element(s):
['As']
AFLOW prototype label:
A_tI4_139_e
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7658', '4.1138911', '0.89042163']
model name:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['As']
representative atom coordinates =  [[0.         0.         0.89042163]]
spacegroup =  139
cell =  [[2.7658, 0, 0], [0, 2.7658, 0], [0, 0, 11.3782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:21:11      -10.995707         1.455771
BFGS:    1 16:21:11      -11.063977         1.381375
BFGS:    2 16:21:11      -11.204231         1.180080
BFGS:    3 16:21:11      -11.312816         0.943061
BFGS:    4 16:21:11      -11.389515         0.644841
BFGS:    5 16:21:11      -11.432002         0.404308
BFGS:    6 16:21:11      -11.448136         0.394333
BFGS:    7 16:21:11      -11.457788         0.248073
BFGS:    8 16:21:11      -11.463434         0.046679
BFGS:    9 16:21:11      -11.463701         0.004413
BFGS:   10 16:21:11      -11.463704         0.000280
BFGS:   11 16:21:11      -11.463704         0.000026
BFGS:   12 16:21:11      -11.463704         0.000001
BFGS:   13 16:21:11      -11.463704         0.000000
BFGS:   14 16:21:11      -11.463704         0.000000
Minimization converged after 14 steps.
Maximum force component: 6.276390583474792e-10 eV/Angstrom
Maximum stress component: 4.0928586492566305e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As', 'As', 'As', 'As']
basis =  [[2.98580157e-36 0.00000000e+00 8.91453315e-01]
 [2.98140494e-36 2.98552550e-34 1.08546685e-01]
 [5.00000000e-01 5.00000000e-01 3.91453315e-01]
 [5.00000000e-01 5.00000000e-01 6.08546685e-01]]
cellpar =  Cell([[2.580356384805104, -7.546286241368196e-36, -8.666734832172796e-33], [2.153866662998359e-36, 2.580356384805104, -3.82656573730193e-18], [1.4713003252399696e-32, -1.9884824672896218e-17, 11.335095469863878]])
forces =  [[ 8.14678229e-43 -1.10104676e-27  6.27639058e-10]
 [-4.96958564e-34  1.10104775e-27 -6.27639058e-10]
 [ 8.14678229e-43 -1.10104874e-27  6.27639058e-10]
 [-9.93917127e-34  1.10104874e-27 -6.27639058e-10]]
stress =  [ 3.92883802e-11  3.92883802e-11  4.09285865e-11 -9.08797182e-27
  8.42840859e-34 -1.87148266e-49]
energy per atom =  -2.865926040770222
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0