{"content-origin" "Ported from LAMMPS" "contributor-id" "e09f947f-5c51-4bda-a096-580e239f6064" "description" "Model driver that supports parametrizations of the Tersoff-style three-body potential. It is ported from LAMMPS and supports the same format for parameter files. The commonly used variants by Tersoff and Nord/Albe/Erhart/Nordlund are supported, see source citations for details.\n\nOptionally, a Ziegler-Biersack-Littmark potential for short interatomic distances can be smoothly joined via a Fermi function. This functionality mirrors the tersoff/zbl variant in LAMMPS." "developer" ["aff409ad-1c1f-4fc6-9f5d-1762d013b915" "6be0fba0-c5b2-4ba1-bb25-913f673bd147" "0cae35a3-0f1a-4fe4-9cd4-7e75b932d014" "49b4cbc5-706d-457f-9b77-e7c08bade0ba" "798d5a6b-87b3-4436-96c3-2623f37201a5" "44ae4c0b-28b0-4a6a-a799-72e7810d564d" "249850a1-74db-45c9-a143-a28facee4c26" "5c1d4047-0938-4d5f-b03e-38433fa561eb"] "doi" "10.25950/9a7dc96c" "domain" "openkim.org" "executables" ["helpers/tersoff2lammps.py"] "extended-id" "Tersoff_LAMMPS__MD_077075034781_005" "implementer" ["e09f947f-5c51-4bda-a096-580e239f6064" "8e094560-62f1-47e7-9d39-6a6748d0418d" "96c6a21a-aef0-46ad-9f2a-b0ae33987a2b" "5ca58a6a-aa46-4e5a-a2e1-b3fc6bc2efa6"] "kim-api-version" "2.2" "maintainer-id" "e09f947f-5c51-4bda-a096-580e239f6064" "publication-year" "2021" "simulator-potential-compatibility" [{"compatibility" "full" "compatibility-notes" "Additional settings file required that lists supported species. See README for details." "simulator-name" "LAMMPS" "simulator-potential" "tersoff"} {"compatibility" "full" "compatibility-notes" "Additional settings file required that lists supported species and activates ZBL support. See README for details." "simulator-name" "LAMMPS" "simulator-potential" "tersoff/zbl"}] "source-citations" [{"author" "Tersoff, J." "doi" "10.1103/PhysRevB.37.6991" "journal" "Phys. Rev. B" "number" "12" "pages" "6991-7000" "recordkey" "MD_077075034781_005a" "recordprimary" "recordprimary" "recordtype" "article" "title" "New empirical approach for the structure and energy of covalent systems" "volume" "37" "year" "1988"} {"author" "Tersoff, J." "doi" "10.1103/PhysRevB.39.5566" "journal" "Phys. Rev. B" "pages" "5566-5568" "recordkey" "MD_077075034781_005b" "recordprimary" "recordprimary" "recordtype" "article" "title" "Modeling solid-state chemistry: Interatomic potentials for multicomponent systems" "volume" "39" "year" "1989"} {"author" "Nord, J. and Albe, K. and Erhart, P. and Nordlund, K." "doi" "10.1088/0953-8984/15/32/324" "journal" "J. Phys.: Condens. Matter" "pages" "5649" "recordkey" "MD_077075034781_005c" "recordprimary" "recordprimary" "recordtype" "article" "title" "Modelling of compound semiconductors: analytical bond-order potential for gallium, nitrogen and gallium nitride" "volume" "15" "year" "2003"} {"address" "New York" "author" "Ziegler, J. F. and Biersack, J. P. and Littmark, U." "doi" "" "edition" "" "isbn" "" "note" "" "publisher" "Pergamon" "recordkey" "MD_077075034781_005d" "recordprimary" "recordprimary" "recordtype" "book" "title" "The Stopping and Range of Ions in Matter" "url" "" "year" "1985"}] "title" "Model driver for Tersoff-style potentials ported from LAMMPS v005"}