{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.333333 0.666667 0.792205 ] [ 0.666667 0.333333 0.792205 ] [ 0.666667 0.333333 0.207795 ] [ 0.333333 0.666667 0.207795 ] [ 0 0 0 ] [ 0.5 0.5 0.315875 ] [ 0 0.5 0.684125 ] [ 0.5 0.5 0.684125 ] [ 0.5 0 0.684125 ] [ 0 0.5 0.315875 ] [ 0.5 0 0.315875 ] ] } "species" { "source-value" [ "K" "As" "As" "As" "As" "Br" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.34714546169 "source-unit" "angstrom" } "c" { "source-value" 9.23110978 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.577062213333334 "source-unit" "eV" } }