/disk2/worker/repository/td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_000/runner Tersoff_LAMMPS_Erhart_Juslin_Goy_Nordlund_Mueller_Albe_ZnO__MO_616776018688_001 Zn hcp 2.66489585331e-10 4.54744890827e-10