../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ca
A_cP1_221_a
a
standard
1
3.5035
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000