{ "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 0 0 ] [ 0.75 0 0.75 ] [ 0 0.75 0.75 ] [ 0.75 0.75 0 ] [ 0 0.5 0.5 ] [ 0.75 0.5 0.25 ] [ 0 0.25 0.25 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0 0.25 ] [ 0.5 0.75 0.25 ] [ 0.25 0.75 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.5 0.75 ] [ 0.5 0.25 0.75 ] [ 0.25 0.25 0 ] [ 0 0 0.5 ] [ 0.5 0.75 0.75 ] [ 0.25 0 0.75 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0 ] [ 0.5 0.25 0.25 ] [ 0.25 0.5 0.25 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0 0.75 0.25 ] [ 0.75 0 0.25 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0 0.25 0.75 ] [ 0.75 0.5 0.75 ] [ 0.25 0.25 0.5 ] [ 0.875 0.875 0.875 ] [ 0.593203 0.875 0.875 ] [ 0.125 0.843203 0.125 ] [ 0.406797 0.125 0.125 ] [ 0.125 0.125 0.843203 ] [ 0.125 0.125 0.625 ] [ 0.875 0.156797 0.875 ] [ 0.125 0.125 0.125 ] [ 0.875 0.875 0.593203 ] [ 0.843203 0.125 0.125 ] [ 0.375 0.093203 0.875 ] [ 0.875 0.875 0.156797 ] [ 0.625 0.906797 0.125 ] [ 0.875 0.875 0.375 ] [ 0.156797 0.875 0.875 ] [ 0.125 0.125 0.406797 ] [ 0.875 0.375 0.375 ] [ 0.593203 0.375 0.375 ] [ 0.125 0.343203 0.625 ] [ 0.406797 0.625 0.625 ] [ 0.125 0.625 0.343203 ] [ 0.125 0.625 0.125 ] [ 0.875 0.656797 0.375 ] [ 0.125 0.625 0.625 ] [ 0.875 0.375 0.093203 ] [ 0.843203 0.625 0.625 ] [ 0.375 0.593203 0.375 ] [ 0.875 0.375 0.656797 ] [ 0.625 0.406797 0.625 ] [ 0.875 0.375 0.875 ] [ 0.156797 0.375 0.375 ] [ 0.125 0.625 0.906797 ] [ 0.375 0.875 0.375 ] [ 0.093203 0.875 0.375 ] [ 0.625 0.843203 0.625 ] [ 0.906797 0.125 0.625 ] [ 0.625 0.125 0.343203 ] [ 0.625 0.125 0.125 ] [ 0.375 0.156797 0.375 ] [ 0.625 0.125 0.625 ] [ 0.375 0.875 0.093203 ] [ 0.343203 0.125 0.625 ] [ 0.875 0.093203 0.375 ] [ 0.375 0.875 0.656797 ] [ 0.125 0.906797 0.625 ] [ 0.375 0.875 0.875 ] [ 0.656797 0.875 0.375 ] [ 0.625 0.125 0.906797 ] [ 0.375 0.375 0.875 ] [ 0.093203 0.375 0.875 ] [ 0.625 0.343203 0.125 ] [ 0.906797 0.625 0.125 ] [ 0.625 0.625 0.843203 ] [ 0.625 0.625 0.625 ] [ 0.375 0.656797 0.875 ] [ 0.625 0.625 0.125 ] [ 0.375 0.375 0.593203 ] [ 0.343203 0.625 0.125 ] [ 0.875 0.593203 0.875 ] [ 0.375 0.375 0.156797 ] [ 0.125 0.406797 0.125 ] [ 0.375 0.375 0.375 ] [ 0.656797 0.375 0.875 ] [ 0.625 0.625 0.406797 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "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" 11.8450921992 "source-unit" "angstrom" } }