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Warning! Note that elemental potentials taken from alloy descriptions may not work well for the pure species. This is particularly true if the elements were fit for compounds instead of being optimized separately. As with all interatomic potentials, please check to make sure that the performance is adequate for your problem.
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Updated! Potentials that share interactions are now listed as related models.
2017--Purja-Pun-G-P--Au
Citation: G.P. Purja Pun (2017), "to be published".
See Computed PropertiesNotes: These files were sent by G.P. Purja Pun (George Mason) on 7 Sept. 2017 and posted with his permission.
File(s):
See Computed PropertiesNotes: Listing found at https://openkim.org. This KIM potential is based on the files from 2017--Purja-Pun-G-P--Au--LAMMPS--ipr1.
Link(s):
Date Created: October 5, 2010 | Last updated: June 09, 2022