{
    "content-origin" "LAMMPS package 30-Jul-2021" 
    "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3" 
    "description" "An interatomic potential has been developed to describe interactions in silicon, carbon, and silicon carbide. This model generalizes the semi-empirical interatomic potential EDIP, initially designed for silicon (Bazant et al. 1997 Phys. Rev. B 56 8542), for modeling silicon carbide. In addition, the functional form of the original EDIP has been generalized, where all the parameters for Si\u2013Si, C\u2013C, and Si\u2013C interactions are new. This potential has been tested for silicon, carbon (diamond), and silicon carbide for a wide range of properties, including bulk properties stability and structure of high-pressure crystalline phases, formation energy and point structure, extended defects, and amorphous phases structure. The proposed potential enables an accurate description of point and extended defects in silicon, diamond, and silicon carbide, thus preserving the initial focus of the original EDIP potential. An extra feature of this parameter set is the excellent description of the high-pressure phases of the different materials.\n\nNOTE: This model was previously named Sim_LAMMPS_EDIP_JiangMorganSzlufarska_2012_SiC__SM_435704953434_000. It was discovered that the header in the parameter file contained in the model was erroneous and that, in fact, the parameters are from G. Lucas, M. Bertolus, and L. Pizzagalli, J. Phys.: Condens. Matter 22, 035802 (2009)." 
    "developer" [
        "1593d9a0-8d99-4898-bf26-3d5a5caf0be1" 
        "1dbcddcd-9879-4915-9575-020bebf946ff" 
        "44772932-dd4f-44c6-9c9b-0b000bfa2c34"
    ] 
    "doi" "10.25950/b67a8c85" 
    "domain" "openkim.org" 
    "extended-id" "Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000" 
    "implementer" [
        "29efe69f-fb86-4a71-a67a-cd598f3616c9"
    ] 
    "kim-api-version" "2.1" 
    "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3" 
    "potential-type" "edip" 
    "publication-year" "2019" 
    "run-compatibility" "portable-models" 
    "simulator-name" "LAMMPS" 
    "simulator-potential" "edip" 
    "source-citations" [
        {
            "author" "Lucas, G. and Bertolus, M. and Pizzagalli, L." 
            "doi" "10.1088/0953-8984/22/3/035802" 
            "journal" "Journal of Physics: Condensed Matter" 
            "month" "Dec" 
            "number" "3" 
            "pages" "035802" 
            "publisher" "{IOP} Publishing" 
            "recordkey" "SM_435704953434_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "An environment-dependent interatomic potential for silicon carbide: calculation of bulk properties, high-pressure phases, point and extended defects, and amorphous structures" 
            "volume" "22" 
            "year" "2009"
        }
    ] 
    "species" [
        "Si" 
        "C"
    ] 
    "title" "LAMMPS EDIP potential for Si-C developed by Lucas, Bertolus, and Pizzagalli (2009) v000"
}