element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mC72_12_gh2i4j_3j
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y1', 'y2', 'x3', 'z3', 'x4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['14.178', '0.97388912', '0.53089293', '77.5653', '0.85547657', '0.75914073', '0.90156947', '0.88940569', '0.73338116', '0.38911088', '0.81119318', '0.87188646', '0.13432788', '0.37403541', '0.31896317', '0.79550105', '0.67100394', '0.82070635', '0.41129064', '0.84664328', '0.86136549', '0.46695906', '0.39701308', '0.38718031', '0.95531743', '0.76595522', '0.88793193', '0.34995355', '0.38750062', '0.28026395', '0.5883036']
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', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.85547657 0.        ]
 [0.         0.75914073 0.5       ]
 [0.09843053 0.         0.11059431]
 [0.26661884 0.         0.61088912]
 [0.18880682 0.87188646 0.86567212]
 [0.62596459 0.31896317 0.20449895]
 [0.32899606 0.82070635 0.58870936]
 [0.15335672 0.86136549 0.53304094]
 [0.60298692 0.38718031 0.04468257]
 [0.23404478 0.88793193 0.65004645]
 [0.61249938 0.28026395 0.4116964 ]]
spacegroup =  12
cell =  [[14.178, 0, 0], [0, 13.8078, 0], [1.6207647411772, 0, 7.3504320045666]]
=========================================