element(s):
['O', 'Si']
AFLOW prototype label:
A2B_cF24_227_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.4593']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.    0.    0.   ]]
spacegroup =  227
cell =  [[7.4593, 0, 0], [0, 7.4593, 0], [0, 0, 7.4593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:12:47     -156.899040         0.743745
BFGS:    1 17:12:48     -156.922429         0.723819
BFGS:    2 17:12:48     -157.024023         0.631035
BFGS:    3 17:12:48     -157.111820         0.539864
BFGS:    4 17:12:48     -157.186062         0.450284
BFGS:    5 17:12:48     -157.246984         0.362275
BFGS:    6 17:12:48     -157.294821         0.275813
BFGS:    7 17:12:48     -157.329804         0.190879
BFGS:    8 17:12:49     -157.352160         0.107450
BFGS:    9 17:12:49     -157.362114         0.025508
BFGS:   10 17:12:49     -157.362716         0.000300
BFGS:   11 17:12:49     -157.362716         0.000001
BFGS:   12 17:12:50     -157.362716         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.4192420078983504e-30 eV/Angstrom
Maximum stress component: 1.5977492850149444e-12 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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.2500000e-01 1.2500000e-01 1.2500000e-01]
 [8.7500000e-01 3.7500000e-01 6.2500000e-01]
 [3.7500000e-01 6.2500000e-01 8.7500000e-01]
 [6.2500000e-01 8.7500000e-01 3.7500000e-01]
 [3.7500000e-01 8.7500000e-01 6.2500000e-01]
 [8.7500000e-01 6.2500000e-01 3.7500000e-01]
 [6.2500000e-01 3.7500000e-01 8.7500000e-01]
 [1.2500000e-01 6.2500000e-01 6.2500000e-01]
 [8.7500000e-01 8.7500000e-01 1.2500000e-01]
 [3.7500000e-01 1.2500000e-01 3.7500000e-01]
 [3.7500000e-01 3.7500000e-01 1.2500000e-01]
 [8.7500000e-01 1.2500000e-01 8.7500000e-01]
 [6.2500000e-01 1.2500000e-01 6.2500000e-01]
 [1.2500000e-01 8.7500000e-01 8.7500000e-01]
 [1.2500000e-01 3.7500000e-01 3.7500000e-01]
 [6.2500000e-01 6.2500000e-01 1.2500000e-01]
 [1.0000000e+00 4.3638032e-33 1.0000000e+00]
 [1.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 1.0000000e+00]
 [5.0000000e-01 6.2913857e-33 5.0000000e-01]
 [7.5000000e-01 2.5000000e-01 7.5000000e-01]
 [2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [2.5000000e-01 7.5000000e-01 7.5000000e-01]
 [7.5000000e-01 7.5000000e-01 2.5000000e-01]]
cellpar =  Cell([[7.591819181776716, -2.9632902160739572e-33, -1.3753804977209453e-33], [-3.084872317706878e-33, 7.591819181776716, 2.4080671275958772e-17], [-9.597377170286223e-34, 2.4080671275958772e-17, 7.591819181776716]])
forces =  [[ 8.26591499e-31  2.33940990e-31  5.61458377e-31]
 [ 1.15410889e-30  1.55960660e-31 -6.55034773e-31]
 [ 1.40364594e-31  9.04571829e-31 -1.09172462e-30]
 [ 3.74305585e-31  1.24768528e-31  6.23842641e-32]
 [-5.77054443e-31  4.36689849e-31  1.41924201e-30]
 [ 3.11921320e-31  6.23842641e-32 -1.87152792e-31]
 [-3.11921320e-32  6.23842641e-32  4.99074113e-31]
 [ 3.74305585e-31  1.24768528e-31  3.11921320e-31]
 [-5.30266245e-31 -3.43113452e-31  4.99074113e-31]
 [-5.23886127e-65  1.87152792e-31 -1.87152792e-31]
 [-4.36689849e-31 -4.05497717e-31 -3.11921320e-32]
 [ 3.11921320e-31  3.74305585e-31 -8.73379697e-31]
 [ 5.92650509e-31  9.35763961e-32  3.43113452e-31]
 [ 2.49537056e-31  5.14670179e-31 -1.55960660e-31]
 [-4.05497717e-31 -6.23842641e-32  7.79803301e-31]
 [ 5.92650509e-31  2.80729188e-31  4.36689849e-31]
 [-3.11921320e-32  1.06053249e-30 -3.15820337e-31]
 [ 8.73379697e-31 -2.02748858e-31  1.24768528e-31]
 [-4.67881981e-32  1.48162627e-31 -2.33940990e-31]
 [ 4.05497717e-31 -8.73379697e-31  4.36689849e-31]
 [ 3.11921320e-31  9.20167895e-31  1.24768528e-31]
 [-3.58709518e-31 -9.66956093e-31 -2.65133122e-31]
 [ 2.18344924e-31  3.74305585e-31 -9.35763961e-32]
 [ 1.55960660e-32  7.56409202e-31  1.24768528e-31]]
stress =  [-1.59774929e-12 -1.59774929e-12 -1.59774929e-12 -2.47523316e-28
 -3.56432665e-35 -4.63874495e-51]
energy per atom =  -6.5567798292204165
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0