{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0 0.344866 0.344866 ] [ 0.266612 0.266612 0.5 ] [ 0.155436 0.155436 0.844564 ] [ 0.844564 0.155436 0.844564 ] [ 0.5 0.266612 0.266612 ] [ 0.655134 0.655134 0 ] [ 0.344866 0.344866 0 ] [ 0.344866 0.655134 0 ] [ 0 0.344866 0.655134 ] [ 0.844564 0.844564 0.844564 ] [ 0.655134 0.344866 0 ] [ 0.655134 0 0.655134 ] [ 0.655134 0 0.344866 ] [ 0.733388 0.266612 0.5 ] [ 0.266612 0.5 0.733388 ] [ 0 0.655134 0.655134 ] [ 0.344866 0 0.344866 ] [ 0.155436 0.844564 0.155436 ] [ 0.5 0.733388 0.733388 ] [ 0.5 0.5 0.5 ] [ 0.844564 0.844564 0.155436 ] [ 0.5 0.733388 0.266612 ] [ 0 0.655134 0.344866 ] [ 0.733388 0.5 0.733388 ] [ 0.266612 0.5 0.266612 ] [ 0.5 0.266612 0.733388 ] [ 0.844564 0.155436 0.155436 ] [ 0.155436 0.844564 0.844564 ] [ 0.266612 0.733388 0.5 ] [ 0.344866 0 0.655134 ] [ 0.733388 0.733388 0.5 ] [ 0.733388 0.5 0.266612 ] [ 0.155436 0.155436 0.155436 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "sc" ] } "a" { "source-value" 9.50980886 "source-unit" "angstrom" } }