element(s):
['O', 'Si']
AFLOW prototype label:
A2B_cF24_227_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:
['7.4593']
model name:
Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.    0.    0.   ]]
spacegroup =  227
cell =  [[7.4593, 0, 0], [0, 7.4593, 0], [0, 0, 7.4593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:12:33      -36.012757         0.011262
BFGS:    1 17:12:34      -36.012763         0.011172
BFGS:    2 17:12:34      -36.013095         0.000061
BFGS:    3 17:12:35      -36.013095         0.000000
BFGS:    4 17:12:35      -36.013095         0.000000
Minimization converged after 4 steps.
Maximum force component: 1.1626841946687293e-31 eV/Angstrom
Maximum stress component: 5.41593648296405e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [1.00000000e+00 0.00000000e+00 1.00000000e+00]
 [1.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]
 [5.00000000e-01 1.92592958e-34 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[7.45308826104511, -1.1025359542207175e-33, 1.4504958376560178e-39], [1.102536354680276e-33, 7.45308826104511, -6.987017064282249e-24], [2.6294511320904704e-34, -6.98701706428225e-24, 7.45308826104511]])
forces =  [[ 1.53110676e-32 -2.48804848e-32 -7.65553379e-33]
 [-3.68422564e-32 -6.50720372e-32 -1.14833007e-32]
 [ 4.01915524e-32  5.74165034e-32 -6.50720372e-32]
 [-4.21054359e-32 -2.29666014e-32 -2.15311888e-32]
 [-1.91388345e-33 -3.06221352e-32  3.63637855e-32]
 [ 3.82776690e-33 -2.87082517e-32 -3.06221352e-32]
 [ 7.65553379e-33  7.65553379e-33 -2.29666014e-32]
 [ 1.91388345e-33 -3.63637855e-32  4.01915524e-32]
 [-6.98567459e-32  9.95219393e-32 -4.97609696e-32]
 [ 1.24402424e-32 -3.06221352e-32 -1.91388345e-32]
 [ 3.06221352e-32 -7.65553379e-33 -8.42108717e-32]
 [ 3.06221352e-32  3.82776690e-32 -6.31581538e-32]
 [ 3.82776690e-33 -1.77034219e-32  1.72249510e-32]
 [-5.74165034e-32 -2.29666014e-32 -5.74165034e-32]
 [-5.74165034e-32 -7.65553379e-33 -1.16268419e-31]
 [-6.49875022e-66 -4.21054359e-32 -7.65553379e-33]
 [-7.65553379e-33 -7.65553379e-33 -2.29666014e-32]
 [ 7.65553379e-33  1.53110676e-32  1.53110676e-32]
 [ 7.65553379e-33 -1.53110676e-32  6.88998041e-32]
 [-1.53110676e-32  3.82776690e-32 -3.82776690e-32]
 [-2.67943683e-32 -4.40193193e-32  6.57897435e-33]
 [-2.29666014e-32  7.65553379e-33  2.10527179e-32]
 [-9.56941724e-33 -1.53110676e-32 -4.78470862e-32]
 [-1.14833007e-32  8.61247552e-33 -1.14833007e-32]]
stress =  [ 5.41593648e-13  5.41593648e-13  5.41593648e-13 -1.20258218e-28
  7.39650706e-35 -3.21610266e-57]
energy per atom =  -1.5005456405900144
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0