../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ca
A_oC2_65_a
a b/a c/a
standard
1
3.7599 1.719966 0.92776404
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000