element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
model name:
Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:08:34       -8.363658        0.4236
BFGS:    1 15:08:34       -8.365951        0.3334
BFGS:    2 15:08:34       -8.371282        0.1659
BFGS:    3 15:08:34       -8.372597        0.1632
BFGS:    4 15:08:34       -8.374243        0.1046
BFGS:    5 15:08:34       -8.374805        0.0452
BFGS:    6 15:08:34       -8.374906        0.0129
BFGS:    7 15:08:34       -8.374914        0.0017
BFGS:    8 15:08:34       -8.374914        0.0002
BFGS:    9 15:08:34       -8.374914        0.0000
BFGS:   10 15:08:34       -8.374914        0.0000
BFGS:   11 15:08:34       -8.374914        0.0000
Minimization converged after 11 steps.
Maximum force component: 6.839756228589381e-32 eV/Angstrom
Maximum stress component: 1.9750055148844426e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.71791159021801, 7.00402499708042e-18, 1.7774558326252227e-37], [-1.358955795109005, 2.3537804823689576, 3.974902501111759e-37], [-1.7003929991769462e-37, -6.980914736788015e-36, 4.456970792785296]])
forces =  [[ 3.35008468e-32 -1.93417229e-32 -1.80570809e-69]
 [-6.83975623e-32  4.11011612e-32  4.01970332e-69]]
stress =  [-2.30475578e-11 -2.30475578e-11  1.97500551e-10  9.79114468e-35
  1.69587601e-34  9.40038489e-27]
energy per atom =  -4.18745716963396
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0