element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:34:53      -49.871671        0.1775
BFGS:    1 17:34:53      -49.872993        0.1699
BFGS:    2 17:34:53      -49.887414        0.0234
BFGS:    3 17:34:53      -49.887701        0.0006
BFGS:    4 17:34:53      -49.887701        0.0000
BFGS:    5 17:34:53      -49.887701        0.0000
Minimization converged after 5 steps.
Maximum force component: 4.6693948050509495e-30 eV/Angstrom
Maximum stress component: 6.4872648146883135e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.28833526e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [1.73416029e-37 5.00000000e-01 2.50000000e-01]
 [1.31675265e-36 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 4.09968858e-33 7.50000000e-01]
 [5.00000000e-01 3.58722751e-33 2.50000000e-01]]
cellpar =  Cell([[6.764755574086186, -8.014678078443311e-33, 1.5256167681183767e-32], [-8.603152290555903e-33, 6.764755574086186, -1.2366883970934662e-17], [-1.3682075410782482e-32, -1.2366883970934744e-17, 6.764755574086186]])
forces =  [[ 7.78232468e-31  1.38970083e-32  1.73712604e-32]
 [-2.77940167e-31  1.58785014e-50 -8.68563022e-33]
 [-1.73712604e-32 -4.66939481e-30  1.38970083e-32]
 [-1.73712604e-32  3.36307602e-30 -2.77940167e-32]
 [ 1.38970083e-32  3.47425209e-33  3.90505935e-30]
 [-2.77940167e-32 -8.68563022e-33 -1.94558117e-30]
 [-1.38970083e-32 -3.11292987e-30 -1.04227563e-32]
 [-1.38970083e-32  3.01565081e-30  1.04227563e-32]
 [ 1.04227563e-30 -6.94850417e-33  1.27028012e-50]
 [ 5.00292301e-31  1.73712604e-32  2.08455125e-32]
 [ 1.21598823e-32 -1.38970083e-32 -3.22410594e-30]
 [-1.04227563e-32 -5.89409973e-48  3.22410594e-30]]
stress =  [-6.48726481e-12 -6.48726481e-12 -6.48726481e-12 -3.94420404e-28
  7.18265445e-34  3.11896755e-50]
energy per atom =  -4.157308395789809
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0