{ "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" [ [ 0.5 0.162371 0.096617 ] [ 0.5 0.837629 0.903383 ] [ 0.5 0.162371 0.403383 ] [ 0.5 0.837629 0.596617 ] [ 0 0.945121 0.25 ] [ 0 0.054879 0.75 ] [ 0 0.662371 0.096617 ] [ 0 0.337629 0.903383 ] [ 0 0.662371 0.403383 ] [ 0 0.337629 0.596617 ] [ 0.5 0.445121 0.25 ] [ 0.5 0.554879 0.75 ] [ 0 0.216159 0.25 ] [ 0 0.783841 0.75 ] [ 0.5 0.871327 0.109403 ] [ 0 0 0 ] [ 0.5 0.871327 0.390597 ] [ 0.5 0.128673 0.890597 ] [ 0 0 0.5 ] [ 0.5 0.128673 0.609403 ] [ 0.5 0.716159 0.25 ] [ 0.5 0.283841 0.75 ] [ 0 0.371327 0.109403 ] [ 0.5 0.5 0 ] [ 0 0.371327 0.390597 ] [ 0 0.628673 0.890597 ] [ 0.5 0.5 0.5 ] [ 0 0.628673 0.609403 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "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" 4.06013818 "source-unit" "angstrom" } "b" { "source-value" 10.72272943 "source-unit" "angstrom" } "c" { "source-value" 14.34947294 "source-unit" "angstrom" } }