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 20:00:55      -10.995707         1.455771
BFGS:    1 20:00:55      -11.063977         1.381375
BFGS:    2 20:00:55      -11.204231         1.180080
BFGS:    3 20:00:55      -11.312816         0.943061
BFGS:    4 20:00:55      -11.389515         0.644841
BFGS:    5 20:00:55      -11.432002         0.404308
BFGS:    6 20:00:55      -11.448136         0.394333
BFGS:    7 20:00:56      -11.457788         0.248073
BFGS:    8 20:00:56      -11.463434         0.046679
BFGS:    9 20:00:56      -11.463701         0.004413
BFGS:   10 20:00:56      -11.463704         0.000280
BFGS:   11 20:00:56      -11.463704         0.000026
BFGS:   12 20:00:56      -11.463704         0.000001
BFGS:   13 20:00:56      -11.463704         0.000000
BFGS:   14 20:00:56      -11.463704         0.000000
Minimization converged after 14 steps.
Maximum force component: 6.276541899066797e-10 eV/Angstrom
Maximum stress component: 4.092971625435706e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As', 'As', 'As', 'As']
basis =  [[0.00000000e+00 0.00000000e+00 8.91453315e-01]
 [7.84854849e-37 5.97105099e-34 1.08546685e-01]
 [5.00000000e-01 5.00000000e-01 3.91453315e-01]
 [5.00000000e-01 5.00000000e-01 6.08546685e-01]]
cellpar =  Cell([[2.5803563848051057, 1.9716016999784244e-36, -1.7745517701357971e-32], [-6.619385339383834e-36, 2.580356384805105, -1.644909191609129e-17], [8.961648635230268e-33, -6.811344693023062e-17, 11.335095469863873]])
forces =  [[ 7.95133701e-33 -3.77163745e-27  6.27654190e-10]
 [ 6.95741988e-33  3.77161360e-27 -6.27654190e-10]
 [ 7.95133701e-33 -3.77162354e-27  6.27654190e-10]
 [-4.96230167e-43  3.77161608e-27 -6.27654190e-10]]
stress =  [ 3.92893815e-11  3.92893815e-11  4.09297163e-11 -7.96641259e-26
 -1.68568172e-33  3.10130207e-48]
energy per atom =  -2.8659260407702205
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0