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 09:41:18      -22.506383         0.444700
BFGS:    1 09:41:18      -22.525281         0.420522
BFGS:    2 09:41:18      -22.586637         0.248465
BFGS:    3 09:41:18      -22.589525         0.241318
BFGS:    4 09:41:18      -22.604794         0.222997
BFGS:    5 09:41:18      -22.618328         0.187530
BFGS:    6 09:41:18      -22.630695         0.161470
BFGS:    7 09:41:18      -22.635603         0.135221
BFGS:    8 09:41:18      -22.638201         0.119240
BFGS:    9 09:41:18      -22.642440         0.101947
BFGS:   10 09:41:18      -22.647978         0.090535
BFGS:   11 09:41:18      -22.651756         0.095120
BFGS:   12 09:41:18      -22.653107         0.105415
BFGS:   13 09:41:18      -22.653718         0.109837
BFGS:   14 09:41:18      -22.654671         0.109133
BFGS:   15 09:41:18      -22.656571         0.095044
BFGS:   16 09:41:18      -22.659207         0.070344
BFGS:   17 09:41:18      -22.661219         0.035781
BFGS:   18 09:41:18      -22.661843         0.016704
BFGS:   19 09:41:18      -22.661904         0.013589
BFGS:   20 09:41:18      -22.661912         0.012803
BFGS:   21 09:41:19      -22.661925         0.011477
BFGS:   22 09:41:19      -22.661952         0.008772
BFGS:   23 09:41:19      -22.661997         0.005582
BFGS:   24 09:41:19      -22.662040         0.003752
BFGS:   25 09:41:19      -22.662058         0.001492
BFGS:   26 09:41:19      -22.662060         0.000323
BFGS:   27 09:41:19      -22.662060         0.000032
BFGS:   28 09:41:19      -22.662060         0.000001
BFGS:   29 09:41:19      -22.662060         0.000000
BFGS:   30 09:41:19      -22.662060         0.000000
Minimization converged after 30 steps.
Maximum force component: 4.4841610633006295e-10 eV/Angstrom
Maximum stress component: 6.73927064056305e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.00000000e+00 8.38668723e-01 8.98451569e-02]
 [3.90767173e-36 6.61331277e-01 5.89845157e-01]
 [0.00000000e+00 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([[4.411343197217315, -4.2360992665574674e-36, 0.0], [3.258191593697052e-36, 7.403749906156219, 0.0], [0.0, 0.0, 4.7028336076105335]])
forces =  [[ 8.27945389e-47  1.88138126e-10 -4.48416106e-10]
 [ 1.63122009e-31 -1.88138126e-10 -4.48416106e-10]
 [-1.63122009e-31  1.88138126e-10  4.48416106e-10]
 [-1.35935007e-32 -1.88138126e-10  4.48416106e-10]
 [-5.43740029e-32  1.88138126e-10 -4.48416106e-10]
 [ 5.43740029e-32 -1.88138126e-10 -4.48416106e-10]
 [ 1.08748006e-31  1.88138126e-10  4.48416106e-10]
 [ 5.43740029e-32 -1.88138126e-10  4.48416106e-10]]
stress =  [2.48784687e-11 6.73927064e-11 3.25437241e-11 0.00000000e+00
 0.00000000e+00 7.25926333e-47]
energy per atom =  -2.832757527298801
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0