element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mC72_5_12c_ab5c
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y1', 'y2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['13.7426', '1.002605', '0.71075342', '89.8996', '0.71156954', '0.28756338', '0.25617484', '0.73251933', '0.23106435', '0.23531536', '0.56074042', '0.12381794', '0.76451479', '0.43851711', '0.62485211', '0.93875667', '0.23596385', '0.37578981', '0.060525646', '0.76404866', '0.8756396', '0.082452743', '0.65891552', '0.095317351', '0.91822479', '0.34117668', '0.59537201', '0.34205783', '0.58297604', '0.34701327', '0.65845888', '0.41729957', '0.84606861', '0.232347', '0.74379602', '0.98082004', '0.7676371', '0.25583288', '0.47998259', '0.74384278', '0.2681329', '0.73036111', '0.71153792', '0.50047257', '0.75024911', '0.17378943', '0.79913936', '0.85728546', '0.82678334', '0.20134132', '0.35751208', '0.79986798', '0.3255678', '0.60703473', '0.20053519', '0.6739935', '0.10833149']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[2.4382516e-01 2.3251933e-01 7.6893565e-01]
 [2.6468464e-01 6.0740420e-02 8.7618206e-01]
 [7.3548521e-01 9.3851711e-01 3.7514789e-01]
 [5.6124333e-01 7.3596385e-01 6.2421019e-01]
 [4.3947435e-01 2.6404866e-01 1.2436040e-01]
 [4.1754726e-01 1.5891552e-01 9.0468265e-01]
 [5.8177521e-01 8.4117668e-01 4.0462799e-01]
 [1.5794217e-01 8.2976040e-02 6.5298673e-01]
 [8.4154112e-01 9.1729957e-01 1.5393139e-01]
 [2.6765300e-01 2.4379602e-01 1.9179960e-02]
 [7.3236290e-01 7.5583288e-01 5.2001741e-01]
 [7.5615722e-01 7.6813290e-01 2.6963889e-01]
 [0.0000000e+00 7.1156954e-01 0.0000000e+00]
 [0.0000000e+00 2.8756338e-01 5.0000000e-01]
 [7.8846208e-01 4.7257000e-04 2.4975089e-01]
 [3.2621057e-01 2.9913936e-01 1.4271454e-01]
 [6.7321666e-01 7.0134132e-01 6.4248792e-01]
 [7.0013202e-01 8.2556780e-01 3.9296527e-01]
 [2.9946481e-01 1.7399350e-01 8.9166851e-01]]
spacegroup =  5
cell =  [[13.7426, 0, 0], [0, 13.7784, 0], [0.017115859954477, 0, 9.767585003845]]
=========================================