../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner K Na AB2_hP12_194_f_ah a c/a z2 x3 standard 1 7.2981 1.6441266 0.56259132 0.16746243 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000