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 16:11:35      -71.943974         5.276952
BFGS:    1 16:11:35      -72.712761         4.979069
BFGS:    2 16:11:35      -73.438120         4.680675
BFGS:    3 16:11:35      -74.112668         4.315186
BFGS:    4 16:11:35      -74.733224         3.960675
BFGS:    5 16:11:35      -75.301390         3.616543
BFGS:    6 16:11:35      -75.818678         3.282226
BFGS:    7 16:11:35      -76.286747         2.973365
BFGS:    8 16:11:35      -76.715415         2.743453
BFGS:    9 16:11:35      -77.110148         2.520835
BFGS:   10 16:11:35      -77.472009         2.305097
BFGS:   11 16:11:35      -77.802002         2.095859
BFGS:   12 16:11:35      -78.101075         1.892771
BFGS:   13 16:11:35      -78.370125         1.695511
BFGS:   14 16:11:35      -78.610007         1.504900
BFGS:   15 16:11:35      -78.824418         1.354691
BFGS:   16 16:11:35      -79.016591         1.203956
BFGS:   17 16:11:35      -79.183840         1.026833
BFGS:   18 16:11:35      -79.324874         0.854386
BFGS:   19 16:11:35      -79.440383         0.686467
BFGS:   20 16:11:35      -79.531035         0.522957
BFGS:   21 16:11:35      -79.597485         0.363762
BFGS:   22 16:11:35      -79.640420         0.211575
BFGS:   23 16:11:35      -79.661760         0.073630
BFGS:   24 16:11:35      -79.664766         0.001658
BFGS:   25 16:11:35      -79.664768         0.000014
BFGS:   26 16:11:36      -79.664768         0.000000
Minimization converged after 26 steps.
Maximum force component: 9.223901375169143e-30 eV/Angstrom
Maximum stress component: 2.6407397140167916e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]]
cellpar =  Cell([[5.033621861027798, -1.6959622101840516e-32, 8.167421235153834e-33], [-9.851615970608648e-33, 5.033621861027798, -2.28845133346892e-17], [-8.474430167453917e-33, -2.2884513334689194e-17, 5.033621861027798]])
forces =  [[-9.30662695e-31 -5.39784363e-30 -1.40633474e-30]
 [ 5.37716224e-31  5.70806453e-30 -3.30902291e-30]
 [-1.57178588e-30 -5.27375527e-30  1.86132539e-30]
 [-2.06813932e-32  5.41852502e-30 -5.45988781e-30]
 [-1.05475105e-30 -5.48056920e-30  1.98541375e-30]
 [ 5.79079010e-31  9.22390138e-30  1.34429056e-30]
 [-7.44530156e-31  8.27255729e-30 -1.36497195e-30]
 [ 4.13627864e-32 -4.94285298e-30  7.11439927e-30]
 [ 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 =  [-2.64073971e-10 -2.64073971e-10 -2.64073971e-10 -1.86304670e-27
 -2.85701852e-58 -2.83880794e-59]
energy per atom =  -6.63873064089059
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0