{"content-origin" "" "contributor-id" "7126cfb2-333b-4d07-b33e-a00a5523fb0e" "description" "An interatomic potential for zirconium diboride. The potential is of the Tersoff form, and is obtained by fitting to a first-principles database of basic properties of elemental Zr, B, and ZrB2 compound. Two variants of the Zr-B potentials have been obtained, this is the second potential described in the paper (pot 2). The potentials have been tested against a variety of properties of the compound, with the conclusion that they are stable and provide a reasonable representation of the desired properties of zirconium diboride." "developer" ["7126cfb2-333b-4d07-b33e-a00a5523fb0e" "a38298fe-95a6-4965-a4c8-125579300e02" "5ee89603-6bda-4a2f-b99b-439cdf7fd1d2"] "doi" "10.25950/6c34c7be" "domain" "openkim.org" "executables" [] "extended-id" "Tersoff_LAMMPS_DawLawsonBauschlicher_2011pot2_ZrB__MO_728716510644_000" "kim-api-version" "2.2" "maintainer-id" "7126cfb2-333b-4d07-b33e-a00a5523fb0e" "model-driver" "Tersoff_LAMMPS__MD_077075034781_005" "potential-type" "tersoff" "publication-year" "2022" "source-citations" [{"author" "M. S. Daw and J. W. Lawson and D. W. Bauschlicher" "doi" "10.1016/j.commatsci.2011.04.038" "journal" "Computational Materials Science" "number" "10" "pages" "2828--2835" "recordkey" "MO_728716510644_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Interatomic potentials for Zirconium Diboride and Hafnium Diboride" "volume" "50" "year" "2011"}] "species" ["B" "Zr"] "title" "Tersoff potential for zirconium diboride (ZrB2) developed by Daw et al. (2011) v000"}