element(s):
['Al', 'O', 'Si']
AFLOW prototype label:
A2B5C_mC32_15_f_e2f_c
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.4974', '0.49671489', '0.98349022', '138.3418', '0.56113283', '0.15614778', '0.76036384', '0.77290315', '0.21571172', '0.60725435', '0.64609976', '0.62089948', '0.42441267', '0.95217889']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'O', 'O', 'O', 'Si']
representative atom coordinates =  [[0.36675537 0.01036384 0.96060759]
 [0.         0.18886717 0.25      ]
 [0.18038804 0.85725435 0.71467632]
 [0.58127941 0.17441267 0.21037993]
 [0.         0.         0.        ]]
spacegroup =  15
cell =  [[13.1937, 0, 0], [0, 4.7175, 0], [-4.9917383922334, 0, 4.4692155725029]]
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