{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0 ] [ 0 0.75 0.75 ] [ 0.25 0 0.25 ] [ 0 0 0 ] [ 0.75 0.25 0.5 ] [ 0 0.25 0.25 ] [ 0.25 0.5 0.75 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0.75 0.25 ] [ 0.75 0 0.75 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0 ] [ 0.5 0.25 0.75 ] [ 0.75 0.5 0.25 ] [ 0.5 0.5 0 ] [ 0.375 0.875 0.875 ] [ 0.125 0.625 0.125 ] [ 0.375 0.375 0.375 ] [ 0.125 0.125 0.625 ] [ 0.875 0.875 0.375 ] [ 0.625 0.625 0.625 ] [ 0.875 0.375 0.875 ] [ 0.625 0.125 0.125 ] [ 0.026727 0.723273 0.026727 ] [ 0.973273 0.973273 0.276727 ] [ 0.223273 0.526727 0.026727 ] [ 0.223273 0.723273 0.223273 ] [ 0.473273 0.776727 0.973273 ] [ 0.276727 0.776727 0.776727 ] [ 0.526727 0.526727 0.723273 ] [ 0.276727 0.973273 0.973273 ] [ 0.026727 0.223273 0.526727 ] [ 0.973273 0.473273 0.776727 ] [ 0.223273 0.026727 0.526727 ] [ 0.223273 0.223273 0.723273 ] [ 0.473273 0.276727 0.473273 ] [ 0.276727 0.276727 0.276727 ] [ 0.526727 0.026727 0.223273 ] [ 0.276727 0.473273 0.473273 ] [ 0.526727 0.723273 0.526727 ] [ 0.473273 0.973273 0.776727 ] [ 0.723273 0.526727 0.526727 ] [ 0.723273 0.723273 0.723273 ] [ 0.973273 0.776727 0.473273 ] [ 0.776727 0.776727 0.276727 ] [ 0.026727 0.526727 0.223273 ] [ 0.776727 0.973273 0.473273 ] [ 0.526727 0.223273 0.026727 ] [ 0.473273 0.473273 0.276727 ] [ 0.723273 0.026727 0.026727 ] [ 0.723273 0.223273 0.223273 ] [ 0.973273 0.276727 0.973273 ] [ 0.776727 0.276727 0.776727 ] [ 0.026727 0.026727 0.723273 ] [ 0.776727 0.473273 0.973273 ] [ 0.224853 0.724853 0.724853 ] [ 0.525147 0.724853 0.025147 ] [ 0.275147 0.775147 0.275147 ] [ 0.025147 0.025147 0.224853 ] [ 0.974853 0.775147 0.974853 ] [ 0.275147 0.474853 0.974853 ] [ 0.474853 0.474853 0.775147 ] [ 0.224853 0.025147 0.025147 ] [ 0.224853 0.224853 0.224853 ] [ 0.525147 0.224853 0.525147 ] [ 0.275147 0.275147 0.775147 ] [ 0.025147 0.525147 0.724853 ] [ 0.974853 0.275147 0.474853 ] [ 0.275147 0.974853 0.474853 ] [ 0.474853 0.974853 0.275147 ] [ 0.224853 0.525147 0.525147 ] [ 0.724853 0.724853 0.224853 ] [ 0.025147 0.724853 0.525147 ] [ 0.775147 0.775147 0.775147 ] [ 0.525147 0.025147 0.724853 ] [ 0.474853 0.775147 0.474853 ] [ 0.775147 0.474853 0.474853 ] [ 0.974853 0.474853 0.275147 ] [ 0.724853 0.025147 0.525147 ] [ 0.724853 0.224853 0.724853 ] [ 0.025147 0.224853 0.025147 ] [ 0.775147 0.275147 0.275147 ] [ 0.525147 0.525147 0.224853 ] [ 0.474853 0.275147 0.974853 ] [ 0.775147 0.974853 0.974853 ] [ 0.974853 0.974853 0.775147 ] [ 0.724853 0.525147 0.025147 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "C" "C" "C" "C" "C" "C" "C" "C" "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" "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" [ "diamond" ] } "a" { "source-value" 13.0630713474 "source-unit" "angstrom" } }