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:
Tersoff_LAMMPS_Tersoff_1988T2_Si__MO_245095684871_004
==== 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 10:53:12       -8.130732         0.545878
BFGS:    1 10:53:12       -8.138806         0.485006
BFGS:    2 10:53:12       -8.158165         0.091613
BFGS:    3 10:53:12       -8.158341         0.050319
BFGS:    4 10:53:12       -8.158459         0.015903
BFGS:    5 10:53:12       -8.158473         0.003027
BFGS:    6 10:53:12       -8.158474         0.000429
BFGS:    7 10:53:12       -8.158474         0.000027
BFGS:    8 10:53:13       -8.158474         0.000000
BFGS:    9 10:53:13       -8.158474         0.000000
Minimization converged after 9 steps.
Maximum force component: 5.325815705156324e-32 eV/Angstrom
Maximum stress component: 3.517844910162472e-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([[2.728935804771575, 4.9535478795846764e-18, -6.125203794509235e-40], [-1.3644679023857875, 2.3633277322291146, -1.2399690978643712e-39], [-5.566695381411747e-37, -1.5679729905274674e-36, 4.461827708286892]])
forces =  [[ 5.32581571e-32 -3.39853072e-32  9.16604543e-33]
 [-1.96214263e-32  1.45651317e-32 -9.16604543e-33]]
stress =  [-3.51784491e-10 -3.51784491e-10  1.56241532e-10 -3.89639034e-33
 -1.34974921e-33 -1.80563844e-25]
energy per atom =  -4.079237012196644
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0