{ "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" [ [ 0.927646 0.708247 0.687285 ] [ 0.572354 0.208247 0.812715 ] [ 0.072354 0.291753 0.312715 ] [ 0.427646 0.791753 0.187285 ] [ 0.861748 0.976161 0.125029 ] [ 0.638252 0.476161 0.374971 ] [ 0.138252 0.023839 0.874971 ] [ 0.361748 0.523839 0.625029 ] [ 0.75842 0.534254 0.004813 ] [ 0.74158 0.034254 0.495187 ] [ 0.24158 0.465746 0.995187 ] [ 0.25842 0.965746 0.504813 ] [ 0.035636 0.679341 0.326898 ] [ 0.464364 0.179341 0.173102 ] [ 0.964364 0.320659 0.673102 ] [ 0.535636 0.820659 0.826898 ] [ 0.292513 0.060931 0.222323 ] [ 0.207487 0.560931 0.277677 ] [ 0.707487 0.939069 0.777677 ] [ 0.792513 0.439069 0.722323 ] [ 0.370382 0.698438 0.877831 ] [ 0.129618 0.198438 0.622169 ] [ 0.629618 0.301562 0.122169 ] [ 0.870382 0.801562 0.377831 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.82682657612 "source-unit" "angstrom" } "b" { "source-value" 9.8044685 "source-unit" "angstrom" } "c" { "source-value" 9.43609846073 "source-unit" "angstrom" } "beta" { "source-value" 110.060583023 "source-unit" "degree" } }