{
    "content-other-locations" "https://arxiv.org/abs/1806.04777\nhttps://doi.org/10.1103/PhysRevB.98.094104" 
    "contributor-id" "e5131db4-a5f4-401b-b7cd-b0df1dbbc1af" 
    "description" "A spectral neighbor analysis potential for Ni-Mo chemistries. The potential is trained against diverse and large materials data, including undistorted ground state structures for Ni, Mo and the two binary intermetallics Ni3Mo and Ni4Mo; distorted structures constructed by applying different strains to a bulk supercell; surface structures of elemental structures; ab-initio molecular dynamics (AIMD) simulated random structures at different temperatures; alloy structures constructed by partial substitution of supercells of the bulk fcc Ni with Mo and the bulk bcc Mo with Ni. The potential gives accurate predictions of structural energies, forces, elasticity, lattice parameters, vacancy migration barrier, equation-of-state, phonon, free energies, melting point, surface energies, and Ni-Mo phase diagram." 
    "developer" [
        "802ed5f8-01e2-4fe6-87f9-e2c7f8f47ae7" 
        "f53d352a-d81d-4808-8935-ffdbecc6e024" 
        "e5131db4-a5f4-401b-b7cd-b0df1dbbc1af" 
        "b0f22d8c-cf78-4215-b781-c110020850a3" 
        "48d590b5-bf20-4376-a1b2-d5464b39962d" 
        "40313cf5-d4a5-489e-8e22-2d6e9c97176e"
    ] 
    "disclaimer" "This potential is designed for Ni-Mo chemistries, including both the elementary and binary systems.  The potential was trained using LAMMPS version 17Nov2016. Newer LAMMPS may see energy differences, but the relative values should remain to be the same." 
    "doi" "10.25950/f3abd33c" 
    "domain" "openkim.org" 
    "executables" [] 
    "extended-id" "SNAP_LiHuChen_2018_NiMo__MO_468686727341_000" 
    "kim-api-version" "2.0" 
    "maintainer-id" "e5131db4-a5f4-401b-b7cd-b0df1dbbc1af" 
    "model-driver" "SNAP__MD_536750310735_000" 
    "potential-type" "snap" 
    "publication-year" "2020" 
    "source-citations" [
        {
            "author" "Li, Xiang-Guo and Hu, Chongze and Chen, Chi and Deng, Zhi and Luo, Jian and Ong, Shyue Ping" 
            "doi" "10.1103/PhysRevB.98.094104" 
            "journal" "Physical Review B" 
            "month" "sep" 
            "number" "9" 
            "pages" "094104" 
            "recordkey" "MO_468686727341_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Quantum-Accurate Spectral Neighbor Analysis Potential Models for {{Ni}}-{{Mo}} Binary Alloys and Fcc Metals" 
            "volume" "98" 
            "year" "2018"
        }
    ] 
    "species" [
        "Ni" 
        "Mo"
    ] 
    "title" "A spectral neighbor analysis potential for Ni-Mo developed by Xiangguo Li (2019) v000"
}