{ "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 0.5 0.5 ] [ 0 0 0 ] [ 0.554049 0.768596 0.375881 ] [ 0.445951 0.231404 0.624119 ] [ 0.554049 0.731404 0.875881 ] [ 0.445951 0.268596 0.124119 ] [ 0.157221 0.333511 0.147103 ] [ 0.157221 0.166489 0.647103 ] [ 0.842779 0.666489 0.852897 ] [ 0.842779 0.833511 0.352897 ] [ 0.632873 0.233266 0.114376 ] [ 0.367127 0.766734 0.885624 ] [ 0.632873 0.266734 0.614376 ] [ 0.367127 0.733266 0.385624 ] ] } "species" { "source-value" [ "Hg" "Hg" "C" "C" "C" "C" "Se" "Se" "Se" "Se" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.16058260698 "source-unit" "angstrom" } "b" { "source-value" 4.52351833277 "source-unit" "angstrom" } "c" { "source-value" 12.4713809866 "source-unit" "angstrom" } "beta" { "source-value" 92.5981071185 "source-unit" "degree" } }