{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.415895 0.415895 0.5 ] [ 0.584105 0 0.5 ] [ 0 0.584105 0.5 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0 0.250991 0 ] [ 0.250991 0 0 ] [ 0.749009 0.749009 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "P" "P" "P" "Ru" "Ru" "Ru" ] } "a" { "source-value" 6.26706483127 "source-unit" "angstrom" } "c" { "source-value" 3.67304858 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.544733885555555 "source-unit" "eV" } }