../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_tP3_123_h_a a c/a z2 standard 1 2.4116 2.3361254 0.80662489 Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000