{"contributor-id" "360c0aed-48ce-45f6-ba13-337f12a531e8"
 "creator" "Ellad Tadmor"
 "description" "A force-matching method is employed to optimize the parameters of the Stillinger–Weber (SW) interatomic potential for calculation of the lattice thermal conductivity of silicon. The parameter fitting is based on first-principles density functional calculations of the restoring forces for atomic displacements. The thermal conductivities of bulk crystalline Si at 300–500 K estimated using nonequilibrium molecular dynamics with the modified parameter set show excellent agreement with existing experimental data. The force-matching-based parameterization is shown to provide improved estimation of thermal conductivity, as compared to the original SW parameter set, through analysis of phonon density of states and phonon dispersion relations. Two parameterizations are provided in the paper. one fit to DFT/LDA and the other to DFT/GGA. This model is the GGA parameterization."
 "developer" ["0fa20070-c2d2-464d-90e7-a7a39d1de6d8"
              "78975f59-faa5-497b-9f87-08ad33d65878"]
 "doi" "10.25950/d84bb56f"
 "domain" "openkim.org"
 "extended-id" "SW_LeeHwang_2012GGA_Si__MO_040570764911_001"
 "implementer" ["360c0aed-48ce-45f6-ba13-337f12a531e8"]
 "kim-api-version" "2.0"
 "maintainer-id" "360c0aed-48ce-45f6-ba13-337f12a531e8"
 "model-driver" "SW__MD_335816936951_005"
 "potential-type" "sw"
 "publication-year" "2021"
 "source-citations" [{"author" "Lee, Yongjin and Hwang, Gyeong S."
                      "doi" "10.1103/PhysRevB.85.125204"
                      "issue" "12"
                      "journal" "Phys. Rev. B"
                      "pages" "125204"
                      "recordkey" "MO_040570764911_001a"
                      "recordprimary" "recordprimary"
                      "recordtype" "article"
                      "title" "Force-matching-based parameterization of the {S}tillinger-{W}eber potential for thermal conduction in silicon"
                      "volume" "85"
                      "year" "2012"}]
 "species" ["Si"]
 "title" "Stillinger-Weber potential for Si optimized for thermal conductivity due to Lee and Hwang (1985); GGA parameterization v001"}