element(s):
['O']
AFLOW prototype label:
A_oP24_61_3c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.9345', '1.0954503', '1.1286034', '0.96397784', '0.54903628', '0.82432575', '0.85504968', '0.66977468', '0.88726476', '0.74875817', '0.62965334', '0.015772569']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O']
representative atom coordinates =  [[0.96397784 0.54903628 0.82432575]
 [0.85504968 0.66977468 0.88726476]
 [0.74875817 0.62965334 0.01577257]]
spacegroup =  61
cell =  [[6.9345, 0, 0], [0, 7.5964, 0], [0, 0, 7.8263]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:02:29      -19.929522       13.6326
BFGS:    1 17:02:29      -29.956433        8.3259
BFGS:    2 17:02:29      -35.426533        5.5118
BFGS:    3 17:02:29      -38.867475        3.6092
BFGS:    4 17:02:29      -41.223761        2.2775
BFGS:    5 17:02:29      -42.798288        1.2184
BFGS:    6 17:02:29      -43.695654        0.9787
BFGS:    7 17:02:29      -44.012332        0.8091
BFGS:    8 17:02:29      -44.088766        0.6659
BFGS:    9 17:02:29      -44.212049        0.3960
BFGS:   10 17:02:29      -44.264837        0.1452
BFGS:   11 17:02:29      -44.271068        0.0163
BFGS:   12 17:02:29      -44.271168        0.0034
BFGS:   13 17:02:29      -44.271193        0.0021
BFGS:   14 17:02:29      -44.271197        0.0005
BFGS:   15 17:02:29      -44.271198        0.0000
BFGS:   16 17:02:29      -44.271198        0.0000
BFGS:   17 17:02:29      -44.271198        0.0000
BFGS:   18 17:02:29      -44.271198        0.0000
BFGS:   19 17:02:29      -44.271198        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.8432813979275032e-09 eV/Angstrom
Maximum stress component: 6.745643107455124e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']
basis =  [[0.99649438 0.54679856 0.79114728]
 [0.50350562 0.45320144 0.29114728]
 [0.00350562 0.04679856 0.70885272]
 [0.49649438 0.95320144 0.20885272]
 [0.00350562 0.45320144 0.20885272]
 [0.49649438 0.54679856 0.70885272]
 [0.99649438 0.95320144 0.29114728]
 [0.50350562 0.04679856 0.79114728]
 [0.85539604 0.64985723 0.89543163]
 [0.64460396 0.35014277 0.39543163]
 [0.14460396 0.14985723 0.60456837]
 [0.35539604 0.85014277 0.10456837]
 [0.14460396 0.35014277 0.10456837]
 [0.35539604 0.64985723 0.60456837]
 [0.85539604 0.85014277 0.39543163]
 [0.64460396 0.14985723 0.89543163]
 [0.71589526 0.65180851 0.04078417]
 [0.78410474 0.34819149 0.54078417]
 [0.28410474 0.15180851 0.45921583]
 [0.21589526 0.84819149 0.95921583]
 [0.28410474 0.34819149 0.95921583]
 [0.21589526 0.65180851 0.45921583]
 [0.71589526 0.84819149 0.54078417]
 [0.78410474 0.15180851 0.04078417]]
cellpar =  Cell([[6.970637874572875, 3.7575076236806474e-35, 0.0], [-5.888695287194014e-35, 7.5958355961602715, 0.0], [0.0, 0.0, 7.866147412760229]])
forces =  [[ 1.76176695e-09 -8.48054624e-10 -1.71198604e-09]
 [-1.76176695e-09  8.48054624e-10 -1.71198604e-09]
 [-1.76176695e-09 -8.48054624e-10  1.71198604e-09]
 [ 1.76176695e-09  8.48054624e-10  1.71198604e-09]
 [-1.76176695e-09  8.48054624e-10  1.71198604e-09]
 [ 1.76176695e-09 -8.48054624e-10  1.71198604e-09]
 [ 1.76176695e-09  8.48054624e-10 -1.71198604e-09]
 [-1.76176695e-09 -8.48054624e-10 -1.71198604e-09]
 [ 1.45999983e-11  2.60474042e-10 -1.31295037e-10]
 [-1.45999983e-11 -2.60474042e-10 -1.31295037e-10]
 [-1.45999983e-11  2.60474042e-10  1.31295037e-10]
 [ 1.45999983e-11 -2.60474042e-10  1.31295037e-10]
 [-1.45999983e-11 -2.60474042e-10  1.31295037e-10]
 [ 1.45999983e-11  2.60474042e-10  1.31295037e-10]
 [ 1.45999983e-11 -2.60474042e-10 -1.31295037e-10]
 [-1.45999983e-11  2.60474042e-10 -1.31295037e-10]
 [-1.77636657e-09  5.87580519e-10  1.84328140e-09]
 [ 1.77636657e-09 -5.87580519e-10  1.84328140e-09]
 [ 1.77636657e-09  5.87580519e-10 -1.84328140e-09]
 [-1.77636657e-09 -5.87580519e-10 -1.84328140e-09]
 [ 1.77636657e-09 -5.87580519e-10 -1.84328140e-09]
 [-1.77636657e-09  5.87580519e-10 -1.84328140e-09]
 [-1.77636657e-09 -5.87580519e-10  1.84328140e-09]
 [ 1.77636657e-09  5.87580519e-10  1.84328140e-09]]
stress =  [-6.64618981e-11 -1.29188461e-11 -6.74564311e-11  0.00000000e+00
  0.00000000e+00  1.86235457e-33]
energy per atom =  -1.8446332326085642
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0