{ "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" [ [ 0.333333 0.666667 0.060248 ] [ 0.666667 0.333333 0.560248 ] [ 0.666667 0.333333 0.939752 ] [ 0.333333 0.666667 0.439752 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.341701 0.17085 0.25 ] [ 0.17085 0.341701 0.75 ] [ 0.17085 0.82915 0.75 ] [ 0.82915 0.17085 0.25 ] [ 0.82915 0.658299 0.25 ] [ 0.658299 0.82915 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.10597236062 "source-unit" "angstrom" } "c" { "source-value" 9.63003862 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 1.6091354708333334 "source-unit" "eV" } }