{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.893435 0.75 ] [ 0 0.106565 0.25 ] [ 0.5 0.894315 0.25 ] [ 0.5 0.105685 0.75 ] [ 0.5 0.393435 0.75 ] [ 0.5 0.606565 0.25 ] [ 0 0.394315 0.25 ] [ 0 0.605685 0.75 ] [ 0.768987 0 0 ] [ 0.5 0.839487 0.75 ] [ 0.768987 0 0.5 ] [ 0.231013 0 0 ] [ 0.5 0.160513 0.25 ] [ 0.231013 0 0.5 ] [ 0.268987 0.5 0 ] [ 0 0.339487 0.75 ] [ 0.268987 0.5 0.5 ] [ 0.731013 0.5 0 ] [ 0 0.660513 0.25 ] [ 0.731013 0.5 0.5 ] [ 0.783688 0.800099 0.033879 ] [ 0.216312 0.199901 0.533879 ] [ 0.216312 0.800099 0.033879 ] [ 0.783688 0.199901 0.533879 ] [ 0.216312 0.199901 0.966121 ] [ 0.783688 0.800099 0.466121 ] [ 0.783688 0.199901 0.966121 ] [ 0.5 0.057441 0.25 ] [ 0 0.072218 0.75 ] [ 0 0.927782 0.25 ] [ 0.5 0.942559 0.75 ] [ 0.216312 0.800099 0.466121 ] [ 0.283688 0.300099 0.033879 ] [ 0.716312 0.699901 0.533879 ] [ 0.716312 0.300099 0.033879 ] [ 0.283688 0.699901 0.533879 ] [ 0.716312 0.699901 0.966121 ] [ 0.283688 0.300099 0.466121 ] [ 0.283688 0.699901 0.966121 ] [ 0 0.557441 0.25 ] [ 0.5 0.572218 0.75 ] [ 0.5 0.427782 0.25 ] [ 0 0.442559 0.75 ] [ 0.716312 0.300099 0.466121 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.99735216601 "source-unit" "angstrom" } "b" { "source-value" 24.3386488395 "source-unit" "angstrom" } "c" { "source-value" 5.99453719 "source-unit" "angstrom" } }