element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
AB3C_oI20_74_e_eg_a
Parameter names:
['a', 'b/a', 'c/a', 'z2', 'z3', 'y4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1015', '1.4095854', '1.0039792', '0.50154772', '0.038821765', '0.98017833']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'O', 'O', 'Si']
representative atom coordinates =  [[0.         0.25       0.50154772]
 [0.         0.25       0.03882177]
 [0.25       0.98017833 0.25      ]
 [0.         0.         0.        ]]
spacegroup =  74
cell =  [[5.1015, 0, 0], [0, 7.191, 0], [0, 0, 5.1218]]
=========================================