../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_tP3_123_h_a a c/a z2 standard 1 2.4116 2.3361254 0.80662489 Sim_LAMMPS_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000