{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.962846 ] [ 0.666667 0.333333 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.537154 ] [ 0.333333 0.666667 0.037154 ] [ 0.333333 0.666667 0.75 ] [ 0.333333 0.666667 0.462846 ] [ 0.355227 0.031833 0.111905 ] [ 0.323394 0.968167 0.611905 ] [ 0.676606 0.031833 0.388095 ] [ 0.644773 0.968167 0.888095 ] [ 0.968167 0.323394 0.111905 ] [ 0.031833 0.355227 0.611905 ] [ 0.355227 0.323394 0.388095 ] [ 0.323394 0.355227 0.888095 ] [ 0.968167 0.644773 0.388095 ] [ 0.031833 0.676606 0.888095 ] [ 0.676606 0.644773 0.111905 ] [ 0.644773 0.676606 0.611905 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 4.84648496 "source-unit" "angstrom" } "c" { "source-value" 9.08588697 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.409133670999999 "source-unit" "eV" } }