element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tI12_122_d_a
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0585', '1.4508649', '0.91281159']
model name:
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.91281159 0.25       0.125     ]
 [0.         0.         0.        ]]
spacegroup =  122
cell =  [[5.0585, 0, 0], [0, 5.0585, 0], [0, 0, 7.3392]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:04:46      -91.260932         0.548987
BFGS:    1 16:04:46      -91.284576         0.455168
BFGS:    2 16:04:46      -91.324991         0.113415
BFGS:    3 16:04:46      -91.325456         0.116916
BFGS:    4 16:04:46      -91.335960         0.144691
BFGS:    5 16:04:46      -91.343433         0.121455
BFGS:    6 16:04:46      -91.349250         0.078234
BFGS:    7 16:04:46      -91.351939         0.025134
BFGS:    8 16:04:47      -91.352099         0.028068
BFGS:    9 16:04:47      -91.352151         0.030579
BFGS:   10 16:04:47      -91.352190         0.030548
BFGS:   11 16:04:47      -91.352335         0.027565
BFGS:   12 16:04:47      -91.352529         0.025138
BFGS:   13 16:04:47      -91.352726         0.016036
BFGS:   14 16:04:47      -91.352801         0.004693
BFGS:   15 16:04:47      -91.352811         0.000478
BFGS:   16 16:04:47      -91.352811         0.000081
BFGS:   17 16:04:47      -91.352811         0.000005
BFGS:   18 16:04:47      -91.352811         0.000000
BFGS:   19 16:04:47      -91.352811         0.000000
Minimization converged after 19 steps.
Maximum force component: 8.759848384859437e-10 eV/Angstrom
Maximum stress component: 4.583866216452609e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[9.11591222e-01 2.50000000e-01 1.25000000e-01]
 [8.84087779e-02 7.50000000e-01 1.25000000e-01]
 [2.50000000e-01 8.84087779e-02 8.75000000e-01]
 [7.50000000e-01 9.11591222e-01 8.75000000e-01]
 [5.88408778e-01 2.50000000e-01 6.25000000e-01]
 [4.11591222e-01 7.50000000e-01 6.25000000e-01]
 [7.50000000e-01 5.88408778e-01 3.75000000e-01]
 [2.50000000e-01 4.11591222e-01 3.75000000e-01]
 [1.62942673e-33 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.76801305e-34 5.00000000e-01 2.50000000e-01]]
cellpar =  Cell([[4.966782242048191, 4.100287697334171e-39, 4.470445661957688e-41], [-4.883065015346814e-38, 4.966782242048191, -4.688007904303242e-19], [9.800925956326415e-39, -7.03676072241646e-19, 7.432058976243902]])
forces =  [[-8.75984838e-10 -6.97141906e-49 -2.74821599e-31]
 [ 8.75984838e-10  2.44881271e-31 -1.23669719e-30]
 [-1.22440635e-31  8.75984838e-10 -8.48803504e-29]
 [ 8.61219742e-48 -8.75984838e-10  8.35062424e-29]
 [ 8.75984838e-10 -4.89762542e-31 -1.46571519e-30]
 [-8.75984838e-10 -7.23162338e-49 -7.88446610e-51]
 [-9.79525084e-31  8.75984838e-10 -8.32314208e-29]
 [ 2.44881271e-31 -8.75984838e-10  8.22237416e-29]
 [ 4.59152383e-31  8.67347724e-51 -9.16071996e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.89762542e-31 -6.93878179e-50  7.32857596e-31]
 [-9.18304766e-32 -7.58099218e-71 -8.26537456e-73]]
stress =  [-3.96641896e-11 -3.96641896e-11  4.58386622e-11 -2.53672942e-27
  1.87656510e-49  1.41781138e-64]
energy per atom =  -7.612734265888836
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0