{
    "contributor-id" "b54ae64d-ab58-4f29-9bfa-22bf2f2fc618" 
    "description" "In a critical evaluation, we show that existing classical potentials are not suitable for calculating the energy of realistic atomic processes in Si. We present a new potential which is especially suited to simulate processes in the diamond lattice rather than in high-energy bulk structures of Si. Our 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" [
        "450eeeaa-df88-4067-a078-b0f83f4dd769" 
        "ef476661-e46d-49b8-98b8-fca0ef2eb082"
    ] 
    "doi" "10.25950/b5b6ae37" 
    "domain" "openkim.org" 
    "extended-id" "ThreeBodyCluster_KP_KaxirasPandey_1988_Si__MO_072486242437_000" 
    "kim-api-version" "2.0" 
    "maintainer-id" "b54ae64d-ab58-4f29-9bfa-22bf2f2fc618" 
    "model-driver" "ThreeBodyCluster_KP__MD_527786671773_000" 
    "potential-type" "kp" 
    "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" "MO_072486242437_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "New classical potential for accurate simulation of atomic processes in {S}i" 
            "volume" "38" 
            "year" "1988"
        }
    ] 
    "species" [
        "Si"
    ] 
    "title" "Three-body cluster potential for Si by Kaxiras and Pandey (1988) v000"
}