{ "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" } "basis-atom-coordinates" { "source-value" [ [ 0.277511 0.355905 0.69901 ] [ 0.722489 0.644095 0.19901 ] [ 0.355905 0.078394 0.19901 ] [ 0.644095 0.921606 0.69901 ] [ 0.921606 0.277511 0.19901 ] [ 0.078394 0.722489 0.69901 ] [ 0 0 0.873369 ] [ 0 0 0.373369 ] [ 0.666667 0.333333 0.741709 ] [ 0.333333 0.666667 0.241709 ] [ 0.538753 0.741025 0.032563 ] [ 0.461247 0.258975 0.532563 ] [ 0.258975 0.797728 0.032563 ] [ 0.059483 0.877513 0.364476 ] [ 0.940517 0.122487 0.864476 ] [ 0.202272 0.461247 0.032563 ] [ 0.51798 0.388071 0.972792 ] [ 0.797728 0.538753 0.532563 ] [ 0.818029 0.940517 0.364476 ] [ 0.741025 0.202272 0.532563 ] [ 0.122487 0.181971 0.364476 ] [ 0.870092 0.48202 0.972792 ] [ 0.611929 0.129908 0.972792 ] [ 0.48202 0.611929 0.472792 ] [ 0.129908 0.51798 0.472792 ] [ 0.181971 0.059483 0.864476 ] [ 0.877513 0.818029 0.864476 ] [ 0.388071 0.870092 0.472792 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "B" "B" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.57578119959 "source-unit" "angstrom" } "c" { "source-value" 5.39747926 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.198028144642857 "source-unit" "eV" } }