../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Na A_oP8_62_2c a b/a c/a x1 z1 x2 z2 standard 1 7.0209 0.70389836 1.0667293 0.90164155 0.37575238 0.90703605 0.87397309 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000