{
    "content-origin" "NIST IPRP (http://www.ctcms.nist.gov/potentials/Cu.html)" 
    "content-other-locations" "LAMMPS package 22-Sep-2017 (Cu_mishin1.eam.alloy). Note that this file has a different number of points than the parameter file used with the current model and differences due to precision." 
    "contributor-id" "201572cf-870c-477f-b34f-3a6481002dee" 
    "description" "We evaluate the ability of the embedded-atom method (EAM) potentials and the tight-binding (TB) method to predict reliably energies and stability of nonequilibrium structures by taking Cu as a model material. Two EAM potentials are used here. One is constructed in this work by using more fitting parameters than usual and including ab initio energies in the fitting database. The other potential was constructed previously using a traditional scheme. Excellent agreement is observed between ab initio, TB, and EAM results for the energies and stability of several nonequilibrium structures of Cu, as well as for energies along deformation paths between different structures. We conclude that not only TB calculations but also EAM potentials can be suitable for simulations in which correct energies and stability of different atomic configurations are essential, at least for Cu. The bcc, simple cubic, and diamond structures of Cu were identified as elastically unstable, while some other structures (e.g., hcp and 9R) are metastable. As an application of this analysis, nonequilibrium structures of epitaxial Cu films on (001)-oriented fcc or bcc substrates are evaluated using a simple model and atomistic simulations with an EAM potential. In agreement with experimental data, the structure of the film can be either deformed fcc or deformed hcp. The bcc structure cannot be stabilized by epitaxial constraints.\n\nNote that the Cu01.eam.alloy parameter file in this model was produced by Chandler Becker (NIST) on 4 February 2009 from files provided by the developer Yuri Mishin. This file is similar to the parameter file Cu_mishin1.eam.alloy distributed with the LAMMPS package but has a different number of points and some changes in precision." 
    "developer" [
        "201572cf-870c-477f-b34f-3a6481002dee" 
        "061c584a-da33-4561-a03d-fab52dae81dd" 
        "7a040620-c466-4980-8f46-e243b395e117" 
        "cce68d90-29c8-48fa-a6fd-f806fa6d0f76" 
        "f15f5ddf-8896-4f23-a4de-d96898caab64"
    ] 
    "doi" "10.25950/bbcadadf" 
    "domain" "openkim.org" 
    "extended-id" "EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005" 
    "kim-api-version" "2.0" 
    "maintainer-id" "201572cf-870c-477f-b34f-3a6481002dee" 
    "model-driver" "EAM_Dynamo__MD_120291908751_005" 
    "potential-type" "eam" 
    "publication-year" "2018" 
    "source-citations" [
        {
            "author" "Mishin, Y. and Mehl, M. J. and Papaconstantopoulos, D. A. and Voter, A. F. and Kress, J. D." 
            "doi" "10.1103/PhysRevB.63.224106" 
            "issue" "22" 
            "journal" "Physical Review B" 
            "month" "May" 
            "numpages" "16" 
            "pages" "224106" 
            "publisher" "American Physical Society" 
            "recordkey" "MO_346334655118_005a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Structural stability and lattice defects in copper: {A}b initio, tight-binding, and embedded-atom calculations" 
            "volume" "63" 
            "year" "2001"
        }
    ] 
    "species" [
        "Cu"
    ] 
    "title" "EAM potential (LAMMPS cubic hermite tabulation) for Cu developed by Mishin, Mehl and Papaconstantopoulos (2001) v005"
}