element(s):
['O']
AFLOW prototype label:
A_mC16_12_2ij
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'y3', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.8714', '0.72872376', '0.90691435', '149.5346', '0.035798797', '0.8320927', '0.27785058', '0.13359954', '0.37903066', '0.26389389', '0.84925787']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O']
representative atom coordinates =  [[0.7962939  0.         0.76049511]
 [0.85574896 0.         0.57789838]
 [0.97022721 0.76389389 0.09119655]]
spacegroup =  12
cell =  [[9.5678, 0, 0], [0, 6.4648, 0], [-2.4667174184809, 0, 3.7823205228224]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:37:13       -7.499838        17.899865
BFGS:    1 09:37:13      -17.704192         7.908216
BFGS:    2 09:37:13      -21.175189         3.094104
BFGS:    3 09:37:13      -22.011369         0.993495
BFGS:    4 09:37:13      -22.129414         0.210169
BFGS:    5 09:37:13      -22.135541         0.020105
BFGS:    6 09:37:13      -22.135599         0.000482
BFGS:    7 09:37:13      -22.135599         0.000004
BFGS:    8 09:37:13      -22.135599         0.000001
BFGS:    9 09:37:13      -22.135599         0.000000
BFGS:   10 09:37:13      -22.135599         0.000000
BFGS:   11 09:37:13      -22.135599         0.000000
Minimization converged after 11 steps.
Maximum force component: 4.397022745905586e-09 eV/Angstrom
Maximum stress component: 4.321560709108991e-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']
basis =  [[7.90016164e-01 0.00000000e+00 7.79774662e-01]
 [2.09983836e-01 1.00000000e+00 2.20225338e-01]
 [2.90016164e-01 5.00000000e-01 7.79774662e-01]
 [7.09983836e-01 5.00000000e-01 2.20225338e-01]
 [8.62026696e-01 4.14887310e-18 5.58618828e-01]
 [1.37973304e-01 1.00000000e+00 4.41381172e-01]
 [3.62026696e-01 5.00000000e-01 5.58618828e-01]
 [6.37973304e-01 5.00000000e-01 4.41381172e-01]
 [9.63936275e-01 7.63893890e-01 1.10466667e-01]
 [3.60637254e-02 7.63893890e-01 8.89533333e-01]
 [4.63936275e-01 2.63893890e-01 1.10466667e-01]
 [5.36063725e-01 2.63893890e-01 8.89533333e-01]
 [3.60637254e-02 2.36106110e-01 8.89533333e-01]
 [9.63936275e-01 2.36106110e-01 1.10466667e-01]
 [5.36063725e-01 7.36106110e-01 8.89533333e-01]
 [4.63936275e-01 7.36106110e-01 1.10466667e-01]]
cellpar =  Cell([[9.610968028142912, -4.0229478866671276e-16, -0.029228393885308197], [-2.926942174082054e-17, 6.464799999999987, -4.660295888427499e-17], [-2.4894012622968136, 2.011670613321056e-16, 3.797679401414082]])
forces =  [[ 4.39702275e-09 -2.59930978e-25 -2.97932834e-09]
 [-4.39702275e-09  2.59930978e-25  2.97932834e-09]
 [ 4.39702275e-09 -2.59930978e-25 -2.97932834e-09]
 [-4.39702275e-09  2.59930978e-25  2.97932834e-09]
 [-4.39702275e-09  2.59930978e-25  2.97932834e-09]
 [ 4.39702275e-09 -2.59930978e-25 -2.97932834e-09]
 [-4.39702275e-09  2.59930978e-25  2.97932834e-09]
 [ 4.39702275e-09 -2.59930978e-25 -2.97932834e-09]
 [-4.19035762e-09  2.47608047e-25  2.83515811e-09]
 [ 4.19035762e-09 -2.47608047e-25 -2.83515811e-09]
 [-4.19035762e-09  2.47608047e-25  2.83515811e-09]
 [ 4.19035762e-09 -2.47608047e-25 -2.83515811e-09]
 [ 4.19035762e-09 -2.47608047e-25 -2.83515811e-09]
 [-4.19035762e-09  2.47608047e-25  2.83515811e-09]
 [ 4.19035762e-09 -2.47608047e-25 -2.83515811e-09]
 [-4.19035762e-09  2.47608047e-25  2.83515811e-09]]
stress =  [ 4.32156071e-12 -6.25146947e-41  2.10241725e-12  1.46285729e-28
 -3.01557710e-12 -2.09822260e-28]
energy per atom =  -1.3834749643206554
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0