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 16:34:11      -49.871671         0.177520
BFGS:    1 16:34:11      -49.872993         0.169923
BFGS:    2 16:34:11      -49.887414         0.023391
BFGS:    3 16:34:11      -49.887701         0.000568
BFGS:    4 16:34:11      -49.887701         0.000002
BFGS:    5 16:34:11      -49.887701         0.000000
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 2.27760477e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [1.83119979e-37 2.50000000e-01 5.00000000e-01]
 [8.92028786e-38 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 3.41640715e-33 7.50000000e-01]
 [5.00000000e-01 3.64416763e-33 2.50000000e-01]]
cellpar =  Cell([[6.764755574086186, -1.2153906637151974e-32, 1.375304075707861e-32], [2.4294004141184064e-33, 6.764755574086186, -1.0321631156594867e-17], [2.1766935597160436e-32, -1.032163115659496e-17, 6.764755574086186]])
forces =  [[ 7.78232468e-31  1.38970083e-32  3.47425209e-33]
 [-2.77940167e-31  1.38970083e-32 -2.12039878e-50]
 [-1.72161800e-63 -4.66939481e-30 -1.38970083e-32]
 [-1.04227563e-32  3.34917901e-30 -5.11016105e-48]
 [ 1.38970083e-32  2.08455125e-32  3.90505935e-30]
 [-6.25966738e-63  1.73712604e-33 -1.94558117e-30]
 [-1.38970083e-32 -3.11292987e-30  6.94850417e-33]
 [ 1.38970083e-32  3.01565081e-30 -1.04227563e-32]
 [ 1.04227563e-30  2.08455125e-32 -3.18059816e-50]
 [ 5.00292301e-31  1.56341344e-32  2.08455125e-32]
 [-8.68563022e-33  6.94850417e-33 -3.22410594e-30]
 [ 5.21137813e-33 -4.91932516e-48  3.22410594e-30]]
stress =  [-6.48726481e-12 -6.48726481e-12 -6.48726481e-12 -2.35326671e-28
  7.18265445e-34  1.60336219e-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