{
    "contributor-id" "8283ed9e-ec2a-491a-83e4-ec93eae4139e" 
    "description" "An interionic potential for silica which is derived by fitting the parameters to data generated by Car-Parrinello molecular-dynamics (CPMD) simulations. It reproduces accurately the liquid structure generated by the CPMD trajectories, the experimental activation energies for the self-diffusion constants and the experimental density of amorphous silica. Also lattice parameters and elastic constants of \u03b1-quartz are well reproduced, showing the transferability of this potential." 
    "developer" [
        "f165db4e-7b58-4df0-9d4e-e0f12fed97b1" 
        "4a55a462-c171-4d8e-866c-ef587cd58d1c" 
        "fab8c3e4-177e-4f5f-ba5d-8850bd88bfd5" 
        "48c8baf4-31ad-456e-b9ca-d499d4f68b0d"
    ] 
    "doi" "10.25950/dbac5d53" 
    "domain" "openkim.org" 
    "executables" [] 
    "extended-id" "Sim_LAMMPS_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000" 
    "funding" [
        {
            "award-number" "814572" 
            "award-title" "Innovative Nanoinformatics models and tools: towards a Solid, verified and Integrated Approach to Predictive (eco)Toxicology (NanoSolveIT)" 
            "award-uri" "https://cordis.europa.eu/project/id/814572" 
            "funder-name" "EU H2020"
        }
    ] 
    "implementer" [
        "8283ed9e-ec2a-491a-83e4-ec93eae4139e" 
        "3c20a9f6-e1ec-43ae-aedc-9d489d81802b"
    ] 
    "kim-api-version" "2.2" 
    "maintainer-id" "8283ed9e-ec2a-491a-83e4-ec93eae4139e" 
    "potential-type" "buckingham" 
    "publication-year" "2021" 
    "run-compatibility" "portable-models" 
    "simulator-name" "LAMMPS" 
    "simulator-potential" "buck/coul/long" 
    "source-citations" [
        {
            "author" "Carr\\'{e}, A. and Horbach, J. and Ispas, S. and Kob, W." 
            "doi" "10.1209/0295-5075/82/17001" 
            "journal" "Europhysics Letters" 
            "pages" "17001" 
            "recordkey" "SM_886641404623_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "New fitting scheme to obtain effective potential from {C}ar-{P}arrinello molecular-dynamics simulations: {A}pplication to silica" 
            "volume" "82" 
            "year" "2008 "
        }
    ] 
    "species" [
        "Si" 
        "O"
    ] 
    "title" "LAMMPS Buckingham potential for SiO2 developed by Carr\u00e9 et al. (2008) v000"
}