{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0 0 0.182268 ] [ 0 0 0.817732 ] [ 0 0.817732 0 ] [ 0.817732 0 0 ] [ 0 0.182268 0 ] [ 0.182268 0 0 ] [ 0 0.5 0.682268 ] [ 0 0.5 0.317732 ] [ 0 0.317732 0.5 ] [ 0.817732 0.5 0.5 ] [ 0 0.682268 0.5 ] [ 0.182268 0.5 0.5 ] [ 0.5 0 0.682268 ] [ 0.5 0 0.317732 ] [ 0.5 0.817732 0.5 ] [ 0.317732 0 0.5 ] [ 0.5 0.182268 0.5 ] [ 0.682268 0 0.5 ] [ 0.5 0.5 0.182268 ] [ 0.5 0.5 0.817732 ] [ 0.5 0.317732 0 ] [ 0.317732 0.5 0 ] [ 0.5 0.682268 0 ] [ 0.682268 0.5 0 ] [ 0.70257 0 0 ] [ 0.5 0.20257 0 ] [ 0 0 0.70257 ] [ 0 0 0.29743 ] [ 0.5 0.79743 0 ] [ 0.29743 0 0 ] [ 0.70257 0.5 0.5 ] [ 0.5 0.70257 0.5 ] [ 0 0.5 0.20257 ] [ 0 0.5 0.79743 ] [ 0.5 0.29743 0.5 ] [ 0.29743 0.5 0.5 ] [ 0.20257 0 0.5 ] [ 0 0.20257 0.5 ] [ 0.5 0 0.20257 ] [ 0.5 0 0.79743 ] [ 0 0.79743 0.5 ] [ 0.79743 0 0.5 ] [ 0.20257 0.5 0 ] [ 0 0.70257 0 ] [ 0.5 0.5 0.70257 ] [ 0.5 0.5 0.29743 ] [ 0 0.29743 0 ] [ 0.79743 0.5 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 10.2469933552 "source-unit" "angstrom" } }