{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.741244 0.983742 0.1184 ] [ 0.758756 0.483742 0.3816 ] [ 0.258756 0.016258 0.8816 ] [ 0.241244 0.516258 0.6184 ] [ 0.126994 0.289505 0.167315 ] [ 0.373006 0.789505 0.332685 ] [ 0.873006 0.710495 0.832685 ] [ 0.626994 0.210495 0.667315 ] ] } "species" { "source-value" [ "Rb" "Rb" "Au" "Au" "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" 7.70121681298 "source-unit" "angstrom" } "b" { "source-value" 6.36151679 "source-unit" "angstrom" } "c" { "source-value" 9.35314176612 "source-unit" "angstrom" } "beta" { "source-value" 101.87275211 "source-unit" "degree" } }