../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ca Si
A2B_oP12_62_2c_c
a b/a c/a x1 z1 x2 z2 x3 z3
standard
1
7.6084 0.6326823 1.1892776 0.3464605 0.92627319 0.47962367 0.32267916 0.74735771 0.89410375
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000