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 16:21:12       -8.558638         4.462528
BFGS:    1 16:21:12       -8.954333         3.474855
BFGS:    2 16:21:12       -9.264574         2.521907
BFGS:    3 16:21:12       -9.542016         2.270492
BFGS:    4 16:21:12       -9.798998         2.613102
BFGS:    5 16:21:12       -9.948745         4.050711
BFGS:    6 16:21:12       -9.986129         4.598735
BFGS:    7 16:21:12      -10.001625         5.279409
BFGS:    8 16:21:12      -10.003466         5.242222
BFGS:    9 16:21:12      -10.054639         4.612454
BFGS:   10 16:21:12      -10.104342         4.238248
BFGS:   11 16:21:12      -10.157659         3.934350
BFGS:   12 16:21:12      -10.213301         3.345873
BFGS:   13 16:21:12      -10.244169         0.590891
BFGS:   14 16:21:12      -10.247382         0.488171
BFGS:   15 16:21:12      -10.252057         0.059894
BFGS:   16 16:21:12      -10.252068         0.008855
BFGS:   17 16:21:12      -10.252068         0.000018
BFGS:   18 16:21:12      -10.252068         0.000000
BFGS:   19 16:21:12      -10.252068         0.000000
Minimization converged after 19 steps.
Maximum force component: 5.044152873168173e-10 eV/Angstrom
Maximum stress component: 2.4031508433060656e-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([[2.6308669753838525, -1.7458394582177297e-33, 4.425052131139575e-33], [-1.328808702169538e-33, 2.6308669753838516, -8.694050800744234e-18], [3.344856804261405e-32, -1.6477266055410492e-17, 5.98766588729029]])
forces =  [[ 1.29711756e-31 -1.38821399e-27  5.04415287e-10]
 [-2.81778733e-42  1.38834370e-27 -5.04415287e-10]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 9.46033955e-13  9.46033955e-13  2.40315084e-11  1.28934298e-26
 -3.91231681e-34 -2.09697034e-49]
energy per atom =  -3.417355933478682
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0