../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_cP144_224_ij2k_l a y1 y2 x3 z3 x4 z4 x5 y5 z5 standard 1 12.6402 0.86679988 0.83285201 0.47160972 0.26268769 0.31553669 0.90101136 0.73573295 0.095456763 0.56078114 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000