element(s):
['As', 'Ga']
AFLOW prototype label:
AB_cP16_205_c_c
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.0281', '0.14318501', '0.34443472']
model name:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['As', 'Ga']
representative atom coordinates =  [[0.14318501 0.14318501 0.14318501]
 [0.34443472 0.34443472 0.34443472]]
spacegroup =  205
cell =  [[7.0281, 0, 0], [0, 7.0281, 0], [0, 0, 7.0281]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:58:15      -50.942666         0.675280
BFGS:    1 16:58:15      -50.995408         0.651301
BFGS:    2 16:58:15      -51.184217         0.527292
BFGS:    3 16:58:15      -51.284387         0.532824
BFGS:    4 16:58:15      -51.333986         0.327412
BFGS:    5 16:58:15      -51.354231         0.221129
BFGS:    6 16:58:15      -51.366981         0.218569
BFGS:    7 16:58:15      -51.374329         0.210223
BFGS:    8 16:58:16      -51.400097         0.281570
BFGS:    9 16:58:16      -51.419766         0.233001
BFGS:   10 16:58:16      -51.430279         0.091091
BFGS:   11 16:58:16      -51.431941         0.013022
BFGS:   12 16:58:16      -51.432019         0.000665
BFGS:   13 16:58:16      -51.432020         0.000105
BFGS:   14 16:58:16      -51.432020         0.000002
BFGS:   15 16:58:16      -51.432020         0.000000
BFGS:   16 16:58:16      -51.432020         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.2738906489798893e-10 eV/Angstrom
Maximum stress component: 5.945527167841474e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.14137417 0.14137417 0.14137417]
 [0.35862583 0.85862583 0.64137417]
 [0.85862583 0.64137417 0.35862583]
 [0.64137417 0.35862583 0.85862583]
 [0.85862583 0.85862583 0.85862583]
 [0.64137417 0.14137417 0.35862583]
 [0.14137417 0.35862583 0.64137417]
 [0.35862583 0.64137417 0.14137417]
 [0.33982416 0.33982416 0.33982416]
 [0.16017584 0.66017584 0.83982416]
 [0.66017584 0.83982416 0.16017584]
 [0.83982416 0.16017584 0.66017584]
 [0.66017584 0.66017584 0.66017584]
 [0.83982416 0.33982416 0.16017584]
 [0.33982416 0.16017584 0.83982416]
 [0.16017584 0.83982416 0.33982416]]
cellpar =  Cell([[6.895243807873581, -1.5682785977364776e-36, 0.0], [-2.9014978760179203e-36, 6.895243807873581, 0.0], [0.0, 0.0, 6.895243807873581]])
forces =  [[-2.27389065e-10 -2.27389065e-10 -2.27389065e-10]
 [ 2.27389065e-10  2.27389065e-10 -2.27389065e-10]
 [ 2.27389065e-10 -2.27389065e-10  2.27389065e-10]
 [-2.27389065e-10  2.27389065e-10  2.27389065e-10]
 [ 2.27389065e-10  2.27389065e-10  2.27389065e-10]
 [-2.27389065e-10 -2.27389065e-10  2.27389065e-10]
 [-2.27389065e-10  2.27389065e-10 -2.27389065e-10]
 [ 2.27389065e-10 -2.27389065e-10 -2.27389065e-10]
 [ 1.78591675e-10  1.78591675e-10  1.78591675e-10]
 [-1.78591675e-10 -1.78591675e-10  1.78591675e-10]
 [-1.78591675e-10  1.78591675e-10 -1.78591675e-10]
 [ 1.78591675e-10 -1.78591675e-10 -1.78591675e-10]
 [-1.78591675e-10 -1.78591675e-10 -1.78591675e-10]
 [ 1.78591675e-10  1.78591675e-10 -1.78591675e-10]
 [ 1.78591675e-10 -1.78591675e-10  1.78591675e-10]
 [-1.78591675e-10  1.78591675e-10  1.78591675e-10]]
stress =  [5.94552717e-12 5.94552717e-12 5.94552717e-12 0.00000000e+00
 0.00000000e+00 5.53069775e-33]
energy per atom =  -3.214501237125464
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0