element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
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:
['6.6881', '0.57703982', '0.8213634']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:21:29      -35.954408        0.4512
BFGS:    1 17:21:29      -35.972616        0.2325
BFGS:    2 17:21:29      -35.980750        0.1922
BFGS:    3 17:21:29      -35.981954        0.1862
BFGS:    4 17:21:29      -35.991120        0.1423
BFGS:    5 17:21:29      -35.993654        0.1406
BFGS:    6 17:21:29      -35.994444        0.1154
BFGS:    7 17:21:29      -35.994717        0.0987
BFGS:    8 17:21:29      -35.995366        0.0577
BFGS:    9 17:21:29      -35.996046        0.0527
BFGS:   10 17:21:29      -35.996494        0.0294
BFGS:   11 17:21:29      -35.996589        0.0069
BFGS:   12 17:21:29      -35.996597        0.0010
BFGS:   13 17:21:29      -35.996597        0.0001
BFGS:   14 17:21:29      -35.996597        0.0000
BFGS:   15 17:21:29      -35.996597        0.0000
BFGS:   16 17:21:29      -35.996597        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.871712246121181e-10 eV/Angstrom
Maximum stress component: 1.1229731248236952e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.19123130e-01 8.19123130e-01 0.00000000e+00]
 [1.80876870e-01 1.80876870e-01 4.95598085e-35]
 [1.80876870e-01 8.19123130e-01 0.00000000e+00]
 [8.19123130e-01 1.80876870e-01 4.95598085e-35]
 [3.19123130e-01 3.19123130e-01 5.00000000e-01]
 [6.80876870e-01 6.80876870e-01 5.00000000e-01]
 [6.80876870e-01 3.19123130e-01 5.00000000e-01]
 [3.19123130e-01 6.80876870e-01 5.00000000e-01]]
cellpar =  Cell([[6.62005110188606, 3.6931071938539104e-36, -2.576698062743487e-32], [2.0078324788717723e-36, 6.620051101886059, -4.963638953562682e-18], [-2.1339793969657094e-32, -2.8639971985040816e-18, 3.886072211195234]])
forces =  [[ 1.87171225e-10  1.87171225e-10 -1.40338853e-28]
 [-1.87171225e-10 -1.87171225e-10  1.40434653e-28]
 [-1.87171225e-10  1.87171225e-10 -1.40434653e-28]
 [ 1.87171225e-10 -1.87171225e-10  1.40338853e-28]
 [ 1.87171225e-10  1.87171225e-10 -1.40338853e-28]
 [-1.87171225e-10 -1.87171225e-10  1.40386753e-28]
 [-1.87171225e-10  1.87171225e-10 -1.40434653e-28]
 [ 1.87171225e-10 -1.87171225e-10  1.40338853e-28]]
stress =  [ 1.12297312e-10  1.12297312e-10 -1.47059738e-11  3.72653713e-27
  9.58248719e-34  8.78723595e-50]
energy per atom =  -4.499574600061197
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0