{ "contributor-id" "b645a915-d1fa-4155-a3da-65469f990011" "description" "This Model Driver implements a C^2 continuous Morse pair potential with its tail given by a fifth-order polynomial. It takes five parameters: (1) the cutoff separation in angstroms, (2) the transition percentage defining the size of the tail, (3) the epsilon parameter in eV, (4) the C parameter in inverse angstroms, and (5) the equilibrium pair separation 'Rzero' in angstroms. The potential is C^2 continuous and has zero for its value and first and second derivatives at the cutoff separation." "developer" [ "eb124224-7e88-4582-ac67-15d48347bbba" ] "doi" "10.25950/832d85a9" "domain" "openkim.org" "executables" [] "extended-id" "Morse_QuinticSmoothed__MD_093895395358_003" "implementer" [ "b645a915-d1fa-4155-a3da-65469f990011" ] "kim-api-version" "2.0" "maintainer-id" "b645a915-d1fa-4155-a3da-65469f990011" "publication-year" "2019" "source-citations" [ { "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" "MD_093895395358_003a" "recordtype" "article" "title" "On the Determination of Molecular Fields. II. {F}rom the Equation of State of a Gas" "volume" "106" "year" "1924" } ] "title" "Morse pair potential with C^2 continuous 5th order polynomial tail v003" }