../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_tP48_125_ijlm_n a c/a x1 x2 x3 x4 z4 x5 y5 z5 standard 1 12.3665 0.35354385 0.8757753 0.93750359 0.49806266 0.40337147 0.86804411 0.64494387 0.52187962 0.26016419 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000