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:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== 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 16:50:44      -22.506383         0.444700
BFGS:    1 16:50:44      -22.525281         0.420522
BFGS:    2 16:50:45      -22.586637         0.248465
BFGS:    3 16:50:45      -22.589525         0.241318
BFGS:    4 16:50:45      -22.604794         0.222997
BFGS:    5 16:50:45      -22.618328         0.187530
BFGS:    6 16:50:45      -22.630695         0.161470
BFGS:    7 16:50:45      -22.635603         0.135221
BFGS:    8 16:50:45      -22.638201         0.119240
BFGS:    9 16:50:45      -22.642440         0.101947
BFGS:   10 16:50:45      -22.647978         0.090535
BFGS:   11 16:50:45      -22.651756         0.095120
BFGS:   12 16:50:45      -22.653107         0.105415
BFGS:   13 16:50:45      -22.653718         0.109837
BFGS:   14 16:50:45      -22.654671         0.109133
BFGS:   15 16:50:45      -22.656571         0.095044
BFGS:   16 16:50:45      -22.659207         0.070344
BFGS:   17 16:50:45      -22.661219         0.035781
BFGS:   18 16:50:45      -22.661843         0.016704
BFGS:   19 16:50:45      -22.661904         0.013589
BFGS:   20 16:50:45      -22.661912         0.012803
BFGS:   21 16:50:45      -22.661925         0.011477
BFGS:   22 16:50:45      -22.661952         0.008772
BFGS:   23 16:50:46      -22.661997         0.005582
BFGS:   24 16:50:46      -22.662040         0.003752
BFGS:   25 16:50:46      -22.662058         0.001492
BFGS:   26 16:50:46      -22.662060         0.000323
BFGS:   27 16:50:46      -22.662060         0.000032
BFGS:   28 16:50:46      -22.662060         0.000001
BFGS:   29 16:50:46      -22.662060         0.000000
BFGS:   30 16:50:46      -22.662060         0.000000
Minimization converged after 30 steps.
Maximum force component: 4.484231406337582e-10 eV/Angstrom
Maximum stress component: 6.739330706610346e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.38101809e-33 8.38668723e-01 8.98451569e-02]
 [0.00000000e+00 6.61331277e-01 5.89845157e-01]
 [4.95500349e-34 3.38668723e-01 4.10154843e-01]
 [0.00000000e+00 1.61331277e-01 9.10154843e-01]
 [5.00000000e-01 3.38668723e-01 8.98451569e-02]
 [5.00000000e-01 1.61331277e-01 5.89845157e-01]
 [5.00000000e-01 8.38668723e-01 4.10154843e-01]
 [5.00000000e-01 6.61331277e-01 9.10154843e-01]]
cellpar =  Cell([[4.411343197217314, 2.4014467688114384e-37, 0.0], [5.712776702840459e-36, 7.403749906156222, 0.0], [0.0, 0.0, 4.702833607610531]])
forces =  [[ 1.08748006e-31  1.88143082e-10 -4.48423141e-10]
 [ 1.08748006e-31 -1.88143082e-10 -4.48423141e-10]
 [-8.15610044e-32  1.88143082e-10  4.48423141e-10]
 [-8.15610044e-32 -1.88143082e-10  4.48423141e-10]
 [ 8.15610044e-32  1.88143082e-10 -4.48423141e-10]
 [ 1.49528508e-31 -1.88143082e-10 -4.48423141e-10]
 [-1.08748006e-31  1.88143082e-10  4.48423141e-10]
 [-1.08748006e-31 -1.88143082e-10  4.48423141e-10]]
stress =  [ 2.48786972e-11  6.73933071e-11  3.25435251e-11  0.00000000e+00
  0.00000000e+00 -1.50958602e-33]
energy per atom =  -2.8327575272988033
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0