{
    "contributor-id" "a037a4a6-b6a0-4aa0-874f-f428e0deca69" 
    "description" "A theory of classical two- and three-body interatomic potentials is developed. The ability of the classical potentials to model quantum-mechanical local-density-functional calculations for a wide range of silicon structures is explored. In developing classical models it was found to be necessary to perform new local-density-functional calculations for self-interstitial and layered silicon structures. Two different potentials are derived from fits and tests to energies of bulk, surface, layered, and self-interstitial structures. One potential models bulk energies and high-pressure properties well; the other is more appropriate for properties of the tetrahedral structure. Simulated annealing is used to find low-energy structures for silicon-atom clusters." 
    "developer" [
        "faa52b3a-8b3b-44ba-b2f8-9a98744306ea" 
        "04a2fb96-8ab8-403d-a2ee-358939c002d2"
    ] 
    "doi" "10.25950/972369ee" 
    "domain" "openkim.org" 
    "executables" [] 
    "extended-id" "ThreeBodyCluster_BH__MD_043141570610_000" 
    "implementer" [
        "a037a4a6-b6a0-4aa0-874f-f428e0deca69" 
        "4d62befd-21c4-42b8-a472-86132e6591f3"
    ] 
    "kim-api-version" "2.0" 
    "maintainer-id" "a037a4a6-b6a0-4aa0-874f-f428e0deca69" 
    "publication-year" "2019" 
    "source-citations" [
        {
            "author" "Biswas, R. and Hamann, D. R." 
            "doi" "10.1103/PhysRevB.36.6434" 
            "issue" "12" 
            "journal" "Phys. Rev. B" 
            "pages" "6434--6445" 
            "recordkey" "MD_043141570610_000a" 
            "recordtype" "article" 
            "title" "New classical models for silicon structural energies" 
            "volume" "36" 
            "year" "1987"
        }
    ] 
    "title" "Three-body cluster potential by Biswas and Hamann (1987) v000"
}