element(s):
['C', 'Si']
AFLOW prototype label:
A2B_tP6_131_i_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1802', '2.1648324', '0.59917023']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.         0.5        0.59917023]
 [0.         0.         0.25      ]]
spacegroup =  131
cell =  [[3.1802, 0, 0], [0, 3.1802, 0], [0, 0, 6.8846]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:16:15      -37.466981         6.703877
BFGS:    1 16:16:15      -38.211094         1.252424
BFGS:    2 16:16:15      -38.276489         1.292232
BFGS:    3 16:16:15      -38.342150         1.096526
BFGS:    4 16:16:16      -38.385954         0.888443
BFGS:    5 16:16:16      -38.422061         0.729385
BFGS:    6 16:16:16      -38.439375         0.164057
BFGS:    7 16:16:16      -38.440241         0.058636
BFGS:    8 16:16:16      -38.440456         0.052537
BFGS:    9 16:16:16      -38.440646         0.045001
BFGS:   10 16:16:16      -38.440919         0.044942
BFGS:   11 16:16:16      -38.441021         0.021802
BFGS:   12 16:16:16      -38.441038         0.003610
BFGS:   13 16:16:16      -38.441039         0.000215
BFGS:   14 16:16:16      -38.441039         0.000015
BFGS:   15 16:16:16      -38.441039         0.000001
BFGS:   16 16:16:16      -38.441039         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.028166349344202e-08 eV/Angstrom
Maximum stress component: 4.219527943769753e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[1.64571516e-35 5.00000000e-01 6.09418867e-01]
 [5.00000000e-01 0.00000000e+00 1.09418867e-01]
 [0.00000000e+00 5.00000000e-01 3.90581133e-01]
 [5.00000000e-01 4.92433135e-33 8.90581133e-01]
 [4.49978319e-35 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 1.96973254e-33 7.50000000e-01]]
cellpar =  Cell([[3.128838916749854, -1.0686499020049421e-35, 5.079529418104706e-32], [-7.184777188251255e-36, 3.128838916749854, 1.0011126367354502e-17], [7.649332800354345e-33, 2.1732174905555622e-17, 6.657922324693746]])
forces =  [[-9.64147931e-33 -3.35604560e-26 -1.02816635e-08]
 [-1.18126740e-41 -3.35604536e-26 -1.02816635e-08]
 [-4.82073964e-33  3.35604560e-26  1.02816635e-08]
 [ 1.18126740e-41  3.35604560e-26  1.02816635e-08]
 [-1.54263669e-31  1.54263669e-31  4.93586638e-49]
 [-3.08527338e-31 -3.08527338e-31 -9.87173276e-49]]
stress =  [ 4.31032449e-11  4.31032449e-11 -4.21952794e-10 -7.32197130e-27
 -2.24464905e-42  1.27019250e-62]
energy per atom =  -6.406839796559485
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0