element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP6_136_f_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:
['4.2324', '0.63647103', '0.30675261']
model name:
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.30675261 0.30675261 0.        ]
 [0.         0.         0.        ]]
spacegroup =  136
cell =  [[4.2324, 0, 0], [0, 4.2324, 0], [0, 0, 2.6938]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:28:23      -33.542465         3.390044
BFGS:    1 16:28:23      -33.953663         2.990915
BFGS:    2 16:28:23      -34.276940         2.589765
BFGS:    3 16:28:23      -34.534292         2.246447
BFGS:    4 16:28:23      -34.742792         1.971498
BFGS:    5 16:28:23      -34.910913         1.671357
BFGS:    6 16:28:23      -35.045581         1.415847
BFGS:    7 16:28:23      -35.153917         1.213174
BFGS:    8 16:28:23      -35.249383         1.062360
BFGS:    9 16:28:23      -35.344407         0.952107
BFGS:   10 16:28:23      -35.444412         1.138742
BFGS:   11 16:28:23      -35.567167         1.419380
BFGS:   12 16:28:23      -35.743821         1.749082
BFGS:   13 16:28:23      -36.017854         2.103830
BFGS:   14 16:28:23      -36.417099         2.336741
BFGS:   15 16:28:23      -36.880799         2.183577
BFGS:   16 16:28:23      -37.254214         1.391034
BFGS:   17 16:28:23      -37.409522         0.666812
BFGS:   18 16:28:23      -37.420638         0.606040
BFGS:   19 16:28:23      -37.446814         0.446105
BFGS:   20 16:28:23      -37.467542         0.314766
BFGS:   21 16:28:23      -37.481155         0.200658
BFGS:   22 16:28:23      -37.487277         0.178160
BFGS:   23 16:28:23      -37.488640         0.214032
BFGS:   24 16:28:24      -37.491207         0.244035
BFGS:   25 16:28:24      -37.496149         0.247101
BFGS:   26 16:28:24      -37.502285         0.181559
BFGS:   27 16:28:24      -37.506079         0.070372
BFGS:   28 16:28:24      -37.507060         0.016929
BFGS:   29 16:28:24      -37.507158         0.003164
BFGS:   30 16:28:24      -37.507161         0.001268
BFGS:   31 16:28:24      -37.507161         0.000348
BFGS:   32 16:28:24      -37.507161         0.000029
BFGS:   33 16:28:24      -37.507161         0.000003
BFGS:   34 16:28:24      -37.507161         0.000000
BFGS:   35 16:28:24      -37.507161         0.000000
Minimization converged after 35 steps.
Maximum force component: 4.472689337821356e-09 eV/Angstrom
Maximum stress component: 2.610573100454147e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Si', 'Si']
basis =  [[0.24495769 0.24495769 0.        ]
 [0.75504231 0.75504231 0.        ]
 [0.25504231 0.74495769 0.5       ]
 [0.74495769 0.25504231 0.5       ]
 [0.         0.         0.        ]
 [0.5        0.5        0.5       ]]
cellpar =  Cell([[4.499328343612337, -3.8563888082430963e-35, 2.2775706363778958e-32], [3.0203777411244585e-35, 4.499328343612337, -2.1900308429220173e-17], [2.64160553567949e-32, -1.358793914450181e-17, 3.2308178467259565]])
forces =  [[-4.47268934e-09 -4.47268934e-09  2.17705445e-26]
 [ 4.47268934e-09  4.47268934e-09 -2.17707698e-26]
 [ 4.47268934e-09 -4.47268934e-09  2.17706441e-26]
 [-4.47268934e-09  4.47268934e-09 -2.17706951e-26]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 2.61057310e-10  2.61057310e-10  3.38574049e-11  2.57010467e-26
 -3.81568762e-33 -9.12576085e-49]
energy per atom =  -6.251193500932776
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0