element(s):
['Si']
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:
['3.8496', '1.6527431', '0.56294015']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:26:22      -18.503101         0.409683
BFGS:    1 16:26:22      -18.506135         0.345958
BFGS:    2 16:26:22      -18.512857         0.131374
BFGS:    3 16:26:22      -18.513830         0.104980
BFGS:    4 16:26:22      -18.514982         0.042642
BFGS:    5 16:26:22      -18.515049         0.041414
BFGS:    6 16:26:22      -18.515462         0.015039
BFGS:    7 16:26:22      -18.515489         0.005569
BFGS:    8 16:26:22      -18.515491         0.000333
BFGS:    9 16:26:22      -18.515491         0.000012
BFGS:   10 16:26:22      -18.515491         0.000000
BFGS:   11 16:26:22      -18.515491         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.42929119970842e-09 eV/Angstrom
Maximum stress component: 2.334705574888804e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.841085242934574, -2.948060775100941e-18, 3.3637528284364705e-37], [-1.920542621467287, 3.3264773984828633, 1.2934677090230678e-36], [1.3003130178049494e-36, 4.245983113897289e-36, 6.272465935305134]])
forces =  [[ 2.84070186e-31 -5.46693327e-32 -7.42929120e-09]
 [-1.57816770e-31  5.46693327e-32 -7.42929120e-09]
 [-2.20943478e-31 -5.46693327e-32  7.42929120e-09]
 [ 1.57816770e-31 -5.46693327e-32  7.42929120e-09]]
stress =  [ 2.33470557e-10  2.33470557e-10 -1.30896038e-10 -3.93827748e-34
  6.82129669e-34 -1.09161818e-25]
energy per atom =  -4.628872713879841
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0