../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_tP6_136_f_a a c/a x2 standard 1 4.2324 0.63647103 0.30675261 Sim_LAMMPS_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000