element(s):
['C', 'Si']
AFLOW prototype label:
A2B_tP6_131_i_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1802', '2.1648324', '0.59917023']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.         0.5        0.59917023]
 [0.         0.         0.25      ]]
spacegroup =  131
cell =  [[3.1802, 0, 0], [0, 3.1802, 0], [0, 0, 6.8846]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:26:49      -37.466981         6.703877
BFGS:    1 17:26:49      -38.211094         1.252424
BFGS:    2 17:26:49      -38.276489         1.292232
BFGS:    3 17:26:49      -38.342150         1.096526
BFGS:    4 17:26:49      -38.385954         0.888443
BFGS:    5 17:26:49      -38.422061         0.729385
BFGS:    6 17:26:49      -38.439375         0.164057
BFGS:    7 17:26:49      -38.440241         0.058636
BFGS:    8 17:26:49      -38.440456         0.052537
BFGS:    9 17:26:50      -38.440646         0.045001
BFGS:   10 17:26:50      -38.440919         0.044942
BFGS:   11 17:26:50      -38.441021         0.021802
BFGS:   12 17:26:50      -38.441038         0.003610
BFGS:   13 17:26:50      -38.441039         0.000215
BFGS:   14 17:26:50      -38.441039         0.000015
BFGS:   15 17:26:50      -38.441039         0.000001
BFGS:   16 17:26:50      -38.441039         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.0281637472589879e-08 eV/Angstrom
Maximum stress component: 4.219574888225613e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[4.92763099e-35 5.00000000e-01 6.09418867e-01]
 [5.00000000e-01 2.46216567e-34 1.09418867e-01]
 [3.64873446e-35 5.00000000e-01 3.90581133e-01]
 [5.00000000e-01 9.84866269e-34 8.90581133e-01]
 [0.00000000e+00 7.38649702e-34 2.50000000e-01]
 [0.00000000e+00 9.84866269e-34 7.50000000e-01]]
cellpar =  Cell([[3.128838916749854, -8.768619700406428e-37, -1.5092981930460505e-32], [-2.6012502725752945e-36, 3.1288389167498547, -9.933769032275853e-18], [-8.235438678927098e-33, -2.090251889254478e-17, 6.657922324693741]])
forces =  [[ 4.82073966e-33  3.22791572e-26 -1.02816375e-08]
 [-1.54263669e-31  3.22791572e-26 -1.02816375e-08]
 [-4.82073966e-33 -3.22791572e-26  1.02816375e-08]
 [ 1.54263669e-31 -3.22791548e-26  1.02816375e-08]
 [ 4.06038476e-64  1.03057375e-48 -3.28260914e-31]
 [-8.12076951e-64 -2.06114750e-48  6.56521829e-31]]
stress =  [ 4.30999913e-11  4.30999913e-11 -4.21957489e-10 -3.46192541e-25
  2.36678344e-33  1.94020008e-48]
energy per atom =  -6.40683979655946
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0