{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.30941 0 0 ] [ 0 0.30941 0 ] [ 0 0.69059 0 ] [ 0 0 0.69059 ] [ 0 0 0.30941 ] [ 0.69059 0 0 ] [ 0.80941 0.5 0.5 ] [ 0.5 0.80941 0.5 ] [ 0.5 0.19059 0.5 ] [ 0.5 0.5 0.19059 ] [ 0.5 0.5 0.80941 ] [ 0.19059 0.5 0.5 ] [ 0.25 0 0.5 ] [ 0 0.25 0.5 ] [ 0.5 0.25 0 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.25 0.5 0 ] [ 0 0 0 ] [ 0.75 0.5 0 ] [ 0.5 0.75 0 ] [ 0 0.75 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.75 0 0.5 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "U" "U" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "Ru" "Ru" "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" } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 8.35362700264 "source-unit" "angstrom" } }