFGS:    1 16:40:57      -20.544634        0.4922
BFGS:    2 16:40:57      -20.610125        0.4866
BFGS:    3 16:40:57      -20.620001        0.4577
BFGS:    4 16:40:57      -20.645780        0.3508
BFGS:    5 16:40:57      -20.664370        0.2310
BFGS:    6 16:40:57      -20.672664        0.1404
BFGS:    7 16:40:58      -20.674700        0.1231
BFGS:    8 16:40:58      -20.677090        0.1133
BFGS:    9 16:40:58      -20.681076        0.1158
BFGS:   10 16:40:58      -20.688130        0.1314
BFGS:   11 16:40:58      -20.694932        0.1487
BFGS:   12 16:40:58      -20.699859        0.1638
BFGS:   13 16:40:58      -20.701662        0.1668
BFGS:   14 16:40:58      -20.703777        0.1793
BFGS:   15 16:40:58      -20.707922        0.1837
BFGS:   16 16:40:58      -20.714833        0.1691
BFGS:   17 16:40:58      -20.722021        0.1489
BFGS:   18 16:40:58      -20.729284        0.1359
BFGS:   19 16:40:58      -20.735401        0.0983
BFGS:   20 16:40:58      -20.738707        0.0403
BFGS:   21 16:40:58      -20.738960        0.0415
BFGS:   22 16:40:58      -20.739100        0.0401
BFGS:   23 16:40:58      -20.739192        0.0420
BFGS:   24 16:40:58      -20.739561        0.0439
BFGS:   25 16:40:58      -20.740115        0.0396
BFGS:   26 16:40:58      -20.740865        0.0242
BFGS:   27 16:40:58      -20.741307        0.0122
BFGS:   28 16:40:58      -20.741405        0.0021
BFGS:   29 16:40:58      -20.741411        0.0003
BFGS:   30 16:40:58      -20.741412        0.0000
BFGS:   31 16:40:58      -20.741412        0.0000
BFGS:   32 16:40:58      -20.741412        0.0000
BFGS:   33 16:40:58      -20.741412        0.0000
BFGS:   34 16:40:58      -20.741412        0.0000
Minimization converged after 34 steps.
Maximum force component: 3.272712292140546e-10 eV/Angstrom
Maximum stress component: 1.0904057459824401e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[4.26940467e-35 8.37918212e-01 8.77892471e-02]
 [1.24842594e-35 6.62081788e-01 5.87789247e-01]
 [0.00000000e+00 3.37918212e-01 4.12210753e-01]
 [0.00000000e+00 1.62081788e-01 9.12210753e-01]
 [5.00000000e-01 3.37918212e-01 8.77892471e-02]
 [5.00000000e-01 1.62081788e-01 5.87789247e-01]
 [5.00000000e-01 8.37918212e-01 4.12210753e-01]
 [5.00000000e-01 6.62081788e-01 9.12210753e-01]]
cellpar =  Cell([[4.516577251346351, 9.823052375075926e-37, 0.0], [5.0837982737408844e-36, 7.494876041336497, 0.0], [0.0, 0.0, 4.956280679763659]])
forces =  [[-2.78355564e-32  6.68829109e-12  3.27271229e-10]
 [-2.78355564e-32 -6.68829109e-12  3.27271229e-10]
 [ 4.53668913e-48  6.68829109e-12 -3.27271229e-10]
 [-2.78355564e-32 -6.68829109e-12 -3.27271229e-10]
 [-2.43561118e-32  6.68829109e-12  3.27271229e-10]
 [-5.56711128e-32 -6.68829109e-12  3.27271229e-10]
 [-1.39177782e-32  6.68829109e-12 -3.27271229e-10]
 [-2.78355564e-32 -6.68829109e-12 -3.27271229e-10]]
stress =  [2.77207152e-11 1.09040575e-10 9.09874895e-13 0.00000000e+00
 0.00000000e+00 9.10304252e-35]
energy per atom =  -2.5926764457068074
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0