{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.394839 0.605161 0.105161 ] [ 0.056844 0.5 0.25 ] [ 0.25 0.943156 0 ] [ 0.5 0.75 0.443156 ] [ 0.605161 0.105161 0.394839 ] [ 0.605161 0.894839 0.105161 ] [ 0.394839 0.394839 0.394839 ] [ 0.25 0.056844 0.5 ] [ 0 0.75 0.556844 ] [ 0.943156 0 0.25 ] [ 0.894839 0.105161 0.605161 ] [ 0.556844 0 0.75 ] [ 0.75 0.443156 0.5 ] [ 0 0.25 0.943156 ] [ 0.105161 0.605161 0.894839 ] [ 0.105161 0.394839 0.605161 ] [ 0.894839 0.894839 0.894839 ] [ 0.75 0.556844 0 ] [ 0.5 0.25 0.056844 ] [ 0.443156 0.5 0.75 ] [ 0.201643 0.798357 0.298357 ] [ 0.298357 0.798357 0.701643 ] [ 0.798357 0.701643 0.298357 ] [ 0.201643 0.201643 0.201643 ] [ 0.701643 0.298357 0.798357 ] [ 0.798357 0.298357 0.201643 ] [ 0.298357 0.201643 0.798357 ] [ 0.701643 0.701643 0.701643 ] [ 0.623921 0.5 0.25 ] [ 0.75 0.876079 0.5 ] [ 0.5 0.75 0.876079 ] [ 0.25 0.623921 0.5 ] [ 0 0.75 0.123921 ] [ 0.376079 0 0.25 ] [ 0.123921 0 0.75 ] [ 0.25 0.376079 0 ] [ 0 0.25 0.376079 ] [ 0.75 0.123921 0 ] [ 0.5 0.25 0.623921 ] [ 0.876079 0.5 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ru" "Ru" "Ru" "Ru" "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" 9.67847847 "source-unit" "angstrom" } }