element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP3_123_h_a
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4116', '2.3361254', '0.80662489']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.5        0.5        0.80662489]
 [0.         0.         0.        ]]
spacegroup =  123
cell =  [[2.4116, 0, 0], [0, 2.4116, 0], [0, 0, 5.6338]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:42:24       -8.558638        4.4625
BFGS:    1 15:42:24       -8.954333        3.4749
BFGS:    2 15:42:24       -9.264574        2.5219
BFGS:    3 15:42:24       -9.542016        2.2705
BFGS:    4 15:42:24       -9.798998        2.6131
BFGS:    5 15:42:24       -9.948745        4.0507
BFGS:    6 15:42:25       -9.986129        4.5987
BFGS:    7 15:42:25      -10.001625        5.2794
BFGS:    8 15:42:25      -10.003466        5.2422
BFGS:    9 15:42:25      -10.054639        4.6125
BFGS:   10 15:42:25      -10.104342        4.2382
BFGS:   11 15:42:25      -10.157659        3.9343
BFGS:   12 15:42:25      -10.213301        3.3459
BFGS:   13 15:42:25      -10.244169        0.5909
BFGS:   14 15:42:25      -10.247382        0.4882
BFGS:   15 15:42:25      -10.252057        0.0599
BFGS:   16 15:42:25      -10.252068        0.0089
BFGS:   17 15:42:25      -10.252068        0.0000
BFGS:   18 15:42:25      -10.252068        0.0000
BFGS:   19 15:42:25      -10.252068        0.0000
Minimization converged after 19 steps.
Maximum force component: 5.043725992415206e-10 eV/Angstrom
Maximum stress component: 2.402953676940544e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'Si']
basis =  [[0.5        0.5        0.83512278]
 [0.5        0.5        0.16487722]
 [0.         0.         0.        ]]
cellpar =  Cell([[2.630866975383851, 4.4842936046656865e-34, -6.948882719351619e-33], [5.621068128482943e-34, 2.630866975383852, -1.122776194117543e-17], [-5.08463083220985e-32, -9.211721924573e-18, 5.987665887430801]])
forces =  [[ 2.59423513e-31 -7.76016657e-28  5.04372599e-10]
 [ 1.29711756e-31  7.76016657e-28 -5.04372599e-10]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [9.42937158e-13 9.42937158e-13 2.40295368e-11 5.92107439e-27
 1.56492672e-33 3.95423892e-49]
energy per atom =  -3.417355933478683
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0