element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mP12_6_2a2b2c_2a2b
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7', 'x8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.3728', '1.0527472', '0.92179124', '108.6416', '0.77475755', '0.70971543', '0.51267053', '0.15052198', '0.77393292', '0.041369096', '0.48716754', '0.47040168', '0.30313307', '0.099947193', '0.7862093', '0.64365811', '0.97245935', '0.98791849', '0.46239171', '0.45649034', '0.35724704', '0.24558958', '0.54383764', '0.89788197', '0.73755617', '0.1401012']
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', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.29028457 0.         0.77475755]
 [0.84947802 0.         0.51267053]
 [0.90005281 0.5        0.30313307]
 [0.35634189 0.5        0.7862093 ]
 [0.45616236 0.24558958 0.35724704]
 [0.8598988  0.73755617 0.89788197]
 [0.9586309  0.         0.77393292]
 [0.52959832 0.         0.48716754]
 [0.01208151 0.5        0.97245935]
 [0.54350966 0.5        0.46239171]]
spacegroup =  6
cell =  [[4.9526, 0, 0], [0, 5.6562, 0], [1.7174013305719, 0, 5.0909245240673]]
=========================================