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_NakanoKaliaVashishta_1994_SiO__SM_503555646986_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     -181.613637         0.166054
BFGS:    1 15:46:18     -181.614793         0.158956
BFGS:    2 15:46:19     -181.627522         0.011415
BFGS:    3 15:46:19     -181.627589         0.000163
BFGS:    4 15:46:19     -181.627589         0.000000
BFGS:    5 15:46:19     -181.627589         0.000000
Minimization converged after 5 steps.
Maximum force component: 8.294277773510068e-31 eV/Angstrom
Maximum stress component: 1.4637901316000457e-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 5.77778983e-33 1.00000000e+00]
 [1.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]
 [5.00000000e-01 2.85037631e-32 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([[7.476797296390897, -6.288640420091447e-35, -2.2488866026269088e-36], [-3.64584788641224e-35, 7.476797296390897, -4.582384504652539e-24], [9.785798526332204e-37, -4.5823845046525445e-24, 7.476797296390897]])
forces =  [[-2.61116152e-31 -2.15036831e-31  6.14390946e-32]
 [ 6.45110493e-31  7.06549588e-31  9.21586419e-32]
 [-3.53274794e-31  3.37915020e-31 -4.99192644e-32]
 [-3.07195473e-32 -9.21586419e-32  9.21586419e-32]
 [-1.68957510e-31  7.29589249e-32 -2.45862726e-31]
 [-4.30073662e-31  3.07195473e-31  5.52951852e-31]
 [-1.22878189e-31  2.45756378e-31  6.14390946e-32]
 [-1.53597737e-31 -1.76637397e-31  1.15198302e-32]
 [ 4.91512757e-31 -7.37269135e-31 -1.22878189e-31]
 [-4.30073662e-31  1.22878189e-31  6.14390946e-31]
 [-4.30073662e-31 -6.14390946e-32  2.15036831e-31]
 [-3.37915020e-31  2.15036831e-31 -1.31791916e-55]
 [-1.53597737e-31 -1.22878189e-31  1.38237963e-31]
 [ 3.18715303e-31  8.29427777e-31 -3.35035063e-31]
 [ 1.84317284e-31 -5.52951852e-31 -3.07195473e-32]
 [-2.15036831e-31 -2.15036831e-31  1.22878189e-31]
 [ 9.21586419e-32 -4.47151144e-56  7.29589249e-32]
 [-3.07195473e-32  7.67988683e-32  1.22878189e-31]
 [ 1.53597737e-31  4.99192644e-32 -7.67988683e-32]
 [ 1.53597737e-32 -1.99677058e-31 -2.45756378e-31]
 [ 2.53436265e-31 -3.83994341e-31  8.06388117e-32]
 [ 2.30396605e-31  4.15673875e-31 -3.68634568e-31]
 [ 8.44787551e-32  3.60954681e-31 -6.91189814e-32]
 [ 1.34398019e-32 -1.09438387e-31  3.59994695e-31]]
stress =  [-1.46379013e-13 -1.46379013e-13 -1.46379013e-13 -1.23780157e-30
  3.94081868e-65 -4.79384643e-65]
energy per atom =  -7.567816222524666
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0