{ "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" [ [ 0.42653 0.503034 0.214042 ] [ 0.57347 0.003034 0.285958 ] [ 0.57347 0.496966 0.785958 ] [ 0.42653 0.996966 0.714042 ] [ 0.683274 0.744366 0.647725 ] [ 0.316726 0.244366 0.852275 ] [ 0.316726 0.255634 0.352275 ] [ 0.683274 0.755634 0.147725 ] [ 0.208941 0.739188 0.422137 ] [ 0.791059 0.239188 0.077863 ] [ 0.791059 0.260812 0.577863 ] [ 0.208941 0.760812 0.922137 ] [ 0.182724 0.868444 0.425453 ] [ 0.817276 0.368444 0.074547 ] [ 0.817276 0.131556 0.574547 ] [ 0.182724 0.631556 0.925453 ] [ 0.987134 0.661603 0.295057 ] [ 0.012866 0.161603 0.204943 ] [ 0.012866 0.338397 0.704943 ] [ 0.987134 0.838397 0.795057 ] [ 0.494994 0.673926 0.559848 ] [ 0.505006 0.173926 0.940152 ] [ 0.505006 0.326074 0.440152 ] [ 0.494994 0.826074 0.059848 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "H" "H" "H" "H" "C" "C" "C" "C" "O" "O" "O" "O" "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" 3.53871402 "source-unit" "angstrom" } "b" { "source-value" 9.78177318 "source-unit" "angstrom" } "c" { "source-value" 8.11133184 "source-unit" "angstrom" } "beta" { "source-value" 112.1945548 "source-unit" "degree" } }