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 16:36:33      -10.510802        1.3197
BFGS:    1 16:36:33      -10.540942        1.2970
BFGS:    2 16:36:33      -10.611770        1.1959
BFGS:    3 16:36:33      -10.669372        1.0284
BFGS:    4 16:36:33      -10.712789        0.7949
BFGS:    5 16:36:33      -10.742054        0.5492
BFGS:    6 16:36:33      -10.759769        0.7534
BFGS:    7 16:36:33      -10.773391        0.8383
BFGS:    8 16:36:33      -10.802890        0.8630
BFGS:    9 16:36:33      -10.834384        0.7756
BFGS:   10 16:36:33      -10.862341        0.6272
BFGS:   11 16:36:33      -10.885551        0.4617
BFGS:   12 16:36:33      -10.902268        0.3134
BFGS:   13 16:36:33      -10.915230        0.3098
BFGS:   14 16:36:33      -10.926308        0.2646
BFGS:   15 16:36:33      -10.936172        0.2680
BFGS:   16 16:36:33      -10.943383        0.3338
BFGS:   17 16:36:33      -10.950825        0.3748
BFGS:   18 16:36:33      -10.958519        0.3771
BFGS:   19 16:36:33      -10.965677        0.3286
BFGS:   20 16:36:33      -10.971546        0.2391
BFGS:   21 16:36:33      -10.976017        0.1426
BFGS:   22 16:36:33      -10.979177        0.0742
BFGS:   23 16:36:33      -10.980394        0.0371
BFGS:   24 16:36:33      -10.980636        0.0108
BFGS:   25 16:36:33      -10.980664        0.0030
BFGS:   26 16:36:34      -10.980665        0.0005
BFGS:   27 16:36:34      -10.980665        0.0000
BFGS:   28 16:36:34      -10.980665        0.0000
BFGS:   29 16:36:34      -10.980665        0.0000
BFGS:   30 16:36:34      -10.980665        0.0000
Minimization converged after 30 steps.
Maximum force component: 8.623902827964438e-09 eV/Angstrom
Maximum stress component: 2.1914056493308555e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.         0.13155648 0.25      ]
 [0.         0.86844352 0.75      ]
 [0.5        0.63155648 0.25      ]
 [0.5        0.36844352 0.75      ]]
cellpar =  Cell([[2.768471764334161, 4.306547181739769e-36, 0.0], [3.16074405358883e-35, 9.15739188837526, 0.0], [0.0, 0.0, 2.876577363284789]])
forces =  [[-2.97660621e-44 -8.62390283e-09  0.00000000e+00]
 [ 2.97660621e-44  8.62390283e-09  0.00000000e+00]
 [-2.97660621e-44 -8.62390283e-09  4.43206919e-33]
 [ 2.97660621e-44  8.62390283e-09  0.00000000e+00]]
stress =  [ 2.19140565e-10  1.92849038e-10 -8.95257167e-11  0.00000000e+00
  0.00000000e+00  6.52641995e-45]
energy per atom =  -2.7451662742371576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0