{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.269584 0 0 ] [ 0 0.730416 0 ] [ 0 0 0.730416 ] [ 0 0 0.269584 ] [ 0 0.269584 0 ] [ 0.730416 0 0 ] [ 0.269584 0.5 0.5 ] [ 0 0.230416 0.5 ] [ 0 0.5 0.230416 ] [ 0 0.5 0.769584 ] [ 0 0.769584 0.5 ] [ 0.730416 0.5 0.5 ] [ 0.769584 0 0.5 ] [ 0.5 0.730416 0.5 ] [ 0.5 0 0.230416 ] [ 0.5 0 0.769584 ] [ 0.5 0.269584 0.5 ] [ 0.230416 0 0.5 ] [ 0.769584 0.5 0 ] [ 0.5 0.230416 0 ] [ 0.5 0.5 0.730416 ] [ 0.5 0.5 0.269584 ] [ 0.5 0.769584 0 ] [ 0.230416 0.5 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Nd" "Nd" "Nd" "Nd" "Ru" "Ru" "Ru" "Ru" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 8.60209212208 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.100765574 "source-unit" "eV" } }