{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.475225 0.080638 0.766655 ] [ 0.524775 0.919362 0.233345 ] [ 0.975225 0.419362 0.266655 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.024775 0.580638 0.733345 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.680719 0.18119 0.066094 ] [ 0.819281 0.68119 0.433906 ] [ 0.638953 0.434864 0.738642 ] [ 0.329026 0.808988 0.580254 ] [ 0.180719 0.31881 0.566094 ] [ 0.170974 0.308988 0.919746 ] [ 0.361047 0.565136 0.261358 ] [ 0.829026 0.691012 0.080254 ] [ 0.670974 0.191012 0.419746 ] [ 0.861047 0.934864 0.761358 ] [ 0.319281 0.81881 0.933906 ] [ 0.138953 0.065136 0.238642 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Gd" "Gd" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.31541286932 "source-unit" "angstrom" } "b" { "source-value" 7.76356704394 "source-unit" "angstrom" } "c" { "source-value" 10.9900183883 "source-unit" "angstrom" } "beta" { "source-value" 90.2576019925 "source-unit" "degree" } }