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_ErhartAlbe_2005SiII_SiC__MO_408791041969_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 11:27:09      -50.702044         0.260238
BFGS:    1 11:27:09      -50.704781         0.216866
BFGS:    2 11:27:09      -50.707833         0.145247
BFGS:    3 11:27:09      -50.710006         0.175364
BFGS:    4 11:27:09      -50.712463         0.148778
BFGS:    5 11:27:09      -50.713231         0.058759
BFGS:    6 11:27:10      -50.713367         0.013188
BFGS:    7 11:27:10      -50.713376         0.007864
BFGS:    8 11:27:10      -50.713379         0.007312
BFGS:    9 11:27:10      -50.713383         0.006507
BFGS:   10 11:27:10      -50.713388         0.007899
BFGS:   11 11:27:10      -50.713391         0.004803
BFGS:   12 11:27:10      -50.713392         0.001207
BFGS:   13 11:27:10      -50.713392         0.000109
BFGS:   14 11:27:10      -50.713392         0.000019
BFGS:   15 11:27:10      -50.713392         0.000008
BFGS:   16 11:27:10      -50.713392         0.000002
BFGS:   17 11:27:10      -50.713392         0.000000
BFGS:   18 11:27:10      -50.713392         0.000000
BFGS:   19 11:27:10      -50.713392         0.000000
Minimization converged after 19 steps.
Maximum force component: 3.853329017100684e-09 eV/Angstrom
Maximum stress component: 2.753707597890397e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.15979772e-35 1.13465716e-35 1.82590624e-09]
 [0.00000000e+00 2.57041996e-35 5.00000002e-01]
 [3.33333333e-01 6.66666667e-01 7.50000002e-01]
 [6.66666667e-01 3.33333333e-01 2.50000002e-01]
 [0.00000000e+00 1.67621095e-36 1.87500002e-01]
 [7.97911752e-37 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([[3.08251038495119, 4.198580478439309e-19, -5.015813323595612e-39], [-1.541255192475595, 2.669532300797079, -1.16380809783854e-38], [8.906430281789732e-37, 1.4936941577683824e-36, 10.06743676026578]])
forces =  [[ 3.03958992e-31 -1.75490806e-31 -1.34962943e-09]
 [-6.58577815e-31  4.38727014e-31 -1.34962943e-09]
 [ 4.55938487e-31 -8.77454028e-32  3.85332902e-09]
 [-4.05278655e-31  3.50981611e-31  3.85332902e-09]
 [ 4.05278655e-31 -3.85785619e-46 -2.60055115e-09]
 [-1.26649580e-31  2.19363507e-31 -2.60055115e-09]
 [-5.06598319e-31  1.75490806e-31  9.68508468e-11]
 [ 4.55938487e-31 -8.77454028e-32  9.68508468e-11]]
stress =  [ 1.24701147e-10  1.24701147e-10  2.75370760e-10  6.11512172e-34
 -1.05917015e-33  3.48828910e-28]
energy per atom =  -6.339174030322802
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0