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_1990_SiC__MO_444207127575_000
==== 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      -49.542867        0.7368
BFGS:    1 15:56:38      -49.562824        0.6608
BFGS:    2 15:56:38      -49.631409        0.4032
BFGS:    3 15:56:38      -49.668127        0.4066
BFGS:    4 15:56:38      -49.676935        0.2082
BFGS:    5 15:56:38      -49.678042        0.0634
BFGS:    6 15:56:38      -49.678205        0.0110
BFGS:    7 15:56:38      -49.678210        0.0112
BFGS:    8 15:56:38      -49.678216        0.0098
BFGS:    9 15:56:38      -49.678225        0.0107
BFGS:   10 15:56:38      -49.678234        0.0097
BFGS:   11 15:56:38      -49.678238        0.0040
BFGS:   12 15:56:38      -49.678239        0.0007
BFGS:   13 15:56:38      -49.678239        0.0002
BFGS:   14 15:56:38      -49.678239        0.0001
BFGS:   15 15:56:38      -49.678239        0.0000
BFGS:   16 15:56:38      -49.678239        0.0000
BFGS:   17 15:56:38      -49.678239        0.0000
BFGS:   18 15:56:38      -49.678239        0.0000
Minimization converged after 18 steps.
Maximum force component: 6.603602289989573e-09 eV/Angstrom
Maximum stress component: 1.1005385796045412e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 1.82736708e-09]
 [0.00000000e+00 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 4.65132152e-36 1.87500002e-01]
 [2.51354590e-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([[3.045601032854088, -2.17253511817926e-18, -5.817046961888335e-38], [-1.522800516427044, 2.6375678642437648, -1.1566776269422306e-37], [-6.0422097186390986e-37, -6.561346565657893e-37, 9.94689132093975]])
forces =  [[-3.00319448e-31 -1.73389514e-31 -3.90704333e-09]
 [-4.81762449e-31 -1.19205291e-31 -3.90704333e-09]
 [ 5.00532414e-32 -8.66947572e-32 -1.91204379e-10]
 [-5.00532414e-32 -8.66947572e-32 -1.91204379e-10]
 [-3.00319448e-31  1.73389514e-31 -2.50535892e-09]
 [ 5.50585656e-31 -2.60084272e-31 -2.50535892e-09]
 [-1.00106483e-31  1.73389514e-31  6.60360229e-09]
 [ 2.50266207e-31  1.73389514e-31  6.60360229e-09]]
stress =  [ 1.10053858e-10  1.10053858e-10  6.43226295e-11 -1.00227792e-32
  5.33903900e-46 -5.49801761e-26]
energy per atom =  -6.209779826423706
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0