../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O
A_hR2_166_c
a c/a x1
standard
2
3.6456414 3.197122 0.052910347
3.4437661 3.3578167 0.053331807
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000