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_1994_SiC__MO_794973922560_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      -51.207368        1.0007
BFGS:    1 15:56:38      -51.244955        0.9105
BFGS:    2 15:56:38      -51.352498        0.6424
BFGS:    3 15:56:38      -51.426244        0.3975
BFGS:    4 15:56:38      -51.464965        0.2068
BFGS:    5 15:56:38      -51.470442        0.0753
BFGS:    6 15:56:38      -51.470609        0.0318
BFGS:    7 15:56:38      -51.470652        0.0110
BFGS:    8 15:56:38      -51.470654        0.0105
BFGS:    9 15:56:38      -51.470675        0.0055
BFGS:   10 15:56:38      -51.470678        0.0025
BFGS:   11 15:56:38      -51.470678        0.0008
BFGS:   12 15:56:38      -51.470678        0.0002
BFGS:   13 15:56:38      -51.470678        0.0000
BFGS:   14 15:56:38      -51.470678        0.0000
BFGS:   15 15:56:38      -51.470678        0.0000
BFGS:   16 15:56:38      -51.470678        0.0000
BFGS:   17 15:56:38      -51.470678        0.0000
Minimization converged after 17 steps.
Maximum force component: 1.773952408579138e-09 eV/Angstrom
Maximum stress component: 8.38492112633182e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 3.38766987e-36 1.82033924e-09]
 [7.93164201e-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]
 [1.06092766e-36 0.00000000e+00 1.87500002e-01]
 [0.00000000e+00 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([[3.0261292072691233, 3.629905610141868e-19, 2.248391987271486e-37], [-1.5130646036345616, 2.620704768629127, 3.965904563270662e-37], [6.791353778628459e-37, 7.341795370293956e-37, 9.88329660491402]])
forces =  [[ 1.98932919e-31 -3.44561923e-31  6.08913982e-10]
 [-6.52748640e-31 -7.53729206e-32  6.08913982e-10]
 [ 1.21897975e-46  1.31777848e-46  1.77395241e-09]
 [ 4.97332297e-32  4.30702403e-32  1.77395241e-09]
 [ 3.97865838e-31 -9.24051216e-47 -1.24457147e-09]
 [-4.97332297e-32  8.61404807e-32 -1.24457147e-09]
 [-1.09413105e-30  5.16842884e-31 -1.13829712e-09]
 [ 1.03196452e-30 -4.09167283e-31 -1.13829712e-09]]
stress =  [-2.01404153e-11 -2.01404153e-11  8.38492113e-11  3.17255582e-34
 -5.49502788e-34  2.97839893e-27]
energy per atom =  -6.433834787533982
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0