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 14:12:05       -8.130732         0.545878
BFGS:    1 14:12:05       -8.138806         0.485006
BFGS:    2 14:12:05       -8.158165         0.091613
BFGS:    3 14:12:05       -8.158341         0.050319
BFGS:    4 14:12:05       -8.158459         0.015903
BFGS:    5 14:12:05       -8.158473         0.003027
BFGS:    6 14:12:05       -8.158474         0.000429
BFGS:    7 14:12:05       -8.158474         0.000027
BFGS:    8 14:12:05       -8.158474         0.000000
BFGS:    9 14:12:05       -8.158474         0.000000
Minimization converged after 9 steps.
Maximum force component: 5.045509615411254e-32 eV/Angstrom
Maximum stress component: 3.5178398613238805e-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, 7.543493383701074e-18, -2.8026188343554657e-38], [-1.3644679023857875, 2.3633277322291155, -4.85797033303135e-38], [-4.1234765382968656e-36, 1.7124548833832133e-36, 4.461827708286893]])
forces =  [[ 5.04550962e-32 -2.91302633e-32 -3.66641817e-32]
 [-5.04550962e-32  2.91302633e-32  3.66641817e-32]]
stress =  [-3.51783986e-10 -3.51783986e-10  1.56242063e-10  3.26129220e-45
  7.58037927e-46 -3.58660976e-26]
energy per atom =  -4.079237012196643
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0