{ "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" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.91919 0 0.932927 ] [ 0.08081 0 0.067073 ] [ 0.41919 0.5 0.932927 ] [ 0.58081 0.5 0.067073 ] [ 0.281152 0.3931 0.345144 ] [ 0.281152 0.6069 0.345144 ] [ 0.218848 0.1069 0.654856 ] [ 0.218848 0.8931 0.654856 ] [ 0.781152 0.8931 0.345144 ] [ 0.781152 0.1069 0.345144 ] [ 0.718848 0.6069 0.654856 ] [ 0.718848 0.3931 0.654856 ] ] } "species" { "source-value" [ "Na" "Na" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.59184937 "source-unit" "angstrom" } "b" { "source-value" 6.03313264 "source-unit" "angstrom" } "c" { "source-value" 6.26628693 "source-unit" "angstrom" } "beta" { "source-value" 109.76155093 "source-unit" "degree" } }