{ "contributor-id" "b54ae64d-ab58-4f29-9bfa-22bf2f2fc618" "description" "A three-body cluster potential which is especially suited to simulate processes in the diamond lattice rather than in high-energy bulk structures of Si. The potential is based on a very large quantum-mechanical data base. It consists of two- and three-body terms with short-range separable forms, and reproduces accurately the energy surface for atomic exchange in Si. Thus, it is ideally suited for molecular dynamics simulations of atomic processes in Si." "developer" [ "ef476661-e46d-49b8-98b8-fca0ef2eb082" "450eeeaa-df88-4067-a078-b0f83f4dd769" ] "doi" "10.25950/477dbd2b" "domain" "openkim.org" "executables" [] "extended-id" "ThreeBodyCluster_KP__MD_527786671773_000" "implementer" [ "b54ae64d-ab58-4f29-9bfa-22bf2f2fc618" "4d62befd-21c4-42b8-a472-86132e6591f3" ] "kim-api-version" "2.0" "maintainer-id" "b54ae64d-ab58-4f29-9bfa-22bf2f2fc618" "publication-year" "2019" "source-citations" [ { "author" "Kaxiras, Efthimios and Pandey, K. C." "doi" "10.1103/PhysRevB.38.12736" "issue" "17" "journal" "Phys. Rev. B" "pages" "12736--12739" "recordkey" "MD_527786671773_000a" "recordtype" "article" "title" "New classical potential for accurate simulation of atomic processes in {S}i" "volume" "38" "year" "1988" } ] "title" "Three-body cluster potential by Kaxiras and Pandey (1988) v000" }