{ "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" [ [ 0.768655 0.5063 0.242634 ] [ 0.768655 0.9937 0.242634 ] [ 0.231345 0.4937 0.757366 ] [ 0.231345 0.0063 0.757366 ] [ 0.221429 0.25 0.356388 ] [ 0.778571 0.75 0.643612 ] [ 0.293573 0.75 0.425197 ] [ 0.706427 0.25 0.574803 ] [ 0.27213 0.25 0.074346 ] [ 0.72787 0.75 0.925654 ] [ 0.716172 0.75 0.065089 ] [ 0.053507 0.25 0.144948 ] [ 0.474124 0.25 0.159557 ] [ 0.210388 0.940634 0.331074 ] [ 0.210388 0.559366 0.331074 ] [ 0.834577 0.25 0.4205 ] [ 0.594424 0.75 0.445994 ] [ 0.405576 0.25 0.554006 ] [ 0.165423 0.75 0.5795 ] [ 0.789612 0.440634 0.668926 ] [ 0.789612 0.059366 0.668926 ] [ 0.525876 0.75 0.840443 ] [ 0.946493 0.75 0.855052 ] [ 0.283828 0.25 0.934911 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "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" 5.17914771 "source-unit" "angstrom" } "b" { "source-value" 6.44064576 "source-unit" "angstrom" } "c" { "source-value" 9.02138615 "source-unit" "angstrom" } "beta" { "source-value" 90.1227522 "source-unit" "degree" } }