{ "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 ] [ 0.659387 0.84241 0.5 ] [ 0.15759 0.5 0.340613 ] [ 0 0.840613 0.34241 ] [ 0.65759 0 0.159387 ] [ 0.5 0.340613 0.15759 ] [ 0.34241 0 0.840613 ] [ 0 0.159387 0.65759 ] [ 0.5 0.659387 0.84241 ] [ 0.84241 0.5 0.659387 ] [ 0.340613 0.15759 0.5 ] [ 0.840613 0.34241 0 ] [ 0.159387 0.65759 0 ] [ 0.159387 0.34241 0 ] [ 0.65759 0 0.840613 ] [ 0.5 0.340613 0.84241 ] [ 0.15759 0.5 0.659387 ] [ 0 0.840613 0.65759 ] [ 0.84241 0.5 0.340613 ] [ 0.5 0.659387 0.15759 ] [ 0 0.159387 0.34241 ] [ 0.34241 0 0.159387 ] [ 0.840613 0.65759 0 ] [ 0.340613 0.84241 0.5 ] [ 0.659387 0.15759 0.5 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "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" 9.41372604423 "source-unit" "angstrom" } }