../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_hP9_180_i_d a c/a x2 standard 1 5.1077 1.0935059 0.20837965 Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000