../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ca H
AB2_hP6_194_c_ad
a c/a
standard
1
3.799 1.4002895
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000