element(s):
['As', 'Ga']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0406', '1.6485423', '0.37393522', '6.478279e-05']
model name:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['As', 'Ga']
representative atom coordinates =  [[3.3333333e-01 6.6666667e-01 3.7393522e-01]
 [3.3333333e-01 6.6666667e-01 6.4782790e-05]]
spacegroup =  186
cell =  [[4.0406, 0, 0], [-2.0203, 3.4992622465314, 0], [0, 0, 6.6611]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:40:18      -13.380832        0.4846
BFGS:    1 15:40:18      -13.387854        0.4387
BFGS:    2 15:40:18      -13.416081        0.0898
BFGS:    3 15:40:18      -13.416872        0.0250
BFGS:    4 15:40:18      -13.416924        0.0275
BFGS:    5 15:40:18      -13.417068        0.0386
BFGS:    6 15:40:18      -13.417142        0.0373
BFGS:    7 15:40:18      -13.417299        0.0256
BFGS:    8 15:40:18      -13.417350        0.0122
BFGS:    9 15:40:18      -13.417359        0.0018
BFGS:   10 15:40:18      -13.417359        0.0001
BFGS:   11 15:40:18      -13.417359        0.0000
BFGS:   12 15:40:18      -13.417359        0.0000
BFGS:   13 15:40:18      -13.417359        0.0000
Minimization converged after 13 steps.
Maximum force component: 4.778312552924935e-09 eV/Angstrom
Maximum stress component: 2.93334697755006e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As', 'As', 'Ga', 'Ga']
basis =  [[0.33333333 0.66666667 0.3745    ]
 [0.66666666 0.33333334 0.8745    ]
 [0.33333333 0.66666667 0.9995    ]
 [0.66666666 0.33333334 0.4995    ]]
cellpar =  Cell([[3.9970865331686114, 9.00169988775261e-18, -8.345061515831162e-38], [-1.9985432665843057, 3.4615784788486885, -7.82626151940052e-37], [-5.016981394484506e-37, -7.557050190724569e-37, 6.527214977446952]])
forces =  [[ 1.31381054e-31 -4.55117322e-31  4.77831023e-09]
 [-6.56905271e-32 -1.13779331e-31  4.77831023e-09]
 [ 3.67273106e-46  5.53221365e-46 -4.77831255e-09]
 [ 3.67273106e-46  5.53221365e-46 -4.77831255e-09]]
stress =  [ 4.78303646e-12  4.78303646e-12 -2.93334698e-11 -1.07351334e-47
 -1.73550274e-48 -1.33276531e-27]
energy per atom =  -3.3543398115732894
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0