element(s):
['O']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5258', '3.3934595', '0.67829089']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O']
representative atom coordinates =  [[0.33333333 0.66666667 0.67829089]]
spacegroup =  194
cell =  [[2.5258, 0, 0], [-1.2629, 2.1874069648787, 0], [0, 0, 8.5712]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:37:31       -1.807101        18.130175
BFGS:    1 15:37:31       -4.515381         7.529639
BFGS:    2 15:37:31       -5.320226         2.918452
BFGS:    3 15:37:31       -5.509450         0.886316
BFGS:    4 15:37:31       -5.532877         0.172863
BFGS:    5 15:37:31       -5.533893         0.014106
BFGS:    6 15:37:31       -5.533900         0.000256
BFGS:    7 15:37:31       -5.533900         0.000000
BFGS:    8 15:37:31       -5.533900         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.0482281709300878e-11 eV/Angstrom
Maximum stress component: 6.493987867407386e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O']
basis =  [[0.33333333 0.66666667 0.66442947]
 [0.66666666 0.33333334 0.16442947]
 [0.66666666 0.33333334 0.33557053]
 [0.33333333 0.66666667 0.83557053]]
cellpar =  Cell([[2.5257999999999834, 1.3578080933997043e-30, 6.845181834086758e-37], [-1.2628999999999917, 2.18740696487872, -2.3201990871834666e-36], [7.591463610729766e-37, -2.3454600497646586e-35, 8.770701093847562]])
forces =  [[-4.24737032e-44 -8.14586168e-45 -1.04822817e-11]
 [-7.07970661e-45 -8.14586168e-45 -1.04822817e-11]
 [ 7.07970661e-45  8.14586168e-45  1.04822817e-11]
 [ 4.24737032e-44  8.14586168e-45  1.04822817e-11]]
stress =  [-5.11666951e-45 -5.11666951e-45 -6.49398787e-13  2.03307439e-45
  2.99331295e-47 -6.58949571e-61]
energy per atom =  -1.383474964320655
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0