../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ca
A_hP2_194_c
a c/a
standard
1
3.8897 1.6595367
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000