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 16:40:59      -22.506383        0.4447
BFGS:    1 16:40:59      -22.525281        0.4205
BFGS:    2 16:40:59      -22.586637        0.2485
BFGS:    3 16:40:59      -22.589525        0.2413
BFGS:    4 16:40:59      -22.604794        0.2230
BFGS:    5 16:40:59      -22.618328        0.1875
BFGS:    6 16:40:59      -22.630695        0.1615
BFGS:    7 16:40:59      -22.635603        0.1352
BFGS:    8 16:40:59      -22.638201        0.1192
BFGS:    9 16:40:59      -22.642440        0.1019
BFGS:   10 16:40:59      -22.647978        0.0905
BFGS:   11 16:40:59      -22.651756        0.0951
BFGS:   12 16:40:59      -22.653107        0.1054
BFGS:   13 16:40:59      -22.653718        0.1098
BFGS:   14 16:40:59      -22.654671        0.1091
BFGS:   15 16:40:59      -22.656571        0.0950
BFGS:   16 16:40:59      -22.659207        0.0703
BFGS:   17 16:40:59      -22.661219        0.0358
BFGS:   18 16:40:59      -22.661843        0.0167
BFGS:   19 16:40:59      -22.661904        0.0136
BFGS:   20 16:40:59      -22.661912        0.0128
BFGS:   21 16:40:59      -22.661925        0.0115
BFGS:   22 16:40:59      -22.661952        0.0088
BFGS:   23 16:40:59      -22.661997        0.0056
BFGS:   24 16:40:59      -22.662040        0.0038
BFGS:   25 16:40:59      -22.662058        0.0015
BFGS:   26 16:40:59      -22.662060        0.0003
BFGS:   27 16:40:59      -22.662060        0.0000
BFGS:   28 16:40:59      -22.662060        0.0000
BFGS:   29 16:40:59      -22.662060        0.0000
BFGS:   30 16:40:59      -22.662060        0.0000
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