element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mC72_12_eg2i4j_3j
Parameter names:
['a', 'b/a', 'c/a', 'beta', '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:
['10.5087', '1.4540524', '0.85698516', '74.4859', '0.27536485', '0.12223681', '0.73167461', '0.23958963', '0.29191239', '0.31075054', '0.16404079', '0.22813733', '0.65417887', '0.66369309', '0.8032498', '0.44202604', '0.62047485', '0.71491182', '0.17844536', '0.12187397', '0.51140197', '0.64803849', '0.75614518', '0.89464549', '0.1961221', '0.10156914', '0.32940499', '0.59902499', '0.60145421', '0.6894754']
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 =  [[0.25       0.25       0.        ]
 [0.         0.27536485 0.        ]
 [0.87776319 0.         0.26832539]
 [0.76041037 0.         0.70808761]
 [0.68924946 0.16404079 0.77186267]
 [0.34582113 0.66369309 0.1967502 ]
 [0.55797396 0.62047485 0.28508818]
 [0.82155464 0.12187397 0.48859803]
 [0.35196151 0.75614518 0.10535451]
 [0.8038779  0.10156914 0.67059501]
 [0.40097501 0.60145421 0.3105246 ]]
spacegroup =  12
cell =  [[10.5087, 0, 0], [0, 15.2802, 0], [2.4088309405256, 0, 8.6776706056387]]
=========================================