element(s):
['Al', 'O', 'Si']
AFLOW prototype label:
A2B5C_oC32_63_f_c2f_c
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'y2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.564', '2.6074355', '2.5745511', '0.26029427', '0.81596429', '0.13504468', '0.43242644', '0.055077294', '0.88231789', '0.3127438', '0.90982513']
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.         0.13504468 0.43242644]
 [0.         0.26029427 0.25      ]
 [0.         0.05507729 0.88231789]
 [0.         0.3127438  0.90982513]
 [0.         0.81596429 0.25      ]]
spacegroup =  63
cell =  [[3.564, 0, 0], [0, 9.2929, 0], [0, 0, 9.1757]]
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