element(s):
['O', 'Si']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5839']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[4.5839, 0, 0], [0, 4.5839, 0], [0, 0, 4.5839]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:11:36      -68.098914         1.973126
BFGS:    1 16:11:36      -68.262794         1.902478
BFGS:    2 16:11:36      -68.538465         1.772027
BFGS:    3 16:11:36      -68.794064         1.634809
BFGS:    4 16:11:36      -69.028557         1.490583
BFGS:    5 16:11:36      -69.240875         1.339097
BFGS:    6 16:11:36      -69.429910         1.180096
BFGS:    7 16:11:36      -69.594515         1.013312
BFGS:    8 16:11:36      -69.733501         0.838472
BFGS:    9 16:11:36      -69.845640         0.655294
BFGS:   10 16:11:36      -69.929658         0.463486
BFGS:   11 16:11:36      -69.984239         0.262746
BFGS:   12 16:11:36      -70.008020         0.052765
BFGS:   13 16:11:36      -70.008988         0.001490
BFGS:   14 16:11:36      -70.008989         0.000008
BFGS:   15 16:11:36      -70.008989         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.4471003238190986e-31 eV/Angstrom
Maximum stress component: 1.703568352475085e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.96239633e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.76756947e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.358368875589357, 1.1403775482787034e-32, 4.639086622587787e-33], [-1.4755372957051473e-33, 4.358368875589357, -7.93235675585596e-18], [5.8517895860768186e-33, -7.93235675585596e-18, 4.358368875589357]])
forces =  [[ 3.13372757e-32  1.29825856e-31 -1.11918842e-31]
 [ 8.72966965e-32  5.33013484e-32  5.37210440e-32]
 [-4.25291598e-32  1.43256117e-31 -3.44710032e-31]
 [ 5.37210440e-32  6.04361745e-32  1.16395595e-31]
 [-1.29825856e-31  4.02907830e-32 -1.25349103e-31]
 [-2.10407422e-31  5.48402324e-32  8.56179139e-32]
 [-1.72914610e-31  6.71513050e-32  3.03300061e-31]
 [-5.03634788e-32 -8.95350733e-33 -1.00726958e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.70356835e-10  1.70356835e-10  1.70356835e-10  4.38242810e-26
 -6.48892106e-34 -4.89149031e-50]
energy per atom =  -5.834082394610745
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0