{"description" "This is a \"Universal\" parameterization for the LennardJones612 model driver for all species types supported by the KIM API. The parameterization uses a shifted cutoff so that all interactions have a continuous energy function at the cutoff radius. See the README and params files for more details." "domain" "openkim.org" "extended-id" "LennardJones612_UniversalShifted__MO_959249795837_000" "kim-api-version" "1.6" "model-driver" "LennardJones612__MD_414112407348_000" "source-citations" "J. E. Jones, \"On the Determination of Molecular Fields. I. From the Variation of the Viscosity of a Gas with Temperature\", Proc. R. Soc. London, Ser. A, 106(738):441-462, 1924.\n\n J. E. Jones, \"On the Determination of Molecular Fields. II. From the Equation of State of a Gas\", Proc. R. Soc. London, Ser. A, 106(738):463-477, 1924.\n\nJ. E. Lennard-Jones, \"On the Forces between Atoms and Ions\", Proc. R. Soc. London, Ser. A, 109(752):584-597, 1925." "species" ["H" "He" "Li" "Be" "B" "C" "N" "O" "F" "Ne" "Na" "Mg" "Al" "Si" "P" "S" "Cl" "Ar" "K" "Ca" "Sc" "Ti" "V" "Cr" "Mn" "Fe" "Co" "Ni" "Cu" "Zn" "Ga" "Ge" "As" "Se" "Br" "Kr" "Rb" "Sr" "Y" "Zr" "Nb" "Mo" "Tc" "Ru" "Rh" "Pd" "Ag" "Cd" "In" "Sn" "Sb" "Te" "I" "Xe" "Cs" "Ba" "La" "Ce" "Pr" "Nd" "Pm" "Sm" "Eu" "Gd" "Tb" "Dy" "Ho" "Er" "Tm" "Yb" "Lu" "Hf" "Ta" "W" "Re" "Os" "Ir" "Pt" "Au" "Hg" "Tl" "Pb" "Bi" "Po" "At" "Rn" "Fr" "Ra" "Ac" "Th" "Pa" "U" "Np" "Pu" "Am" "Cm" "Bk" "Cf" "Es" "Fm" "Md" "No" "Lr" "Rf" "Db" "Sg" "Bh" "Hs" "Mt" "Ds" "Rg" "Cn" "Uut" "Uuq" "Uup" "Uuh" "Uus" "Uuo" "electron" "user01" "user02" "user03" "user04" "user05" "user06" "user07" "user08" "user09" "user10" "user11" "user12" "user13" "user14" "user15" "user16" "user17" "user18" "user19" "user20"] "title" "Efficient \"universal\" shifted Lennard-Jones model for all KIM API supported species" "creator" "Ryan S. Elliott" "contributor-id" "b645a915-d1fa-4155-a3da-65469f990011" "maintainer-id" "b645a915-d1fa-4155-a3da-65469f990011" "publication-year" "2015"}