{
    "content-origin" "http://www.ctcms.nist.gov/potentials/Fe.html" 
    "contributor-id" "f3251c9e-5721-45a2-a0fc-1e48977d95e2" 
    "description" "Two procedures were developed to fit interatomic potentials of the embedded-atom method (EAM) form and applied to determine a potential which describes crystalline and liquid iron. While both procedures use perfect crystal and crystal defect data, the first procedure also employs the first-principles forces in a model liquid and the second procedure uses experimental liquid structure factor data. These additional types of information were incorporated to ensure more reasonable descriptions of atomic interactions at small separations than is provided using standard approaches, such as fitting to the universal binding energy relation. The new potentials (provided herein) are, on average, in better agreement with the experimental or first-principles lattice parameter, elastic constants, point-defect energies, bcc\u2013fcc transformation energy, liquid density, liquid structure factor, melting temperature and other properties than other existing EAM iron potentials.\n\nThis is potential #5 from [M.I. Mendelev, S. Han, D.J. Srolovitz, G.J. Ackland, D.Y. Sun and M. Asta, Phil. Mag. 83, 3977-3994 (2003)]." 
    "developer" [
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        "f3251c9e-5721-45a2-a0fc-1e48977d95e2" 
        "c3e36b7f-82b0-46cb-9af3-94f80655331e" 
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        "8f1fcf33-4166-48fb-b8f8-c5ed7845db5e"
    ] 
    "disclaimer" "Note that there is a typographical error in the table of parameters for this potential in the paper describing it [1]. This is potential is suitable for the simulation of the bcc Fe or solidification. For simulation of the fcc phase, one can use the Fe part from the Fe-Ni-Cr potential developed by Mendelev instead \r\n(https://openkim.org/id/EAM_Dynamo__MD_120291908751_005)." 
    "doi" "10.25950/b73f2bfe" 
    "domain" "openkim.org" 
    "extended-id" "EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_005" 
    "kim-api-version" "2.0" 
    "maintainer-id" "f3251c9e-5721-45a2-a0fc-1e48977d95e2" 
    "model-driver" "EAM_Dynamo__MD_120291908751_005" 
    "potential-type" "eam" 
    "publication-year" "2018" 
    "source-citations" [
        {
            "author" "M. I. Mendelev and S. Han and D. J. Srolovitz and G. J. Ackland and D. Y. Sun and M. Asta" 
            "doi" "10.1080/14786430310001613264" 
            "journal" "Philosophical Magazine" 
            "number" "35" 
            "pages" "3977--3994" 
            "publisher" "Taylor \\& Francis" 
            "recordkey" "MO_942420706858_005a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Development of new interatomic potentials appropriate for crystalline and liquid iron" 
            "volume" "83" 
            "year" "2003"
        }
    ] 
    "species" [
        "Fe"
    ] 
    "title" "EAM potential (LAMMPS cubic hermite tabulation) for Fe developed by Mendelev et al. (2003); Potential #5 v005"
}