{ "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" [ [ 0.190657 0.5 0.300956 ] [ 0 0.5 0 ] [ 0.809343 0.5 0.699044 ] [ 0.690657 0 0.300956 ] [ 0.5 0 0 ] [ 0.309343 0 0.699044 ] [ 0.104552 0 0.782684 ] [ 0.017024 0.5 0.637346 ] [ 0.895448 0 0.217316 ] [ 0.07903 0 0.527725 ] [ 0.92097 0 0.472275 ] [ 0.197742 0.5 0.911276 ] [ 0.982976 0.5 0.362654 ] [ 0.802258 0.5 0.088724 ] [ 0.604552 0.5 0.782684 ] [ 0.517024 0 0.637346 ] [ 0.395448 0.5 0.217316 ] [ 0.57903 0.5 0.527725 ] [ 0.42097 0.5 0.472275 ] [ 0.697742 0 0.911276 ] [ 0.482976 0 0.362654 ] [ 0.302258 0 0.088724 ] [ 0.039162 0 0.284403 ] [ 0.156872 0.5 0.646605 ] [ 0.843128 0.5 0.353395 ] [ 0.960838 0 0.715597 ] [ 0.841271 0 0.975737 ] [ 0.158729 0 0.024263 ] [ 0.539162 0.5 0.284403 ] [ 0.656872 0 0.646605 ] [ 0.343128 0 0.353395 ] [ 0.460838 0.5 0.715597 ] [ 0.341271 0.5 0.975737 ] [ 0.658729 0.5 0.024263 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 18.0193202747 "source-unit" "angstrom" } "b" { "source-value" 3.98645083 "source-unit" "angstrom" } "c" { "source-value" 10.123132517 "source-unit" "angstrom" } "beta" { "source-value" 105.237682561 "source-unit" "degree" } }