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 16:34:10      -51.378399         0.058156
BFGS:    1 16:34:11      -51.378541         0.055713
BFGS:    2 16:34:11      -51.380133         0.000456
BFGS:    3 16:34:11      -51.380133         0.000004
BFGS:    4 16:34:11      -51.380133         0.000000
Minimization converged after 4 steps.
Maximum force component: 3.822604543628222e-30 eV/Angstrom
Maximum stress component: 9.375627901407182e-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 7.32521227e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [6.34307185e-51 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 3.66260613e-33 7.50000000e-01]
 [5.00000000e-01 3.66260613e-33 2.50000000e-01]]
cellpar =  Cell([[6.741880965795441, -1.9806366040329153e-33, -1.0846844928686167e-34], [3.0467974178802786e-34, 6.741880965795441, 5.179522563868361e-24], [-5.254382969961559e-35, 5.179522465401655e-24, 6.741880965795441]])
forces =  [[ 6.75188303e-32 -1.03875123e-32  3.46250412e-32]
 [ 9.69501152e-32  6.92500823e-33  2.77000329e-32]
 [ 2.07750247e-32  2.99160356e-30  9.52188632e-33]
 [ 1.03875123e-32 -3.82260454e-30 -6.92500823e-33]
 [ 9.95469933e-33  4.15500494e-32 -3.80875453e-30]
 [ 8.65626029e-34  3.46250412e-33  2.88080342e-30]
 [ 8.65626029e-33 -1.19110142e-30 -6.92500823e-33]
 [ 2.33719028e-32  1.24650148e-30  6.92500823e-33]
 [ 8.58701021e-31  6.92500823e-33  2.98640980e-32]
 [ 1.38500165e-31 -1.03875123e-32  9.52188632e-33]
 [ 6.92500823e-33  1.73125206e-32 -4.98600593e-31]
 [-3.34149751e-66  1.29843904e-33  4.36275519e-31]]
stress =  [-9.37562790e-12 -9.37562790e-12 -9.37562790e-12 -1.03052502e-28
  1.80786934e-34  4.52197470e-51]
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