{
    "contributor-id" "8283ed9e-ec2a-491a-83e4-ec93eae4139e" 
    "description" "The potential is based on the rigid-ion Born model of ionic solid. The Mn and O ions interact via long-range Coulombic interactions and short-range Buckingham  interactions. The parameters were fitted so that they give good agreement with the crystal structures of both pyrolusite and ramsdellite." 
    "developer" [
        "dc97eea5-9279-480d-b97f-09f3349e646b" 
        "77f790f4-e7bf-409c-843c-8f3853947940" 
        "744b7486-f1d5-4521-9f41-e0279efcf574" 
        "ec6630cd-a919-48a1-a8ac-279f81032be2" 
        "1e9bbc60-e029-4f52-bf9c-8ff24a15b072"
    ] 
    "doi" "10.25950/bc26989f" 
    "domain" "openkim.org" 
    "executables" [] 
    "extended-id" "Sim_LAMMPS_Buckingham_SayleCatlowMaphanga_2005_MnO__SM_757974494010_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" "Sayle, T. X. T. and Catlow, C. R. A. and Maphanga, R. R. and Ngoepe, P. E. and Sayle, D. C." 
            "doi" "10.1021/ja0434073" 
            "journal" "Journal of American Chemical Society" 
            "pages" "12828-12837" 
            "recordkey" "SM_757974494010_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Generating {MnO}$_2$ Nanoparticles Using Simulated Amorphization and Recrystallization" 
            "volume" "127" 
            "year" "2005"
        }
    ] 
    "species" [
        "Mn" 
        "O"
    ] 
    "title" "LAMMPS Buckingham potential for MnO2 developed by Sayle et al. (2005) v000"
}