{ "contributor-id" "8283ed9e-ec2a-491a-83e4-ec93eae4139e" "description" "This potential is a combination of a short-range Buckingham and a long-range Coulombic interaction terms. The interaction between cations are considered to be purely coulombic due to their small radii compared with anions. The set of parameters correspond to the labelled \"B-set2\" group." "developer" [ "a21c005d-d3bc-456e-a5f6-2650faf1e350" "a0d761c2-b9bf-4121-93c6-6c9a5dcab0c9" "b3bcd87d-33c7-4198-bb24-578960c2debb" ] "doi" "10.25950/ce538e7d" "domain" "openkim.org" "executables" [] "extended-id" "Sim_LAMMPS_Buckingham_WangShinShin_2019_CrO__SM_295921111679_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" "Wang, J. and Shin, D. and Shin, S." "doi" "10.1063/1.5078639" "journal" "AIP Advances" "pages" "015123" "recordkey" "SM_295921111679_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Comprehensive evaluation and parametric sensitivity of interatomic potential models for diffusion kinetics of {Cr}$_2${O}$_3$ in molecular dynamics" "volume" "9" "year" "2019" } ] "species" [ "Cr" "O" ] "title" "LAMMPS Buckingham potential for Cr2O3 reported by Wang, Shin and Shin (2019) v000" }