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_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== 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      -51.378399        0.0582
BFGS:    1 17:34:53      -51.378541        0.0557
BFGS:    2 17:34:53      -51.380133        0.0005
BFGS:    3 17:34:53      -51.380133        0.0000
BFGS:    4 17:34:53      -51.380133        0.0000
Minimization converged after 4 steps.
Maximum force component: 3.822604543628222e-30 eV/Angstrom
Maximum stress component: 9.375627901407187e-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 7.32511550e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [4.05956598e-49 5.00000000e-01 2.50000000e-01]
 [4.05956598e-49 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [8.11913197e-49 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 3.66233457e-33 7.50000000e-01]
 [5.00000000e-01 3.66255775e-33 2.50000000e-01]]
cellpar =  Cell([[6.741880965795441, 4.875576898619957e-33, 1.8875185833742024e-32], [-3.9917176042088767e-32, 6.741880965795441, 1.9536908263455675e-20], [-3.874314949803034e-33, 1.953690826337702e-20, 6.741880965795441]])
forces =  [[ 9.52188632e-32  1.38500165e-32 -6.92500823e-33]
 [ 1.38500165e-32 -1.38500165e-32 -4.01351644e-53]
 [-6.92500823e-33  3.04700362e-30  1.38500165e-32]
 [ 3.46250412e-33 -3.82260454e-30 -2.59687809e-33]
 [ 1.42828295e-32 -6.92500823e-33 -3.76720448e-30]
 [-7.79063426e-33  6.92500823e-33  2.71460323e-30]
 [ 1.73125206e-33 -1.16340138e-30 -3.37135381e-51]
 [-9.52188632e-33  1.21880145e-30  1.55812685e-32]
 [ 8.31000988e-32 -6.92500823e-33  2.16406507e-33]
 [ 2.77000329e-32  1.03875123e-32 -1.12531384e-32]
 [ 6.92500823e-33  1.73125206e-33 -5.81700691e-31]
 [-3.06485759e-64  6.05938220e-33  4.70900560e-31]]
stress =  [-9.37562790e-12 -9.37562790e-12 -9.37562790e-12  1.58888311e-27
  1.53668894e-33 -1.81371828e-49]
energy per atom =  -4.281677787920922
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0