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:
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_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 18:05:52      -91.260932        0.5490
BFGS:    1 18:05:52      -91.284576        0.4552
BFGS:    2 18:05:52      -91.324991        0.1134
BFGS:    3 18:05:52      -91.325456        0.1169
BFGS:    4 18:05:52      -91.335960        0.1447
BFGS:    5 18:05:52      -91.343433        0.1215
BFGS:    6 18:05:52      -91.349250        0.0782
BFGS:    7 18:05:52      -91.351939        0.0251
BFGS:    8 18:05:52      -91.352099        0.0281
BFGS:    9 18:05:52      -91.352151        0.0306
BFGS:   10 18:05:52      -91.352190        0.0305
BFGS:   11 18:05:52      -91.352335        0.0276
BFGS:   12 18:05:52      -91.352529        0.0251
BFGS:   13 18:05:52      -91.352726        0.0160
BFGS:   14 18:05:52      -91.352801        0.0047
BFGS:   15 18:05:52      -91.352811        0.0005
BFGS:   16 18:05:52      -91.352811        0.0001
BFGS:   17 18:05:52      -91.352811        0.0000
BFGS:   18 18:05:52      -91.352811        0.0000
BFGS:   19 18:05:52      -91.352811        0.0000
Minimization converged after 19 steps.
Maximum force component: 8.759876921060621e-10 eV/Angstrom
Maximum stress component: 4.58384368995102e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[9.11591222e-01 2.50000000e-01 1.25000000e-01]
 [8.84087779e-02 7.50000000e-01 1.25000000e-01]
 [2.50000000e-01 8.84087779e-02 8.75000000e-01]
 [7.50000000e-01 9.11591222e-01 8.75000000e-01]
 [5.88408778e-01 2.50000000e-01 6.25000000e-01]
 [4.11591222e-01 7.50000000e-01 6.25000000e-01]
 [7.50000000e-01 5.88408778e-01 3.75000000e-01]
 [2.50000000e-01 4.11591222e-01 3.75000000e-01]
 [5.23105440e-35 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]]
cellpar =  Cell([[4.966782242048189, -3.399602639143514e-38, -3.252134584761372e-39], [-1.7335291887686807e-38, 4.96678224204819, 2.8773914427438004e-18], [1.9523625586355513e-48, 4.265036957168826e-18, 7.432058976243903]])
forces =  [[-8.75987692e-10  1.95905017e-30  1.70850737e-48]
 [ 8.75987692e-10  3.42833779e-30  1.41255236e-48]
 [ 7.34643813e-31  8.75987692e-10  5.10231606e-28]
 [ 1.59172826e-30 -8.75987692e-10 -5.07483390e-28]
 [ 8.75987692e-10  1.95905017e-30 -7.32857596e-31]
 [-8.75987692e-10  1.46928763e-30  1.42477467e-48]
 [ 2.20393144e-30  8.75987692e-10  5.07483390e-28]
 [ 7.34643813e-31 -8.75987692e-10 -5.07116961e-28]
 [ 2.44881271e-31 -2.10282557e-48 -3.66428798e-30]
 [ 4.89762542e-31  2.44881271e-31 -1.46571519e-30]
 [ 8.54695878e-70 -2.44881271e-31 -1.46571519e-30]
 [ 3.57756232e-31  2.10282557e-48  3.66428798e-30]]
stress =  [-3.96644852e-11 -3.96644852e-11  4.58384369e-11 -2.24002550e-27
  3.73814687e-59 -2.13141826e-66]
energy per atom =  -7.612734265888839
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0