element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
A2B4C_hP14_164_abd_di_d
Parameter names:
['a', 'c/a', 'z3', 'z4', 'z5', 'x6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6293', '1.2106301', '0.65585836', '0.96234313', '0.19758957', '0.17744247', '0.29247735']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'Ca', 'O', 'O', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.33333333 0.66666667 0.65585836]
 [0.33333333 0.66666667 0.96234313]
 [0.17744247 0.82255753 0.29247735]
 [0.33333333 0.66666667 0.19758957]]
spacegroup =  164
cell =  [[5.6293, 0, 0], [-2.81465, 4.8751168055237, 0], [0, 0, 6.815]]
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