{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.019944 0.25 0.462232 ] [ 0.519944 0.75 0.037768 ] [ 0.980056 0.75 0.537768 ] [ 0.480056 0.25 0.962232 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.814841 0.595368 0.245002 ] [ 0.314841 0.404632 0.254998 ] [ 0.185159 0.095368 0.754998 ] [ 0.685159 0.904632 0.745002 ] [ 0.185159 0.404632 0.754998 ] [ 0.685159 0.595368 0.745002 ] [ 0.814841 0.904632 0.245002 ] [ 0.314841 0.095368 0.254998 ] [ 0.753276 0.25 0.706844 ] [ 0.253276 0.75 0.793156 ] [ 0.246724 0.75 0.293156 ] [ 0.746724 0.25 0.206844 ] [ 0.097389 0.53842 0.360897 ] [ 0.597389 0.46158 0.139103 ] [ 0.902611 0.03842 0.639103 ] [ 0.402611 0.96158 0.860897 ] [ 0.902611 0.46158 0.639103 ] [ 0.402611 0.53842 0.860897 ] [ 0.097389 0.96158 0.360897 ] [ 0.597389 0.03842 0.139103 ] [ 0.962108 0.25 0.860075 ] [ 0.462108 0.75 0.639925 ] [ 0.037892 0.75 0.139925 ] [ 0.537892 0.25 0.360075 ] [ 0.89135 0.75 0.846714 ] [ 0.60865 0.75 0.346714 ] [ 0.10865 0.25 0.153286 ] [ 0.39135 0.25 0.653286 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "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" 6.96074147 "source-unit" "angstrom" } "b" { "source-value" 11.24334241 "source-unit" "angstrom" } "c" { "source-value" 14.95715017 "source-unit" "angstrom" } }