{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.578062 0.875 0.875 ] [ 0.125 0.828062 0.125 ] [ 0.125 0.921938 0.625 ] [ 0.828062 0.625 0.625 ] [ 0.125 0.625 0.328062 ] [ 0.125 0.625 0.921938 ] [ 0.875 0.875 0.171938 ] [ 0.875 0.671938 0.375 ] [ 0.875 0.578062 0.875 ] [ 0.875 0.875 0.578062 ] [ 0.421938 0.625 0.625 ] [ 0.171938 0.875 0.875 ] [ 0.578062 0.375 0.375 ] [ 0.125 0.328062 0.625 ] [ 0.125 0.421938 0.125 ] [ 0.828062 0.125 0.125 ] [ 0.125 0.125 0.828062 ] [ 0.125 0.125 0.421938 ] [ 0.875 0.375 0.671938 ] [ 0.875 0.171938 0.875 ] [ 0.875 0.078062 0.375 ] [ 0.875 0.375 0.078062 ] [ 0.421938 0.125 0.125 ] [ 0.171938 0.375 0.375 ] [ 0.078062 0.875 0.375 ] [ 0.625 0.828062 0.625 ] [ 0.625 0.921938 0.125 ] [ 0.328062 0.625 0.125 ] [ 0.625 0.625 0.828062 ] [ 0.625 0.625 0.421938 ] [ 0.375 0.875 0.671938 ] [ 0.375 0.671938 0.875 ] [ 0.375 0.578062 0.375 ] [ 0.375 0.875 0.078062 ] [ 0.921938 0.625 0.125 ] [ 0.671938 0.875 0.375 ] [ 0.078062 0.375 0.875 ] [ 0.625 0.328062 0.125 ] [ 0.625 0.421938 0.625 ] [ 0.328062 0.125 0.625 ] [ 0.625 0.125 0.328062 ] [ 0.625 0.125 0.921938 ] [ 0.375 0.375 0.171938 ] [ 0.375 0.171938 0.375 ] [ 0.375 0.078062 0.875 ] [ 0.375 0.375 0.578062 ] [ 0.921938 0.125 0.625 ] [ 0.671938 0.375 0.875 ] [ 0.792312 0.957688 0.957688 ] [ 0.042312 0.542312 0.707688 ] [ 0.207688 0.707688 0.707688 ] [ 0.042312 0.707688 0.542312 ] [ 0.792312 0.792312 0.792312 ] [ 0.957688 0.792312 0.957688 ] [ 0.957688 0.957688 0.792312 ] [ 0.207688 0.542312 0.542312 ] [ 0.792312 0.457688 0.457688 ] [ 0.042312 0.042312 0.207688 ] [ 0.207688 0.207688 0.207688 ] [ 0.042312 0.207688 0.042312 ] [ 0.792312 0.292312 0.292312 ] [ 0.957688 0.292312 0.457688 ] [ 0.957688 0.457688 0.292312 ] [ 0.207688 0.042312 0.042312 ] [ 0.292312 0.957688 0.457688 ] [ 0.542312 0.542312 0.207688 ] [ 0.707688 0.707688 0.207688 ] [ 0.542312 0.707688 0.042312 ] [ 0.292312 0.792312 0.292312 ] [ 0.457688 0.792312 0.457688 ] [ 0.457688 0.957688 0.292312 ] [ 0.707688 0.542312 0.042312 ] [ 0.292312 0.457688 0.957688 ] [ 0.542312 0.042312 0.707688 ] [ 0.707688 0.207688 0.707688 ] [ 0.542312 0.207688 0.542312 ] [ 0.292312 0.292312 0.792312 ] [ 0.457688 0.292312 0.957688 ] [ 0.457688 0.457688 0.792312 ] [ 0.707688 0.042312 0.542312 ] [ 0 0.75 0.75 ] [ 0.25 0.75 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0.5 0.75 ] [ 0 0.25 0.25 ] [ 0.25 0.25 0 ] [ 0 0 0 ] [ 0.25 0 0.25 ] [ 0.5 0.75 0.25 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0 ] [ 0.75 0.5 0.25 ] [ 0.5 0.25 0.75 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 13.8288526564 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.1851690945833333 "source-unit" "eV" } }