{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.753931 0 0 ] [ 0 0.753931 0 ] [ 0 0.246069 0 ] [ 0 0 0.753931 ] [ 0.246069 0 0 ] [ 0 0 0.246069 ] [ 0.753931 0.5 0.5 ] [ 0 0.253931 0.5 ] [ 0 0.746069 0.5 ] [ 0 0.5 0.253931 ] [ 0.246069 0.5 0.5 ] [ 0 0.5 0.746069 ] [ 0.253931 0 0.5 ] [ 0.5 0.753931 0.5 ] [ 0.5 0.246069 0.5 ] [ 0.5 0 0.253931 ] [ 0.746069 0 0.5 ] [ 0.5 0 0.746069 ] [ 0.253931 0.5 0 ] [ 0.5 0.253931 0 ] [ 0.5 0.746069 0 ] [ 0.5 0.5 0.753931 ] [ 0.746069 0.5 0 ] [ 0.5 0.5 0.246069 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Tl" "Tl" "Tl" "Tl" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 8.88394453176 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.161614655999999 "source-unit" "eV" } }