{ "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" [ [ 0.240699 0.75 0.08115 ] [ 0.75389 0.998934 0.258874 ] [ 0.75389 0.501066 0.258874 ] [ 0.24611 0.498934 0.741126 ] [ 0.24611 0.001066 0.741126 ] [ 0.759301 0.25 0.91885 ] [ 0.22561 0.25 0.342305 ] [ 0.77439 0.75 0.657695 ] [ 0.263851 0.25 0.064875 ] [ 0.736149 0.75 0.935125 ] [ 0.296805 0.75 0.422027 ] [ 0.703195 0.25 0.577973 ] [ 0.714288 0.75 0.084089 ] [ 0.032173 0.25 0.137296 ] [ 0.472525 0.25 0.162855 ] [ 0.22064 0.937322 0.320707 ] [ 0.22064 0.562678 0.320707 ] [ 0.592817 0.75 0.451947 ] [ 0.845665 0.25 0.430708 ] [ 0.154335 0.75 0.569292 ] [ 0.407183 0.25 0.548053 ] [ 0.77936 0.437322 0.679293 ] [ 0.77936 0.062678 0.679293 ] [ 0.527475 0.75 0.837145 ] [ 0.967827 0.75 0.862704 ] [ 0.285712 0.25 0.915911 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "B" "B" "P" "P" "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" 5.22212173 "source-unit" "angstrom" } "b" { "source-value" 6.48497215 "source-unit" "angstrom" } "c" { "source-value" 9.00769509 "source-unit" "angstrom" } "beta" { "source-value" 91.14442567 "source-unit" "degree" } }