{ "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 0.421522 ] [ 0.666667 0.333333 0.578478 ] [ 0.333333 0.666667 0.078478 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.921522 ] [ 0 0 0.18751 ] [ 0 0 0.68751 ] [ 0 0 0.81249 ] [ 0 0 0.31249 ] [ 0.666667 0.333333 0.159678 ] [ 0.666667 0.333333 0.340322 ] [ 0.333333 0.666667 0.840322 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.659678 ] [ 0 0 0 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "Cu" "Cu" "Cu" "Cu" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.40444307705 "source-unit" "angstrom" } "c" { "source-value" 22.55585491 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.920332189375 "source-unit" "eV" } }