{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.764088 0.998317 0.231056 ] [ 0.764088 0.501683 0.231056 ] [ 0.235912 0.498317 0.768944 ] [ 0.235912 0.001683 0.768944 ] [ 0.21974 0.25 0.347844 ] [ 0.78026 0.75 0.652156 ] [ 0.292171 0.75 0.425694 ] [ 0.707829 0.25 0.574306 ] [ 0.271706 0.25 0.072502 ] [ 0.728294 0.75 0.927498 ] [ 0.709273 0.75 0.064783 ] [ 0.052119 0.25 0.142154 ] [ 0.467224 0.25 0.164842 ] [ 0.212173 0.942924 0.337295 ] [ 0.212173 0.557076 0.337295 ] [ 0.843129 0.25 0.42261 ] [ 0.585234 0.75 0.446453 ] [ 0.414766 0.25 0.553547 ] [ 0.156871 0.75 0.57739 ] [ 0.787827 0.442924 0.662705 ] [ 0.787827 0.057076 0.662705 ] [ 0.532776 0.75 0.835158 ] [ 0.947881 0.75 0.857846 ] [ 0.290727 0.25 0.935217 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ti" "Ti" "P" "P" "C" "C" "O" "O" "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" 5.29011184 "source-unit" "angstrom" } "b" { "source-value" 6.5574198 "source-unit" "angstrom" } "c" { "source-value" 9.06394557 "source-unit" "angstrom" } "beta" { "source-value" 90.28867091 "source-unit" "degree" } }