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 12:12:16      -49.542867         0.736763
BFGS:    1 12:12:16      -49.562824         0.660789
BFGS:    2 12:12:16      -49.631409         0.403166
BFGS:    3 12:12:16      -49.668127         0.406570
BFGS:    4 12:12:16      -49.676935         0.208245
BFGS:    5 12:12:16      -49.678042         0.063434
BFGS:    6 12:12:16      -49.678205         0.011038
BFGS:    7 12:12:16      -49.678210         0.011161
BFGS:    8 12:12:16      -49.678216         0.009841
BFGS:    9 12:12:16      -49.678225         0.010706
BFGS:   10 12:12:16      -49.678234         0.009690
BFGS:   11 12:12:16      -49.678238         0.004019
BFGS:   12 12:12:16      -49.678239         0.000713
BFGS:   13 12:12:16      -49.678239         0.000169
BFGS:   14 12:12:16      -49.678239         0.000072
BFGS:   15 12:12:16      -49.678239         0.000013
BFGS:   16 12:12:16      -49.678239         0.000001
BFGS:   17 12:12:16      -49.678239         0.000000
BFGS:   18 12:12:16      -49.678239         0.000000
Minimization converged after 18 steps.
Maximum force component: 6.603580467168246e-09 eV/Angstrom
Maximum stress component: 1.1005147920408918e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.03086853e-35 5.17695059e-36 1.82736703e-09]
 [1.76872717e-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]
 [2.73155835e-36 0.00000000e+00 1.87500002e-01]
 [5.09417596e-36 5.31392706e-38 6.87500002e-01]
 [3.33333333e-01 6.66666667e-01 9.37500002e-01]
 [6.66666667e-01 3.33333333e-01 4.37500002e-01]]
cellpar =  Cell([[3.0456010328540866, -4.1749375582891086e-19, -1.7867822630891449e-37], [-1.5228005164270433, 2.637567864243763, -3.546776572603501e-37], [-6.393343143892218e-37, -3.364601885752125e-36, 9.94689132093975]])
forces =  [[-2.00212966e-31 -3.46779029e-31 -3.90704580e-09]
 [-3.50372690e-31 -8.66947572e-32 -3.90704580e-09]
 [-2.00212966e-31  6.46932940e-47 -1.91173931e-10]
 [ 1.00106483e-31 -1.73389514e-31 -1.91173931e-10]
 [ 1.61031464e-46  8.47454539e-46 -2.50535977e-09]
 [ 1.61031464e-46  8.47454539e-46 -2.50535977e-09]
 [-4.24443724e-46 -2.23370484e-45  6.60358047e-09]
 [-5.00532414e-32  8.66947572e-32  6.60358047e-09]]
stress =  [ 1.10051479e-10  1.10051479e-10  6.43217986e-11 -7.51708440e-33
  4.33999070e-33 -1.37303448e-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