{
    "content-origin" "LAMMPS package 22-Sep-2017" 
    "contributor-id" "fa1c5480-8f03-4349-95c1-96c205a7a333" 
    "description" "Mobile single interstitials can grow into extended interstitial defect structures during thermal anneals following ion implantation. The silicon tetra-interstitials present an important intermediate structure that can either provide a chain-like nucleation site for extended structures or form a highly stable compact interstitial cluster preventing further growth. In this paper, dimer searches using the tight-binding (TB) model by Lenosky et al. and density functional calculations show that the compact ground-state I-4(a) and the I-4-chain are surrounded by high-lying neighboring local minima. To furthermore explore the phase space of tetra-interstitial structures an empirical potential is optimized to a database of silicon defect structures. The minima hopping method combined with this potential extensively searches the energy landscape of tetra-interstitials and discovers several new lowenergy I-4 structures. The second lowest-energy I-4 structure turns out to be a distorted ground-state tri-interstitial bound with a single interstitial, which confirms that the ground-state tri-interstitial may serve as a nucleation center for the extended defects in silicon." 
    "developer" [
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        "9c46096f-0ba3-4052-9ddd-2ed917bd948e" 
        "57339548-c8c4-4b8b-a24b-6cecf2787096" 
        "12bdc01d-6ee6-4c3e-adcf-4d4ce7cf37ae" 
        "3725f53e-1542-4936-bd28-bab1f4e68468"
    ] 
    "doi" "10.25950/6dad7a85" 
    "domain" "openkim.org" 
    "extended-id" "Sim_LAMMPS_MEAM_DuLenoskyHennig_2011_Si__SM_662785656123_000" 
    "kim-api-version" "2.1" 
    "maintainer-id" "fa1c5480-8f03-4349-95c1-96c205a7a333" 
    "potential-type" "meam" 
    "publication-year" "2019" 
    "run-compatibility" "portable-models" 
    "simulator-name" "LAMMPS" 
    "simulator-potential" "meam/spline" 
    "source-citations" [
        {
            "author" "Du, Yaojun A. and Lenosky, Thomas J. and Hennig, Richard G. and Goedecker, Stefan and Wilkins, John W." 
            "doi" "10.1002/pssb.201147137" 
            "journal" "physica status solidi (b)" 
            "month" "jun" 
            "publisher" "Wiley" 
            "recordkey" "SM_662785656123_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Energy landscape of silicon tetra-interstitials using an optimized classical potential" 
            "url" "https://doi.org/10.1002/pssb.201147137" 
            "year" "2011"
        }
    ] 
    "species" [
        "Si"
    ] 
    "title" "LAMMPS Spline-based MEAM potential for Si system developed by Du et al. (2011) v000"
}