element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP9_180_i_d
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1077', '1.0935059', '0.20837965']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.20837965 0.4167593  0.        ]
 [0.5        0.         0.5       ]]
spacegroup =  180
cell =  [[5.1077, 0, 0], [-2.55385, 4.4233979549098, 0], [0, 0, 5.5853]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:21:54      -60.085892         0.521961
BFGS:    1 10:21:54      -60.112324         0.386887
BFGS:    2 10:21:55      -60.147974         0.120080
BFGS:    3 10:21:55      -60.148498         0.116746
BFGS:    4 10:21:55      -60.153675         0.022606
BFGS:    5 10:21:55      -60.153723         0.013008
BFGS:    6 10:21:55      -60.153729         0.011117
BFGS:    7 10:21:55      -60.153739         0.010285
BFGS:    8 10:21:55      -60.153766         0.013146
BFGS:    9 10:21:55      -60.153821         0.015366
BFGS:   10 10:21:55      -60.153905         0.015853
BFGS:   11 10:21:55      -60.153976         0.010822
BFGS:   12 10:21:55      -60.154000         0.003279
BFGS:   13 10:21:56      -60.154003         0.000342
BFGS:   14 10:21:56      -60.154003         0.000026
BFGS:   15 10:21:56      -60.154003         0.000002
BFGS:   16 10:21:56      -60.154003         0.000000
BFGS:   17 10:21:56      -60.154003         0.000000
Minimization converged after 17 steps.
Maximum force component: 4.716386154631488e-10 eV/Angstrom
Maximum stress component: 3.071664228020925e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']
basis =  [[2.05798522e-01 4.11597044e-01 4.11792372e-32]
 [5.88402956e-01 7.94201478e-01 6.66666667e-01]
 [2.05798522e-01 7.94201478e-01 3.33333333e-01]
 [7.94201478e-01 5.88402956e-01 2.31156488e-32]
 [4.11597044e-01 2.05798522e-01 6.66666667e-01]
 [7.94201478e-01 2.05798522e-01 3.33333333e-01]
 [5.00000000e-01 5.01977455e-17 5.00000000e-01]
 [8.65815857e-17 5.00000000e-01 1.66666667e-01]
 [5.00000000e-01 5.00000000e-01 8.33333333e-01]]
cellpar =  Cell([[5.129141561853971, 1.8837170699424012e-18, -4.249276062018503e-40], [-2.5645707809269855, 4.441966892172131, 9.236680698880192e-41], [-1.7095563817830546e-37, -1.112285518364469e-39, 5.64219532122912]])
forces =  [[ 1.26122862e-26 -4.71638615e-10 -1.48363577e-30]
 [ 4.08451022e-10  2.35819308e-10  6.95454267e-31]
 [-4.08451022e-10  2.35819308e-10  1.79659019e-31]
 [-6.43110744e-26  4.71638615e-10 -9.27272356e-32]
 [-4.08451022e-10 -2.35819308e-10  4.02142555e-50]
 [ 4.08451022e-10 -2.35819308e-10 -7.41817885e-31]
 [-3.37181605e-31  5.84015671e-31 -1.85454471e-31]
 [-6.74363209e-31 -2.47665125e-49  5.09999796e-31]
 [ 6.74363209e-31  2.47665125e-49 -5.58681293e-71]]
stress =  [-5.92124175e-12 -5.92124175e-12 -3.07166423e-11 -2.62298468e-33
  4.54314273e-33 -7.23006523e-28]
energy per atom =  -6.683778120135226
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0