element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:43:37      -37.005519         0.255358
BFGS:    1 15:43:37      -37.008226         0.239352
BFGS:    2 15:43:37      -37.027271         0.012102
BFGS:    3 15:43:37      -37.027317         0.000419
BFGS:    4 15:43:37      -37.027317         0.000001
BFGS:    5 15:43:37      -37.027317         0.000000
Minimization converged after 5 steps.
Maximum force component: 6.245500904890544e-31 eV/Angstrom
Maximum stress component: 1.997798251079259e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.49383752e-34 1.47655156e-33 4.65298616e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.17568544e-33]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.4288774656985925, 9.198236554308889e-41, 7.04378239208063e-34], [-1.5136282713674316e-33, 5.4288774656985925, -2.713225507547576e-20], [-5.511335773945016e-33, -2.7132255075469323e-20, 5.4288774656985925]])
forces =  [[ 8.92214415e-32  3.34580406e-31  2.56511644e-31]
 [ 3.34580406e-32 -2.00748243e-31 -1.78442883e-31]
 [ 2.23053604e-31 -3.12275045e-31  1.56067737e-51]
 [-8.92214415e-32  6.24550090e-31 -2.45358964e-31]
 [-2.23053604e-32 -4.46107207e-31  3.24821810e-31]
 [-1.17103142e-31 -3.34580406e-31 -1.78442883e-31]
 [-5.57634009e-32  3.90343807e-32  2.62087984e-31]
 [-4.68412568e-31  2.95546025e-31  2.23053604e-32]]
stress =  [ 1.99779825e-12  1.99779825e-12  1.99779825e-12  6.20582591e-28
 -3.91247250e-61  6.07081858e-62]
energy per atom =  -4.628414662852904
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0