../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Si A_hP4_194_f a c/a z1 standard 1 3.8496 1.6527431 0.56294015 Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000