{ "contributor-id" "8283ed9e-ec2a-491a-83e4-ec93eae4139e" "description" "A rigid-ion potential based on the Born model of ionic solids to describe the potential energy of NiO systems. The energy between two ions is calculated by partitioning the energy into long-range Coulombic interactions and short-range interactions that approximate Pauli repulsions and van der Waal\u2019s attractions between ions. The short-range term used is the Buckingham potential." "developer" [ "3028eb54-5ff8-4d28-8347-7e414b513d12" "3b854746-bb59-4b66-b12f-04260fe32bbc" ] "doi" "10.25950/7dfe7bc7" "domain" "openkim.org" "executables" [] "extended-id" "Sim_LAMMPS_Buckingham_FisherMatsubara_2005_NiO__SM_337243826931_000" "funding" [ { "award-number" "814572" "award-title" "Innovative Nanoinformatics models and tools: towards a Solid, verified and Integrated Approach to Predictive (eco)Toxicology (NanoSolveIT)" "award-uri" "https://cordis.europa.eu/project/id/814572" "funder-name" "EU H2020" } ] "implementer" [ "8283ed9e-ec2a-491a-83e4-ec93eae4139e" "3c20a9f6-e1ec-43ae-aedc-9d489d81802b" ] "kim-api-version" "2.2" "maintainer-id" "8283ed9e-ec2a-491a-83e4-ec93eae4139e" "potential-type" "buckingham" "publication-year" "2021" "run-compatibility" "portable-models" "simulator-name" "LAMMPS" "simulator-potential" "buck/coul/long" "source-citations" [ { "author" "Fisher, C. A. J. and Matsubara, H." "doi" "10.1080/14786430412331326290" "journal" "Philosophical Magazine" "number" "10" "pages" "1067-1088" "recordkey" "SM_337243826931_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Molecular dynamics simulations of interfaces between {NiO} and cubic {ZrO}$_2$" "volume" "85" "year" "2005" } ] "species" [ "Ni" "O" ] "title" "LAMMPS Buckingham potential for NiO developed by Fisher and Matsubara (2005) v000" }