{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.660424 0.843915 ] [ 0 0.160424 0.656085 ] [ 0.160424 0.656085 0 ] [ 0.656085 0 0.160424 ] [ 0.339576 0.156085 0.5 ] [ 0.843915 0.5 0.660424 ] [ 0.660424 0.843915 0.5 ] [ 0.343915 0 0.839576 ] [ 0.156085 0.5 0.339576 ] [ 0.839576 0.343915 0 ] [ 0 0.839576 0.343915 ] [ 0.5 0.339576 0.156085 ] [ 0 0.160424 0.343915 ] [ 0.5 0.660424 0.156085 ] [ 0.660424 0.156085 0.5 ] [ 0.156085 0.5 0.660424 ] [ 0.839576 0.656085 0 ] [ 0.343915 0 0.160424 ] [ 0.160424 0.343915 0 ] [ 0.843915 0.5 0.339576 ] [ 0.656085 0 0.839576 ] [ 0.339576 0.843915 0.5 ] [ 0.5 0.339576 0.843915 ] [ 0 0.839576 0.656085 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "a" { "source-value" 9.43818543 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.545367140588235 "source-unit" "eV" } }