{"creator" "Dipanjan Ghosh"
 "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."
 "doi" "10.25950/972369ee"
 "domain" "openkim.org"
 "executables" []
 "extended-id" "ThreeBodyCluster_BH__MD_043141570610_000"
 "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"}