../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ca O
AB2_tI6_139_a_e
a c/a z2
standard
1
3.2956 2.1117247 0.39074146
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000