{
    "content-origin" "NIST Interatomic Potentials Repository; https://www.ctcms.nist.gov/potentials/entry/2015--Eich-S-M-Beinke-D-Schmitz-G--Fe-Cr/2015--Eich-S-M--Fe-Cr--LAMMPS--ipr1.html" 
    "contributor-id" "c3afac98-03eb-4515-9346-ac32602f7f4d" 
    "description" "A new potential for the iron\u2013chromium (Fe\u2013Cr) alloy system was optimized for the embedded-atom method (EAM) within the two-band model (TBM) extension. In contrast to previous works, free model parameters are predominantly adapted to available experimental high-temperature data of the mixing enthalpy. As a major improvement, the metastable \u03b1/\u03b1' miscibility gap is accurately described in agreement with experimental data and a recent CALPHAD parametrization. The potential was also fitted to obtain an enriched solubility for chromium atoms in an iron matrix at 0 K, as it is predicted by several ab initio calculations. Furthermore, it was benchmarked against phonon excess entropies at 300 K and 1600 K demonstrating good agreement with respective results of inelastic neutron scattering." 
    "developer" [
        "c3afac98-03eb-4515-9346-ac32602f7f4d" 
        "81d1d66b-1e23-4ea1-b158-3f0eb1fa3eeb" 
        "43584856-9318-4664-b093-08bd2f0087c4"
    ] 
    "doi" "10.25950/345ef364" 
    "domain" "openkim.org" 
    "executables" [] 
    "extended-id" "Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000" 
    "kim-api-version" "2.2" 
    "maintainer-id" "c3afac98-03eb-4515-9346-ac32602f7f4d" 
    "potential-type" "eam" 
    "publication-year" "2021" 
    "run-compatibility" "portable-models" 
    "simulator-name" "LAMMPS" 
    "simulator-potential" "hybrid/overlay" 
    "source-citations" [
        {
            "author" "Eich, S. M. and Beinke, D. and Schmitz, G." 
            "doi" "10.1016/j.commatsci.2015.03.047" 
            "journal" "Comput. Mater. Sci." 
            "pages" "185--192" 
            "recordkey" "SM_731771351835_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Embedded-atom potential for an accurate thermodynamic description of the iron--chromium system" 
            "url" "http://www.sciencedirect.com/science/article/pii/S0927025615002207" 
            "volume" "104" 
            "year" "2015"
        }
    ] 
    "species" [
        "Fe" 
        "Cr"
    ] 
    "title" "EAM/TBM potential for Fe\u2013Cr developed by Eich et al. (2015) v000"
}