{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.774186 0.5 0.77046 ] [ 0.225814 0.5 0.22954 ] [ 0.274186 0 0.77046 ] [ 0.725814 0 0.22954 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.963074 0.235766 0.177404 ] [ 0.036926 0.235766 0.822596 ] [ 0.036926 0.764234 0.822596 ] [ 0.963074 0.764234 0.177404 ] [ 0.213288 0.5 0.634932 ] [ 0.786712 0.5 0.365068 ] [ 0.463074 0.735766 0.177404 ] [ 0.536926 0.735766 0.822596 ] [ 0.536926 0.264234 0.822596 ] [ 0.463074 0.264234 0.177404 ] [ 0.713288 0 0.634932 ] [ 0.286712 0 0.365068 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Au" "Au" "Au" "Au" "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" 12.9663907689 "source-unit" "angstrom" } "b" { "source-value" 7.48102219048 "source-unit" "angstrom" } "c" { "source-value" 8.50062917577 "source-unit" "angstrom" } "beta" { "source-value" 117.736984805 "source-unit" "degree" } }