../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_cP72_205_2d_d a x1 y1 z1 x2 y2 z2 x3 y3 z3 standard 1 10.5357 0.54703756 0.74824173 0.1654052 0.71730161 0.58475025 0.071044533 0.64661243 0.72020308 0.049244101 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000