../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
H P
A3B_cP16_208_i_c
a x2
standard
1
5.0443 0.60000636
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000