{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.43818543 "source-unit" "angstrom" } }