element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP12_194_cg_f
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2773', '1.629337', '0.43768244']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.5        0.         0.        ]
 [0.33333333 0.66666667 0.43768244]]
spacegroup =  194
cell =  [[5.2773, 0, 0], [-2.63865, 4.5702758633916, 0], [0, 0, 8.5985]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 19:09:39      -78.443383        0.7745
BFGS:    1 19:09:39      -78.467097        0.7265
BFGS:    2 19:09:39      -78.558740        0.5388
BFGS:    3 19:09:39      -78.624409        0.3645
BFGS:    4 19:09:39      -78.664811        0.1983
BFGS:    5 19:09:39      -78.680858        0.0389
BFGS:    6 19:09:39      -78.681240        0.0113
BFGS:    7 19:09:39      -78.681243        0.0105
BFGS:    8 19:09:39      -78.681265        0.0086
BFGS:    9 19:09:39      -78.681295        0.0098
BFGS:   10 19:09:39      -78.681334        0.0078
BFGS:   11 19:09:39      -78.681354        0.0032
BFGS:   12 19:09:39      -78.681358        0.0008
BFGS:   13 19:09:39      -78.681358        0.0001
BFGS:   14 19:09:39      -78.681358        0.0000
BFGS:   15 19:09:39      -78.681358        0.0000
BFGS:   16 19:09:39      -78.681358        0.0000
BFGS:   17 19:09:39      -78.681358        0.0000
Minimization converged after 17 steps.
Maximum force component: 5.595190019636042e-09 eV/Angstrom
Maximum stress component: 1.0242085977590175e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [4.99999997e-01 3.33333335e-09 0.00000000e+00]
 [9.99999997e-01 5.00000003e-01 1.78647440e-54]
 [4.99999997e-01 5.00000003e-01 0.00000000e+00]
 [4.99999997e-01 3.33333335e-09 5.00000000e-01]
 [9.99999997e-01 5.00000003e-01 5.00000000e-01]
 [4.99999997e-01 5.00000003e-01 5.00000000e-01]
 [3.33333330e-01 6.66666670e-01 4.37500000e-01]
 [6.66666663e-01 3.33333337e-01 9.37500000e-01]
 [6.66666663e-01 3.33333337e-01 5.62500000e-01]
 [3.33333330e-01 6.66666670e-01 6.25000000e-02]]
cellpar =  Cell([[5.368226825006174, -2.2656143414956364e-19, 5.157308101823457e-38], [-2.684113412503087, 4.6490208037324265, -8.830976109801396e-38], [-2.536366537888261e-37, 2.6732505791436534e-36, 8.766277696526233]])
forces =  [[ 4.41123362e-32 -7.64048075e-32  1.45133579e-69]
 [-7.16825463e-32  4.77530047e-32  2.88140573e-31]
 [ 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]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.05869607e-30  6.11238460e-31 -5.59519002e-09]
 [ 8.82246723e-32 -1.52809615e-31 -5.59519002e-09]
 [ 1.27925775e-30  2.29214422e-31  5.59519002e-09]
 [-7.71965883e-32 -1.70000697e-30  5.59519002e-09]]
stress =  [-3.50389867e-11 -3.50389867e-11  1.02420860e-10 -4.83909033e-33
  6.09999251e-47  5.40769252e-27]
energy per atom =  -6.556779829220335
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0