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 16:29:32      -37.005519         0.255358
BFGS:    1 16:29:32      -37.008226         0.239352
BFGS:    2 16:29:32      -37.027271         0.012102
BFGS:    3 16:29:32      -37.027317         0.000419
BFGS:    4 16:29:32      -37.027317         0.000001
BFGS:    5 16:29:32      -37.027317         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.568857659937453e-31 eV/Angstrom
Maximum stress component: 1.997798251079258e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 9.62982665e-34 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.61288417e-34]
 [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, -1.4348871577044163e-33, 2.2344920741173707e-33], [1.5136449689692911e-33, 5.4288774656985925, -4.064010062783582e-20], [1.4890954013506413e-34, -4.064010062782364e-20, 5.4288774656985925]])
forces =  [[-1.33832162e-31  2.67664324e-31  1.56137523e-31]
 [-1.11526802e-32 -8.92214415e-32 -5.57634009e-32]
 [-2.89969685e-31 -1.33832162e-31  2.89969685e-31]
 [ 1.11526802e-31  2.45358964e-31  1.11526802e-32]
 [-3.56885766e-31 -2.23053604e-32 -4.70503695e-32]
 [-3.90343807e-32  1.50278375e-51 -2.00748243e-31]
 [-1.11526802e-31  1.05950462e-31  2.23053604e-32]
 [-2.00748243e-31 -5.01870608e-32 -2.45358964e-31]]
stress =  [ 1.99779825e-12  1.99779825e-12  1.99779825e-12 -4.70379437e-28
 -1.39405249e-34  4.80953195e-50]
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