{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.350356 0.350356 0.350356 ] [ 0.350356 0.149644 0.850356 ] [ 0.149644 0.850356 0.350356 ] [ 0.850356 0.350356 0.149644 ] [ 0.649644 0.649644 0.649644 ] [ 0.149644 0.649644 0.850356 ] [ 0.850356 0.149644 0.649644 ] [ 0.649644 0.850356 0.149644 ] [ 0.778187 0.292944 0.02048 ] [ 0.207056 0.97952 0.278187 ] [ 0.221813 0.792944 0.47952 ] [ 0.278187 0.207056 0.97952 ] [ 0.278187 0.292944 0.47952 ] [ 0.47952 0.278187 0.292944 ] [ 0.292944 0.47952 0.278187 ] [ 0.207056 0.52048 0.778187 ] [ 0.97952 0.221813 0.707056 ] [ 0.707056 0.97952 0.221813 ] [ 0.02048 0.721813 0.792944 ] [ 0.52048 0.778187 0.207056 ] [ 0.792944 0.02048 0.721813 ] [ 0.778187 0.207056 0.52048 ] [ 0.721813 0.792944 0.02048 ] [ 0.221813 0.707056 0.97952 ] [ 0.721813 0.707056 0.52048 ] [ 0.52048 0.721813 0.707056 ] [ 0.707056 0.52048 0.721813 ] [ 0.792944 0.47952 0.221813 ] [ 0.02048 0.778187 0.292944 ] [ 0.292944 0.02048 0.778187 ] [ 0.97952 0.278187 0.207056 ] [ 0.47952 0.221813 0.792944 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "N" "N" "N" "N" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.99213065 "source-unit" "angstrom" } }