{"creator" "Ryan S. Elliott" "contributor-id" "b645a915-d1fa-4155-a3da-65469f990011" "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." "disclaimer" "This model was automatically fit using Lorentz-Berthelot mixing rules. It reproduces the dimer equilibrium separation (covalent radii) and the bond dissociation energies. It has not been fitted to other physical properties and its ability to model structures other than dimers is unknown." "domain" "openkim.org" "extended-id" "LennardJones612_UniversalShifted__MO_959249795837_002" "kim-api-version" "1.6" "maintainer-id" "b645a915-d1fa-4155-a3da-65469f990011" "model-driver" "LennardJones612__MD_414112407348_002" "publication-year" "2018" "source-citations" [{"author" "J. E. Jones" "doi" "10.1098/rspa.1924.0081" "journal" "Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences" "number" "738" "pages" "441--462" "publisher" "The Royal Society" "recordkey" "MO_959249795837_002a" "recordtype" "article" "title" "On the Determination of Molecular Fields. {I}. {F}rom the Variation of the Viscosity of a Gas with Temperature" "volume" "106" "year" "1924"} {"author" "J. E. Jones" "doi" "10.1098/rspa.1924.0082" "journal" "Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences" "number" "738" "pages" "463--477" "publisher" "The Royal Society" "recordkey" "MO_959249795837_002b" "recordtype" "article" "title" "On the Determination of Molecular Fields. {II}. {F}rom the Equation of State of a Gas" "volume" "106" "year" "1924"} {"author" "J. E. Lennard-Jones" "doi" "10.1098/rspa.1925.0147" "journal" "Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences" "number" "752" "pages" "584--497" "publisher" "The Royal Society" "recordkey" "MO_959249795837_002c" "recordtype" "article" "title" "On the Forces between Atoms and Ions" "volume" "109" "year" "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"}