# DATE: 2015-02-19 CONTRIBUTOR: Ray Shan, tnshan@sandia.gov CITATION: Streitz and Mintmire, Phys Rev B, 50, 11996-12003 (1994) # Streitz-Mintmire electrostatic plus (ES+) potential (AKA charge transfer ionic potential) for Al2O3 # Edited by Ray Shan (Sandia) # must be used with "units metal" in LAMMPS # X (eV) J (eV) gamma (1/ang) zeta (1/ang) Z (e) Al 0.000000 10.328655 0.000000 0.968438 0.763905 O 5.484763 14.035715 0.000000 2.143957 0.000000