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 15:46:18      -36.012757         0.011262
BFGS:    1 15:46:18      -36.012763         0.011172
BFGS:    2 15:46:18      -36.013095         0.000061
BFGS:    3 15:46:18      -36.013095         0.000000
BFGS:    4 15:46:18      -36.013095         0.000000
Minimization converged after 4 steps.
Maximum force component: 7.655533792057476e-32 eV/Angstrom
Maximum stress component: 5.414480237593259e-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 1.09603264e-42 1.00000000e+00]
 [1.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]
 [5.00000000e-01 1.28395332e-33 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([[7.453088261045109, -2.7563409430905995e-34, -7.576287472232754e-35], [-6.566218851704964e-41, 7.453088261045109, -3.921146392159323e-23], [2.000875728860539e-34, -3.9211463922144495e-23, 7.453088261045109]])
forces =  [[-1.14833007e-32  1.53110676e-32 -7.65553379e-33]
 [ 7.65553379e-33 -1.53110676e-32  8.05531014e-56]
 [ 7.65553379e-33 -1.91388345e-32  1.53110676e-32]
 [-7.65553379e-33  1.91388345e-32 -5.74165034e-33]
 [-1.91388345e-32  1.53110676e-32  1.53110676e-32]
 [ 2.29666014e-32  3.82776690e-33 -9.56941724e-33]
 [-7.65553379e-33 -2.29666014e-32  1.20829652e-55]
 [ 1.14833007e-32  3.82776690e-33  3.82776690e-33]
 [ 1.14833007e-32  7.65553379e-33 -3.82776690e-32]
 [-1.14833007e-32 -1.14833007e-32 -4.01915524e-32]
 [-3.06221352e-32 -2.29666014e-32 -7.65553379e-33]
 [ 7.65553379e-33 -2.29666014e-32  2.29666014e-32]
 [-7.65553379e-33 -7.65553379e-33  4.02765507e-56]
 [ 1.91388345e-32  1.14833007e-32  2.67943683e-32]
 [-7.27275710e-32 -7.65553379e-33 -3.06221352e-32]
 [ 1.14833007e-32  1.53110676e-32  7.65553379e-33]
 [-4.01915524e-32 -4.78470862e-32  7.65553379e-33]
 [-1.91388345e-33 -7.65553379e-33 -1.53110676e-32]
 [-5.35887365e-32 -3.06221352e-32 -6.12442703e-32]
 [ 1.53110676e-32  2.87082517e-33 -1.91388345e-32]
 [ 1.53110676e-32 -3.06221352e-32  9.56941724e-33]
 [ 3.82776690e-32 -1.53110676e-32 -7.65553379e-32]
 [ 1.96173053e-32 -4.35408484e-32  6.69859207e-32]
 [ 3.06221352e-32 -2.87082517e-32  1.53110676e-32]]
stress =  [5.41448024e-13 5.41448024e-13 5.41448024e-13 8.14850226e-30
 3.69825353e-35 3.02804802e-51]
energy per atom =  -1.5005456405900128
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0