{ "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" [ [ 0.340365 0 0 ] [ 0 0.340365 0 ] [ 0 0.659635 0 ] [ 0 0 0.659635 ] [ 0 0 0.340365 ] [ 0.659635 0 0 ] [ 0.840365 0.5 0.5 ] [ 0.5 0.840365 0.5 ] [ 0.5 0.159635 0.5 ] [ 0.5 0.5 0.159635 ] [ 0.5 0.5 0.840365 ] [ 0.159635 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 ] [ 0.165919 0.165919 0.165919 ] [ 0.834081 0.165919 0.165919 ] [ 0.165919 0.834081 0.165919 ] [ 0.165919 0.165919 0.834081 ] [ 0.834081 0.165919 0.834081 ] [ 0.834081 0.834081 0.165919 ] [ 0.165919 0.834081 0.834081 ] [ 0.834081 0.834081 0.834081 ] [ 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 ] [ 0.665919 0.665919 0.665919 ] [ 0.334081 0.665919 0.665919 ] [ 0.665919 0.334081 0.665919 ] [ 0.665919 0.665919 0.334081 ] [ 0.334081 0.665919 0.334081 ] [ 0.334081 0.334081 0.665919 ] [ 0.665919 0.334081 0.334081 ] [ 0.334081 0.334081 0.334081 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "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" 8.86440211195 "source-unit" "angstrom" } }