../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_oP12_60_d_c a b/a c/a y1 x2 y2 z2 standard 1 4.1143 1.2352283 1.1008677 0.8479227 0.26915647 0.61764058 0.080012681 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000