{ "contributor-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "description" "Lennard-Jones (LJ) parameterization for Ne. The LJ parameters epsilon and sigma are due to Bernardes (1958). The cutoff radius is set so that phi(rcut)=tol*|phi(rmin)|, where phi(r) is the LJ potential, 'rcut' is the cutoff radius, 'rmin' is the radius at which phi(r) is a minimum, and 'tol' is a small number. Here 'tol' is taken to be 1.e-3 for a \"medium-precision\". See the parameter file (.params) for more details." "developer" [ "7d38493b-56c7-4c4d-8f34-c0739a221d0b" ] "doi" "10.25950/c8a479b6" "domain" "openkim.org" "extended-id" "LJ_Shifted_Bernardes_1958MedCutoff_Ne__MO_160637895352_004" "kim-api-version" "2.0" "maintainer-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "model-driver" "LJ_Shifted__MD_498634107543_004" "potential-type" "lj" "publication-year" "2020" "source-citations" [ { "author" "Newton Bernardes" "doi" "10.1103/PhysRev.112.1534" "issue" "5" "journal" "Physical Review" "pages" "1534--1539" "publisher" "American Physical Society" "recordkey" "MO_160637895352_004a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Theory of Solid {N}e, {A}, {K}r, and {X}e at 0{K}" "volume" "112" "year" "1958" } ] "species" [ "Ne" ] "title" "Lennard-Jones model (shifted) for Ne with parameters from Bernardes (1958) (medium precision cutoff) v004" }