element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tI12_122_d_a
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0585', '1.4508649', '0.91281159']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.91281159 0.25       0.125     ]
 [0.         0.         0.        ]]
spacegroup =  122
cell =  [[5.0585, 0, 0], [0, 5.0585, 0], [0, 0, 7.3392]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:47:04      -80.299984         0.434086
BFGS:    1 13:47:04      -80.313872         0.392495
BFGS:    2 13:47:04      -80.344059         0.201345
BFGS:    3 13:47:04      -80.344920         0.195038
BFGS:    4 13:47:04      -80.355121         0.132778
BFGS:    5 13:47:04      -80.361750         0.080406
BFGS:    6 13:47:04      -80.364864         0.058203
BFGS:    7 13:47:04      -80.365127         0.057266
BFGS:    8 13:47:04      -80.365295         0.054455
BFGS:    9 13:47:04      -80.366257         0.039081
BFGS:   10 13:47:04      -80.367781         0.059391
BFGS:   11 13:47:04      -80.370607         0.074345
BFGS:   12 13:47:04      -80.373452         0.060233
BFGS:   13 13:47:04      -80.374880         0.025238
BFGS:   14 13:47:04      -80.375152         0.004731
BFGS:   15 13:47:04      -80.375168         0.000321
BFGS:   16 13:47:04      -80.375168         0.000051
BFGS:   17 13:47:04      -80.375168         0.000010
BFGS:   18 13:47:04      -80.375168         0.000001
BFGS:   19 13:47:04      -80.375168         0.000000
BFGS:   20 13:47:04      -80.375168         0.000000
BFGS:   21 13:47:04      -80.375168         0.000000
Minimization converged after 21 steps.
Maximum force component: 6.6110273679032e-10 eV/Angstrom
Maximum stress component: 4.172646029707088e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[9.09633721e-01 2.50000000e-01 1.25000000e-01]
 [9.03662791e-02 7.50000000e-01 1.25000000e-01]
 [2.50000000e-01 9.03662791e-02 8.75000000e-01]
 [7.50000000e-01 9.09633721e-01 8.75000000e-01]
 [5.90366279e-01 2.50000000e-01 6.25000000e-01]
 [4.09633721e-01 7.50000000e-01 6.25000000e-01]
 [7.50000000e-01 5.90366279e-01 3.75000000e-01]
 [2.50000000e-01 4.09633721e-01 3.75000000e-01]
 [0.00000000e+00 0.00000000e+00 3.08148791e-33]
 [5.00000000e-01 9.19140488e-34 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.54074396e-33 5.00000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.028863300030358, 1.4866344079241395e-37, 1.3586511670431502e-38], [-4.2763301880141285e-38, 5.028863300030358, 8.097834369742293e-18], [9.8427231647317e-39, 1.1160192996126544e-17, 7.562236790025261]])
forces =  [[-6.61102737e-10 -1.95435433e-47 -1.78610543e-48]
 [ 6.61102737e-10 -1.23971052e-31  1.86423530e-31]
 [-1.43341529e-31  6.61102737e-10  1.06397221e-27]
 [ 5.62173482e-48 -6.61102737e-10 -1.06455478e-27]
 [ 6.61102737e-10 -1.85956578e-31  1.39817647e-31]
 [-6.61102737e-10 -1.95435433e-47 -1.78610543e-48]
 [-1.85956578e-31  6.61102737e-10  1.06446157e-27]
 [-1.23971052e-31 -6.61102737e-10 -1.06458973e-27]
 [-2.47942103e-31 -7.32967353e-69 -6.69866743e-70]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.47942103e-31 -7.32967353e-69 -6.69866743e-70]]
stress =  [-4.17264603e-11 -4.17264603e-11 -2.39766718e-11  4.22389684e-27
 -1.45640515e-34  1.62302491e-50]
energy per atom =  -6.697930649329545
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0