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_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== 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 17:20:35      -35.948828        0.4513
BFGS:    1 17:20:35      -35.967034        0.2326
BFGS:    2 17:20:35      -35.975154        0.1916
BFGS:    3 17:20:35      -35.976352        0.1857
BFGS:    4 17:20:35      -35.985498        0.1423
BFGS:    5 17:20:35      -35.988028        0.1404
BFGS:    6 17:20:36      -35.988816        0.1152
BFGS:    7 17:20:36      -35.989088        0.0984
BFGS:    8 17:20:36      -35.989734        0.0575
BFGS:    9 17:20:36      -35.990410        0.0525
BFGS:   10 17:20:36      -35.990854        0.0293
BFGS:   11 17:20:36      -35.990949        0.0069
BFGS:   12 17:20:36      -35.990956        0.0010
BFGS:   13 17:20:36      -35.990956        0.0001
BFGS:   14 17:20:36      -35.990956        0.0000
BFGS:   15 17:20:36      -35.990956        0.0000
BFGS:   16 17:20:36      -35.990956        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.838210641354583e-10 eV/Angstrom
Maximum stress component: 1.1137446089833594e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.19123112e-01 8.19123112e-01 5.94705681e-34]
 [1.80876888e-01 1.80876888e-01 4.95588068e-35]
 [1.80876888e-01 8.19123112e-01 3.96470454e-34]
 [8.19123112e-01 1.80876888e-01 4.95588068e-35]
 [3.19123112e-01 3.19123112e-01 5.00000000e-01]
 [6.80876888e-01 6.80876888e-01 5.00000000e-01]
 [6.80876888e-01 3.19123112e-01 5.00000000e-01]
 [3.19123112e-01 6.80876888e-01 5.00000000e-01]]
cellpar =  Cell([[6.620184870914253, 5.531536868936046e-36, 6.311591778434202e-36], [6.809485476772669e-36, 6.6201848709142554, 7.755497320162628e-18], [-1.402280751095864e-33, 4.481271107655673e-18, 3.8861507583444572]])
forces =  [[ 1.83821064e-10  1.83821064e-10  2.15392909e-28]
 [-1.83821064e-10 -1.83821064e-10 -2.15345009e-28]
 [-1.83821064e-10  1.83821064e-10  2.15321059e-28]
 [ 1.83821064e-10 -1.83821064e-10 -2.15428835e-28]
 [ 1.83821064e-10  1.83821064e-10  2.15345009e-28]
 [-1.83821064e-10 -1.83821064e-10 -2.15345009e-28]
 [-1.83821064e-10  1.83821064e-10  2.15368959e-28]
 [ 1.83821064e-10 -1.83821064e-10 -2.15368959e-28]]
stress =  [ 1.11374461e-10  1.11374461e-10 -1.49543827e-11 -1.31032884e-26
 -9.58209988e-34  2.75213634e-49]
energy per atom =  -4.498869492762806
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0