{
    "contributor-id" "8283ed9e-ec2a-491a-83e4-ec93eae4139e" 
    "description" "A rigid-ion pair potential developed for a-Fe2O3 (hematite). The energy between two ions is partitioned into a long-range Coulombic interaction and a short-range one that describes Pauli repulsions and van der Waal\u2019s attractions. The short-range term is modelled by the Buckingham potential. It is the group of parameters denoted as \"set 1\" in the publication of Vaari in Solid State Ionics 270 (2015) 10\u201317." 
    "developer" [
        "2634e1cf-8a11-4883-9590-95f1a4580d57"
    ] 
    "doi" "10.25950/a5ae873c" 
    "domain" "openkim.org" 
    "executables" [] 
    "extended-id" "Sim_LAMMPS_Buckingham_Vaari_2015_FeO__SM_672759489721_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" "Vaari, J." 
            "doi" "10.1016/j.ssi.2014.11.027" 
            "journal" "Solid State Ionics" 
            "pages" "10-17" 
            "recordkey" "SM_672759489721_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Molecular dynamics simulations of vacancy diffusion in chromium({III}) oxide, hematite, magnetite and chromite" 
            "volume" "270" 
            "year" "2015"
        }
    ] 
    "species" [
        "Fe" 
        "O"
    ] 
    "title" "LAMMPS Buckingham potential for a-Fe2O3 (hematite) reported by Vaari (2015) v000"
}