element(s):
['Ca', 'Si']
AFLOW prototype label:
A2B_oP12_62_2c_c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.6084', '0.6326823', '1.1892776', '0.3464605', '0.92627319', '0.47962367', '0.32267916', '0.74735771', '0.89410375']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'Si']
representative atom coordinates =  [[0.3464605  0.25       0.92627319]
 [0.47962367 0.25       0.32267916]
 [0.74735771 0.25       0.89410375]]
spacegroup =  62
cell =  [[7.6084, 0, 0], [0, 4.8137, 0], [0, 0, 9.0485]]
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