element(s):
['O']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['3.6456414', '3.197122', '0.052910347']
Parameter values for parameter set 1:
['3.4437661', '3.3578167', '0.053331807']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O']
representative atom coordinates =  [[0.         0.         0.55291035]]
spacegroup =  166
cell =  [[3.6456, 0, 0], [-1.8228, 3.1571822120365, 0], [0, 0, 11.6556]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:59:16       -2.932449        17.609282
BFGS:    1 10:59:17       -6.790436         7.455286
BFGS:    2 10:59:17       -7.983125         2.889956
BFGS:    3 10:59:17       -8.263588         0.888242
BFGS:    4 10:59:17       -8.299246         0.175558
BFGS:    5 10:59:17       -8.300838         0.014712
BFGS:    6 10:59:17       -8.300850         0.000278
BFGS:    7 10:59:17       -8.300850         0.000000
BFGS:    8 10:59:17       -8.300850         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.3786897549531807e-11 eV/Angstrom
Maximum stress component: 4.554635375109199e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O']
basis =  [[3.14438122e-17 6.28876245e-17 5.63373031e-01]
 [4.72597431e-17 2.18432350e-16 4.36626969e-01]
 [6.66666667e-01 3.33333333e-01 8.96706364e-01]
 [6.66666667e-01 3.33333333e-01 7.69960302e-01]
 [3.33333333e-01 6.66666667e-01 2.30039698e-01]
 [3.33333333e-01 6.66666667e-01 1.03293636e-01]]
cellpar =  Cell([[3.6455999999999746, 9.114567387736601e-31, 8.075680728945789e-17], [-1.8227999999999873, 3.1571822120365267, 1.6151361457891653e-16], [3.461473355652303e-17, 1.1850009006618472e-15, 11.84279019483279]])
forces =  [[ 4.02970734e-29  1.37953014e-27  1.37868975e-11]
 [-4.02970734e-29 -1.37953014e-27 -1.37868975e-11]
 [ 4.02970734e-29  1.37953014e-27  1.37868975e-11]
 [-4.02970734e-29 -1.37953014e-27 -1.37868975e-11]
 [ 4.02970734e-29  1.37953014e-27  1.37868975e-11]
 [-4.02970734e-29 -1.37953014e-27 -1.37868975e-11]]
stress =  [-2.76422442e-44 -1.70055339e-43 -4.55463538e-13 -2.71494123e-28
 -9.40483230e-29 -5.60606171e-44]
energy per atom =  -1.383474964320656
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['O']
representative atom coordinates =  [[0.         0.         0.55333181]]
spacegroup =  166
cell =  [[3.4438, 0, 0], [-1.7219, 2.9824182855528, 0], [0, 0, 11.5635]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:59:25       -2.932503        17.609155
BFGS:    1 10:59:25       -6.790458         7.455213
BFGS:    2 10:59:25       -7.983131         2.889925
BFGS:    3 10:59:25       -8.263589         0.888230
BFGS:    4 10:59:25       -8.299246         0.175555
BFGS:    5 10:59:26       -8.300838         0.014712
BFGS:    6 10:59:26       -8.300850         0.000278
BFGS:    7 10:59:26       -8.300850         0.000000
BFGS:    8 10:59:26       -8.300850         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.3777423646388356e-11 eV/Angstrom
Maximum stress component: 5.141177928838623e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 5.63877785e-01]
 [0.00000000e+00 7.44511949e-17 4.36122215e-01]
 [6.66666667e-01 3.33333333e-01 8.97211118e-01]
 [6.66666667e-01 3.33333333e-01 7.69455549e-01]
 [3.33333333e-01 6.66666667e-01 2.30544451e-01]
 [3.33333333e-01 6.66666667e-01 1.02788882e-01]]
cellpar =  Cell([[3.4437999999999724, 2.9103767745652286e-30, 1.4698573728471528e-16], [-1.7218999999999862, 2.982418285552825, 2.9397147456943114e-16], [4.5702146646992214e-17, 1.413905857601632e-15, 11.749210052588843]])
forces =  [[ 5.35915039e-29  1.65798210e-27  1.37774236e-11]
 [-5.35915039e-29 -1.65798210e-27 -1.37774236e-11]
 [ 5.35915039e-29  1.65798210e-27  1.37774236e-11]
 [-5.35915039e-29 -1.65798210e-27 -1.37774236e-11]
 [ 5.35915039e-29  1.65798210e-27  1.37774236e-11]
 [-5.35915039e-29 -1.65798210e-27 -1.37774236e-11]]
stress =  [-2.02814331e-44 -1.06609021e-43 -5.14117793e-13 -2.24576746e-28
 -7.77956670e-29 -3.39826748e-44]
energy per atom =  -1.383474964320656
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 1