../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ca
A_oF4_69_a
a b/a c/a
standard
1
5.6138 0.95457622 0.98761979
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000