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