{ "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/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.387551 0 0.75 ] [ 0.387551 0.387551 0.25 ] [ 0 0.612449 0.25 ] [ 0 0.387551 0.75 ] [ 0.612449 0.612449 0.75 ] [ 0.612449 0 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.731097 0 0.75 ] [ 0.731097 0.731097 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.268903 0 0.25 ] [ 0.268903 0.268903 0.75 ] [ 0 0.731097 0.75 ] [ 0 0.268903 0.25 ] ] } "species" { "source-value" [ "Sc" "Sc" "U" "U" "U" "U" "U" "U" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "a" { "source-value" 9.21917197217 "source-unit" "angstrom" } "c" { "source-value" 6.2164806 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.219791162777778 "source-unit" "eV" } }