{ "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" [ [ 0.855269 0 0.854723 ] [ 0.144731 0 0.145277 ] [ 0.355269 0.5 0.854723 ] [ 0.644731 0.5 0.145277 ] [ 0.074769 0.5 0.964848 ] [ 0.925231 0.5 0.035152 ] [ 0.574769 0 0.964848 ] [ 0.425231 0 0.035152 ] [ 0.824569 0 0.332348 ] [ 0.175431 0 0.667652 ] [ 0.324569 0.5 0.332348 ] [ 0.675431 0.5 0.667652 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "C" "C" "C" "C" "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" 7.12451444692 "source-unit" "angstrom" } "b" { "source-value" 3.87542067 "source-unit" "angstrom" } "c" { "source-value" 10.1286944028 "source-unit" "angstrom" } "beta" { "source-value" 94.8571029294 "source-unit" "degree" } }