{"content-origin" "LAMMPS adiabatic core/shell model example (examples/coreshell in source)"
 "contributor-id" "4ad03136-ed7f-4316-b586-1e94ccceb311"
 "description" "This is a LAMMPS adiabatic core/shell model tested for simulations of diffusion in molten NaCl, developed by Mitchell and Fincham in 1993. The version with x=0.1 (shell mass fraction) for both elements is used."
 "disclaimer" "This Simulator Model initializes and provides parameters for pair and bonded interactions, as well as charges and masses. The user must define core/shell atom groups and the required temp/cs compute and thermostat fix_modify."
 "developer" ["39ff41f9-8725-4d9a-9909-4f940dbbda0e"
              "740b9a51-f930-40dd-9ae7-4b8d2d4e9bf1"]
 "doi" "10.25950/453a6777"
 "domain" "openkim.org"
 "executables" []
 "extended-id" "Sim_LAMMPS_CoreShell_MitchellFincham_1993_NaCl__SM_672022050407_000"
 "kim-api-version" "2.3"
 "maintainer-id" "4ad03136-ed7f-4316-b586-1e94ccceb311"
 "potential-type" "cs"
 "publication-year" "2023"
 "run-compatibility" "special-purpose-models"
 "simulator-name" "LAMMPS"
 "simulator-potential" "born/coul/long/cs"
 "source-citations" [{"author" "Mitchell, P. J. and Fincham, David"
                      "doi" "10.1088/0953-8984/5/8/006"
                      "journal" "Journal of Physics: Condensed Matter"
                      "number" "8"
                      "pages" "1031"
                      "publisher" "IOP Publishing"
                      "recordkey" "SM_672022050407_000a"
                      "recordprimary" "recordprimary"
                      "recordtype" "article"
                      "title" "Shell model simulations by adiabatic dynamics"
                      "volume" "5"
                      "year" "1993"}]
 "species" ["Na" "Cl"]
 "atom-type-labels" {
    "NaC" "Na"
    "NaS" "IGNORE"
    "ClC" "Cl"
    "ClS" "IGNORE"
 }
 "title" "LAMMPS adiabatic core-shell model for the Na-Cl system developed by Mitchell and Fincham (1993) v000"}