element(s):
['Al', 'O', 'Si']
AFLOW prototype label:
A2B5C_oP32_58_eg_3gh_g
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'x2', 'y2', 'x3', 'y3', 'x4', 'y4', 'x5', 'y5', 'x6', 'y6', 'x7', 'y7', 'z7']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8719', '1.0133767', '0.71291556', '0.24176195', '0.87068038', '0.36093363', '0.92416589', '0.13720313', '0.57597379', '0.63624326', '0.89745818', '0.59946173', '0.75417182', '0.74788881', '0.76895855', '0.86603863', '0.23957634']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'O', 'O', 'O', 'O', 'Si']
representative atom coordinates =  [[0.         0.         0.24176195]
 [0.87068038 0.36093363 0.        ]
 [0.92416589 0.13720313 0.        ]
 [0.57597379 0.63624326 0.        ]
 [0.89745818 0.59946173 0.        ]
 [0.76895855 0.86603863 0.23957634]
 [0.75417182 0.74788881 0.        ]]
spacegroup =  58
cell =  [[7.8719, 0, 0], [0, 7.9772, 0], [0, 0, 5.612]]
=========================================