element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
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:
['4.8146', '0.54949529']
model name:
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:48:37      -17.109879         0.880154
BFGS:    1 09:48:37      -17.129483         0.803362
BFGS:    2 09:48:37      -17.185452         0.457789
BFGS:    3 09:48:37      -17.206776         0.045216
BFGS:    4 09:48:37      -17.206959         0.002257
BFGS:    5 09:48:37      -17.206959         0.000264
BFGS:    6 09:48:37      -17.206959         0.000226
BFGS:    7 09:48:37      -17.206959         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.7803648281922895e-32 eV/Angstrom
Maximum stress component: 5.079149309129729e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[9.31462412e-35 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 4.23722300e-33 7.50000000e-01]]
cellpar =  Cell([[4.903559216181992, 3.677410101441312e-36, 1.6432475403262694e-40], [2.02883333486871e-36, 4.903559216181992, -1.1810971102366355e-20], [-7.732731672887845e-38, -6.197145536912168e-21, 2.56782852901909]])
forces =  [[-1.59627065e-69 -4.72195576e-33 -1.18690989e-32]
 [-9.44391153e-34  1.90964291e-53 -7.91273257e-33]
 [-3.77756461e-33 -3.77756461e-33  1.78036483e-32]
 [-2.38283192e-70 -1.90964291e-53  7.91273257e-33]]
stress =  [-5.07914931e-10 -5.07914931e-10 -2.73108449e-10 -1.06034591e-27
  1.22363821e-34  3.13377512e-52]
energy per atom =  -4.3017398522033234
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0