{ "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 0.106805 0.75 ] [ 0 0.893195 0.25 ] [ 0.5 0.606805 0.75 ] [ 0.5 0.393195 0.25 ] [ 0.5 0.134094 0.061992 ] [ 0.5 0.865906 0.938008 ] [ 0.5 0.134094 0.438008 ] [ 0.5 0.865906 0.561992 ] [ 0 0.634094 0.061992 ] [ 0 0.365906 0.938008 ] [ 0 0.634094 0.438008 ] [ 0 0.365906 0.561992 ] [ 0 0.834224 0.75 ] [ 0 0.165777 0.25 ] [ 0.5 0.334224 0.75 ] [ 0.5 0.665776 0.25 ] [ 0.5 0.07806 0.25 ] [ 0.5 0.92194 0.75 ] [ 0.5 0.758597 0.108906 ] [ 0.5 0.241403 0.891094 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.758597 0.391094 ] [ 0.5 0.241403 0.608906 ] [ 0 0.57806 0.25 ] [ 0 0.42194 0.75 ] [ 0 0.258597 0.108906 ] [ 0 0.741403 0.891094 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.258597 0.391094 ] [ 0 0.741403 0.608906 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.23335898 "source-unit" "angstrom" } "b" { "source-value" 14.87298896 "source-unit" "angstrom" } "c" { "source-value" 14.67989493 "source-unit" "angstrom" } }