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 16:48:22      -16.934998         1.573054
BFGS:    1 16:48:22      -17.026369         1.486839
BFGS:    2 16:48:22      -17.179165         1.272674
BFGS:    3 16:48:22      -17.298034         1.051931
BFGS:    4 16:48:22      -17.401230         1.113595
BFGS:    5 16:48:22      -17.494700         1.153265
BFGS:    6 16:48:22      -17.578732         1.112878
BFGS:    7 16:48:22      -17.650765         0.990245
BFGS:    8 16:48:22      -17.703618         0.767090
BFGS:    9 16:48:22      -17.723619         0.424707
BFGS:   10 16:48:22      -17.729396         0.323560
BFGS:   11 16:48:22      -17.734085         0.224151
BFGS:   12 16:48:22      -17.738852         0.223281
BFGS:   13 16:48:22      -17.750685         0.315701
BFGS:   14 16:48:22      -17.761467         0.342529
BFGS:   15 16:48:22      -17.771832         0.318641
BFGS:   16 16:48:22      -17.781415         0.238131
BFGS:   17 16:48:22      -17.787985         0.084901
BFGS:   18 16:48:22      -17.788849         0.016969
BFGS:   19 16:48:22      -17.788905         0.001404
BFGS:   20 16:48:22      -17.788905         0.000240
BFGS:   21 16:48:22      -17.788905         0.000003
BFGS:   22 16:48:22      -17.788905         0.000000
BFGS:   23 16:48:22      -17.788905         0.000000
Minimization converged after 23 steps.
Maximum force component: 6.489096847529137e-11 eV/Angstrom
Maximum stress component: 1.2141116648770995e-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([[3.587748045053657, -2.030251045311073e-17, -5.8613802574513735e-30], [-1.7938740225268286, 3.107080949394423, -1.1678703695322018e-29], [-1.6810478560685426e-29, -4.6154020154246674e-29, 9.945157306302582]])
forces =  [[ 5.11014503e-31  6.80848528e-32 -6.48909685e-11]
 [ 1.96544040e-31  2.04254557e-31  6.48909685e-11]
 [ 6.68249735e-31 -6.80848522e-32 -6.48909685e-11]
 [-1.09686371e-40  1.36169705e-31  6.48909685e-11]
 [ 6.28940927e-31  3.01149488e-40 -6.48909685e-11]
 [ 1.57235232e-31  2.72339410e-31  6.48909685e-11]]
stress =  [1.01739514e-12 1.01739514e-12 1.21411166e-12 3.53619068e-40
 1.22587320e-40 1.62383598e-28]
energy per atom =  -2.964817539329472
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0