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 13:12:10      -51.207368         1.000692
BFGS:    1 13:12:10      -51.244955         0.910505
BFGS:    2 13:12:10      -51.352498         0.642350
BFGS:    3 13:12:10      -51.426244         0.397528
BFGS:    4 13:12:10      -51.464965         0.206759
BFGS:    5 13:12:10      -51.470442         0.075284
BFGS:    6 13:12:10      -51.470609         0.031777
BFGS:    7 13:12:11      -51.470652         0.010965
BFGS:    8 13:12:11      -51.470654         0.010474
BFGS:    9 13:12:11      -51.470675         0.005530
BFGS:   10 13:12:11      -51.470678         0.002532
BFGS:   11 13:12:11      -51.470678         0.000835
BFGS:   12 13:12:11      -51.470678         0.000239
BFGS:   13 13:12:11      -51.470678         0.000043
BFGS:   14 13:12:11      -51.470678         0.000006
BFGS:   15 13:12:11      -51.470678         0.000000
BFGS:   16 13:12:11      -51.470678         0.000000
BFGS:   17 13:12:11      -51.470678         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.7739528526683477e-09 eV/Angstrom
Maximum stress component: 8.3849069617801e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.07140884e-35 0.00000000e+00 1.82033924e-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]
 [7.29710503e-37 0.00000000e+00 1.87500002e-01]
 [0.00000000e+00 8.78675092e-37 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, -1.1075985647878864e-19, 9.534598890812067e-37], [-1.5130646036345616, 2.620704768629127, 1.895034196944607e-36], [5.6249488469247735e-36, 6.827275912015291e-36, 9.88329660491402]])
forces =  [[-3.97865838e-31  6.89123845e-31  6.08910512e-10]
 [ 5.40848873e-31 -7.53729206e-32  6.08910512e-10]
 [ 1.00962204e-45  1.22542772e-45  1.77395285e-09]
 [ 4.97332297e-32  4.30702403e-32  1.77395285e-09]
 [ 4.22732452e-31  1.29210721e-31 -1.24456880e-09]
 [ 9.94664594e-32  5.16842884e-31 -1.24456880e-09]
 [-1.98932919e-30  6.89123845e-31 -1.13829688e-09]
 [ 1.42983035e-30 -4.09167283e-31 -1.13829688e-09]]
stress =  [-2.01404167e-11 -2.01404167e-11  8.38490696e-11 -1.58627791e-34
  2.74751394e-34  3.02661046e-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