{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.11646 ] [ 0.666667 0.333333 0.61646 ] [ 0.666667 0.333333 0.88354 ] [ 0.333333 0.666667 0.38354 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.850854 ] [ 0.666667 0.333333 0.350854 ] [ 0.666667 0.333333 0.149146 ] [ 0.333333 0.666667 0.649146 ] [ 0.530784 0.061567 0.25 ] [ 0.469216 0.530784 0.75 ] [ 0.061567 0.530784 0.75 ] [ 0.938433 0.469216 0.25 ] [ 0.530784 0.469216 0.25 ] [ 0.469216 0.938433 0.75 ] [ 0.365823 0.182911 0.093573 ] [ 0.182911 0.365823 0.593573 ] [ 0.182911 0.817089 0.593573 ] [ 0.817089 0.182911 0.093573 ] [ 0.817089 0.634177 0.093573 ] [ 0.182911 0.817089 0.906427 ] [ 0.634177 0.817089 0.906427 ] [ 0.634177 0.817089 0.593573 ] [ 0.182911 0.365823 0.906427 ] [ 0.817089 0.634177 0.406427 ] [ 0.817089 0.182911 0.406427 ] [ 0.365823 0.182911 0.406427 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Na" "Na" "Re" "Re" "Re" "Re" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.12574632283 "source-unit" "angstrom" } "c" { "source-value" 14.5511628 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.763164696333333 "source-unit" "eV" } }