../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ca O
AB_hP4_194_c_d
a c/a
standard
1
4.0118 1.2002592
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000