../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_hP12_194_cg_f a c/a z2 standard 1 5.2773 1.629337 0.43768244 Sim_LAMMPS_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000