element(s):
['O', 'Si']
AFLOW prototype label:
A2B_cF12_225_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:
['4.5839']
model name:
Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[4.5839, 0, 0], [0, 4.5839, 0], [0, 0, 4.5839]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:46:38      -71.943974        5.2770
BFGS:    1 14:46:38      -72.712761        4.9791
BFGS:    2 14:46:38      -73.438120        4.6807
BFGS:    3 14:46:38      -74.112668        4.3152
BFGS:    4 14:46:38      -74.733224        3.9607
BFGS:    5 14:46:38      -75.301390        3.6165
BFGS:    6 14:46:38      -75.818678        3.2822
BFGS:    7 14:46:38      -76.286747        2.9734
BFGS:    8 14:46:38      -76.715415        2.7435
BFGS:    9 14:46:38      -77.110148        2.5208
BFGS:   10 14:46:38      -77.472009        2.3051
BFGS:   11 14:46:38      -77.802002        2.0959
BFGS:   12 14:46:38      -78.101075        1.8928
BFGS:   13 14:46:38      -78.370125        1.6955
BFGS:   14 14:46:38      -78.610007        1.5049
BFGS:   15 14:46:38      -78.824418        1.3547
BFGS:   16 14:46:38      -79.016591        1.2040
BFGS:   17 14:46:38      -79.183840        1.0268
BFGS:   18 14:46:38      -79.324874        0.8544
BFGS:   19 14:46:38      -79.440383        0.6865
BFGS:   20 14:46:38      -79.531035        0.5230
BFGS:   21 14:46:38      -79.597485        0.3638
BFGS:   22 14:46:38      -79.640420        0.2116
BFGS:   23 14:46:38      -79.661760        0.0736
BFGS:   24 14:46:38      -79.664766        0.0017
BFGS:   25 14:46:38      -79.664768        0.0000
BFGS:   26 14:46:38      -79.664768        0.0000
Minimization converged after 26 steps.
Maximum force component: 2.6420479835826406e-30 eV/Angstrom
Maximum stress component: 2.640745660071202e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.43725997e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.59135787e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.033621861027796, -1.0330884442398129e-32, 2.997648219748784e-32], [-4.78812376197213e-32, 5.033621861027796, 8.860827932063316e-18], [-7.622247192625797e-33, 8.860827932063351e-18, 5.033621861027796]])
forces =  [[ 1.75791842e-31  2.64204798e-30  3.72265078e-31]
 [ 3.30902291e-31 -2.05779863e-30  8.47937122e-31]
 [-1.03406966e-32  2.47659684e-30 -6.51463886e-31]
 [ 5.68738313e-31 -2.00609514e-30  1.03406966e-32]
 [-2.94709853e-31  2.37836022e-30  2.06813932e-31]
 [-5.17034830e-32 -1.15815802e-30 -1.13747663e-30]
 [-3.10220898e-32 -1.14781732e-30  7.65211549e-31]
 [-3.61924381e-31  2.37836022e-30  2.99880202e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.64074566e-10 -2.64074566e-10 -2.64074566e-10 -3.76658220e-28
  1.29726296e-33 -4.56628246e-50]
energy per atom =  -6.638730640890587
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0