element(s):
['As']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8177737', '2.8261163', '0.2734269']
model name:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['As']
representative atom coordinates =  [[0.        0.        0.7734269]]
spacegroup =  166
cell =  [[3.8178, 0, 0], [-1.9089, 3.3063117865682, 0], [0, 0, 10.7895]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:00:55      -16.934998         1.573054
BFGS:    1 16:00:55      -17.026369         1.486839
BFGS:    2 16:00:55      -17.179165         1.272674
BFGS:    3 16:00:55      -17.298034         1.051931
BFGS:    4 16:00:55      -17.401230         1.113595
BFGS:    5 16:00:55      -17.494700         1.153265
BFGS:    6 16:00:55      -17.578732         1.112878
BFGS:    7 16:00:55      -17.650765         0.990245
BFGS:    8 16:00:55      -17.703618         0.767090
BFGS:    9 16:00:55      -17.723619         0.424707
BFGS:   10 16:00:56      -17.729396         0.323560
BFGS:   11 16:00:56      -17.734085         0.224151
BFGS:   12 16:00:56      -17.738852         0.223281
BFGS:   13 16:00:56      -17.750685         0.315701
BFGS:   14 16:00:56      -17.761467         0.342529
BFGS:   15 16:00:56      -17.771832         0.318641
BFGS:   16 16:00:56      -17.781415         0.238131
BFGS:   17 16:00:56      -17.787985         0.084901
BFGS:   18 16:00:56      -17.788849         0.016969
BFGS:   19 16:00:56      -17.788905         0.001404
BFGS:   20 16:00:56      -17.788905         0.000240
BFGS:   21 16:00:56      -17.788905         0.000003
BFGS:   22 16:00:56      -17.788905         0.000000
BFGS:   23 16:00:56      -17.788905         0.000000
Minimization converged after 23 steps.
Maximum force component: 6.488138160830475e-11 eV/Angstrom
Maximum stress component: 1.2144164086226728e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As', 'As', 'As', 'As', 'As', 'As']
basis =  [[0.         0.         0.767799  ]
 [0.         0.         0.232201  ]
 [0.66666667 0.33333333 0.10113233]
 [0.66666667 0.33333333 0.56553434]
 [0.33333333 0.66666667 0.43446566]
 [0.33333333 0.66666667 0.89886767]]
cellpar =  Cell([[3.5877480450536563, -2.345550268900248e-17, -5.861350030231237e-30], [-1.7938740225268281, 3.107080949394422, -1.1678642803836148e-29], [-1.6810386873564658e-29, -4.6153761067958943e-29, 9.94515730630258]])
forces =  [[-1.57235232e-31  3.40424266e-32 -6.48813816e-11]
 [-9.82720199e-32  1.70212131e-31  6.48813816e-11]
 [-3.34124867e-31  3.06381837e-31 -6.48813816e-11]
 [ 3.93088078e-32 -6.80848528e-32  6.48813816e-11]
 [-2.35852847e-31  1.36169705e-31 -6.48813816e-11]
 [-9.82720199e-32  2.04254557e-31  6.48813816e-11]]
stress =  [1.01683004e-12 1.01683004e-12 1.21441641e-12 3.54571762e-34
 6.14135816e-34 2.53874378e-29]
energy per atom =  -2.9648175393294736
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0