{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0.232625 0.5 0.223251 ] [ 0.767375 0.5 0.776749 ] [ 0.732625 0 0.223251 ] [ 0.267375 0 0.776749 ] ] } "species" { "source-value" [ "Cu" "Cu" "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" 12.4220243156 "source-unit" "angstrom" } "b" { "source-value" 3.492558378 "source-unit" "angstrom" } "c" { "source-value" 7.54201371491 "source-unit" "angstrom" } "beta" { "source-value" 149.432963195 "source-unit" "degree" } }