element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP8_186_ab_ab
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0934', '3.2733562', '0.00019436728', '0.18764075', '0.74957521', '0.93758968']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'Si', 'Si']
representative atom coordinates =  [[0.0000000e+00 0.0000000e+00 1.9436728e-04]
 [3.3333333e-01 6.6666667e-01 7.4957521e-01]
 [0.0000000e+00 0.0000000e+00 1.8764075e-01]
 [3.3333333e-01 6.6666667e-01 9.3758968e-01]]
spacegroup =  186
cell =  [[3.0934, 0, 0], [-1.5467, 2.6789629840668, 0], [0, 0, 10.1258]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:56:38      -49.230870        0.6022
BFGS:    1 15:56:38      -49.243707        0.5434
BFGS:    2 15:56:38      -49.292877        0.3113
BFGS:    3 15:56:38      -49.312149        0.3652
BFGS:    4 15:56:38      -49.316142        0.1848
BFGS:    5 15:56:38      -49.317258        0.0362
BFGS:    6 15:56:38      -49.317309        0.0126
BFGS:    7 15:56:38      -49.317317        0.0080
BFGS:    8 15:56:38      -49.317319        0.0067
BFGS:    9 15:56:38      -49.317323        0.0054
BFGS:   10 15:56:38      -49.317326        0.0063
BFGS:   11 15:56:38      -49.317328        0.0036
BFGS:   12 15:56:38      -49.317328        0.0009
BFGS:   13 15:56:38      -49.317328        0.0002
BFGS:   14 15:56:38      -49.317328        0.0000
BFGS:   15 15:56:38      -49.317328        0.0000
BFGS:   16 15:56:38      -49.317328        0.0000
BFGS:   17 15:56:38      -49.317328        0.0000
BFGS:   18 15:56:38      -49.317328        0.0000
Minimization converged after 18 steps.
Maximum force component: 2.2564784971090827e-09 eV/Angstrom
Maximum stress component: 3.141045807585734e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 1.82480437e-09]
 [4.12675659e-35 0.00000000e+00 5.00000002e-01]
 [3.33333333e-01 6.66666667e-01 7.50000002e-01]
 [6.66666667e-01 3.33333333e-01 2.50000002e-01]
 [0.00000000e+00 0.00000000e+00 1.87500002e-01]
 [6.01852916e-36 0.00000000e+00 6.87500002e-01]
 [3.33333333e-01 6.66666667e-01 9.37500002e-01]
 [6.66666667e-01 3.33333333e-01 4.37500002e-01]]
cellpar =  Cell([[3.0554506061307167, 2.6133974092493644e-18, -9.82008256396714e-37], [-1.5277253030653584, 2.646097844917762, -1.7484930947680353e-36], [-6.213607520531045e-36, -1.0463011786811573e-35, 9.979059892497437]])
forces =  [[ 1.67906792e-31 -2.98977012e-32 -2.25647850e-09]
 [-1.50645346e-31  8.69751309e-32 -2.25647850e-09]
 [ 2.51075576e-32 -4.34875654e-32 -9.25340478e-10]
 [-2.51075576e-32  4.34875654e-32 -9.25340478e-10]
 [-8.17451174e-46 -1.37649525e-45  1.31282740e-09]
 [-5.02151152e-32 -1.37653820e-45  1.31282740e-09]
 [-6.90457834e-32  2.06565936e-31  1.86899576e-09]
 [ 1.00430230e-31  1.73950262e-31  1.86899576e-09]]
stress =  [ 1.23610131e-12  1.23610131e-12 -3.14104581e-11  4.35674065e-33
 -1.07801374e-33  1.50614638e-28]
energy per atom =  -6.16466603024916
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0