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 12:12:16      -49.230870         0.602196
BFGS:    1 12:12:16      -49.243707         0.543426
BFGS:    2 12:12:16      -49.292877         0.311253
BFGS:    3 12:12:16      -49.312149         0.365232
BFGS:    4 12:12:16      -49.316142         0.184848
BFGS:    5 12:12:16      -49.317258         0.036166
BFGS:    6 12:12:16      -49.317309         0.012606
BFGS:    7 12:12:16      -49.317317         0.007961
BFGS:    8 12:12:16      -49.317319         0.006685
BFGS:    9 12:12:16      -49.317323         0.005440
BFGS:   10 12:12:16      -49.317326         0.006286
BFGS:   11 12:12:16      -49.317328         0.003552
BFGS:   12 12:12:16      -49.317328         0.000879
BFGS:   13 12:12:16      -49.317328         0.000155
BFGS:   14 12:12:16      -49.317328         0.000039
BFGS:   15 12:12:16      -49.317328         0.000006
BFGS:   16 12:12:16      -49.317328         0.000000
BFGS:   17 12:12:16      -49.317328         0.000000
BFGS:   18 12:12:16      -49.317328         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.256540107548055e-09 eV/Angstrom
Maximum stress component: 3.141024891374359e-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 1.82480481e-09]
 [1.14826333e-34 0.00000000e+00 5.00000002e-01]
 [3.33333333e-01 6.66666667e-01 7.50000002e-01]
 [6.66666667e-01 3.33333333e-01 2.50000002e-01]
 [1.78032406e-36 0.00000000e+00 1.87500002e-01]
 [0.00000000e+00 2.88472022e-36 6.87500002e-01]
 [3.33333333e-01 6.66666667e-01 9.37500002e-01]
 [6.66666667e-01 3.33333333e-01 4.37500002e-01]]
cellpar =  Cell([[3.0554506061307154, 8.944358889872933e-19, -3.335933902465208e-41], [-1.5277253030653577, 2.6460978449177617, 1.324263725965303e-40], [7.018851377163836e-41, -8.852736113562309e-38, 9.979059892497439]])
forces =  [[-3.01290691e-31 -1.73950262e-31 -2.25654011e-09]
 [ 1.00430230e-31 -3.47900524e-31 -2.25654011e-09]
 [-1.50645346e-31 -8.69751309e-32 -9.25372876e-10]
 [-1.25537788e-32 -6.52313482e-32 -9.25372876e-10]
 [-2.51075576e-31 -4.34875654e-32  1.31285496e-09]
 [ 6.27688940e-32 -1.08718914e-31  1.31285496e-09]
 [-1.12984009e-31  1.95694044e-31  1.86905778e-09]
 [-1.00430230e-31 -1.66103955e-47  1.86905778e-09]]
stress =  [ 1.23556395e-12  1.23556395e-12 -3.14102489e-11 -1.55597880e-34
 -2.69503434e-34  1.42775024e-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