{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pm-3n" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.27312 0 ] [ 0 0.72688 0 ] [ 0 0 0.27312 ] [ 0 0 0.72688 ] [ 0.27312 0 0 ] [ 0.72688 0 0 ] [ 0.5 0.22688 0.5 ] [ 0.5 0.77312 0.5 ] [ 0.5 0.5 0.22688 ] [ 0.5 0.5 0.77312 ] [ 0.22688 0.5 0.5 ] [ 0.77312 0.5 0.5 ] [ 0.5 0.25 0 ] [ 0.5 0.75 0 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.25 0 0.5 ] [ 0.75 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Y" "Y" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.16489053 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.189202442058823 "source-unit" "eV" } }