element(s):
['Ga']
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:
['2.7854', '2.9018453', '1.1948374', '0.13408348']
model name:
Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.13408348 0.25      ]]
spacegroup =  63
cell =  [[2.7854, 0, 0], [0, 8.0828, 0], [0, 0, 3.3281]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:47:32      -10.510802         1.319665
BFGS:    1 16:47:32      -10.540942         1.296952
BFGS:    2 16:47:33      -10.611770         1.195942
BFGS:    3 16:47:33      -10.669372         1.028424
BFGS:    4 16:47:33      -10.712789         0.794939
BFGS:    5 16:47:33      -10.742054         0.549195
BFGS:    6 16:47:33      -10.759769         0.753445
BFGS:    7 16:47:33      -10.773391         0.838268
BFGS:    8 16:47:33      -10.802890         0.863046
BFGS:    9 16:47:33      -10.834384         0.775587
BFGS:   10 16:47:33      -10.862341         0.627228
BFGS:   11 16:47:33      -10.885551         0.461718
BFGS:   12 16:47:33      -10.902268         0.313397
BFGS:   13 16:47:33      -10.915230         0.309774
BFGS:   14 16:47:33      -10.926308         0.264569
BFGS:   15 16:47:33      -10.936172         0.268040
BFGS:   16 16:47:33      -10.943383         0.333767
BFGS:   17 16:47:33      -10.950825         0.374762
BFGS:   18 16:47:33      -10.958519         0.377148
BFGS:   19 16:47:33      -10.965677         0.328590
BFGS:   20 16:47:33      -10.971546         0.239057
BFGS:   21 16:47:33      -10.976017         0.142595
BFGS:   22 16:47:33      -10.979177         0.074175
BFGS:   23 16:47:33      -10.980394         0.037147
BFGS:   24 16:47:33      -10.980636         0.010828
BFGS:   25 16:47:33      -10.980664         0.003005
BFGS:   26 16:47:33      -10.980665         0.000452
BFGS:   27 16:47:34      -10.980665         0.000039
BFGS:   28 16:47:34      -10.980665         0.000004
BFGS:   29 16:47:34      -10.980665         0.000000
BFGS:   30 16:47:34      -10.980665         0.000000
Minimization converged after 30 steps.
Maximum force component: 8.623896513570985e-09 eV/Angstrom
Maximum stress component: 2.1914071179490052e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.00000000e+00 1.31556478e-01 2.50000000e-01]
 [6.02061459e-36 8.68443522e-01 7.50000000e-01]
 [5.00000000e-01 6.31556478e-01 2.50000000e-01]
 [5.00000000e-01 3.68443522e-01 7.50000000e-01]]
cellpar =  Cell([[2.768471764334161, -5.0070705425521314e-36, 0.0], [-2.9753411680412244e-35, 9.157391888375264, 0.0], [0.0, 0.0, 2.876577363284789]])
forces =  [[ 2.80200243e-44 -8.62389651e-09 -7.09131070e-32]
 [ 4.26550614e-33  8.62389651e-09  3.54565535e-32]
 [ 2.80200243e-44 -8.62389651e-09 -8.86413837e-32]
 [-2.80200243e-44  8.62389651e-09  3.54565535e-32]]
stress =  [ 2.19140712e-10  1.92849355e-10 -8.95254012e-11  0.00000000e+00
  0.00000000e+00 -9.72385685e-34]
energy per atom =  -2.7451662742371568
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0