{ "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" [ [ 0.661539 0 0.72847 ] [ 0.338461 0 0.27153 ] [ 0.209516 0 0.745448 ] [ 0.790484 0 0.254552 ] [ 0.161539 0.5 0.72847 ] [ 0.838461 0.5 0.27153 ] [ 0.709516 0.5 0.745448 ] [ 0.290484 0.5 0.254552 ] [ 0 0.214063 0 ] [ 0 0.785937 0 ] [ 0.5 0.714063 0 ] [ 0.5 0.285937 0 ] [ 0.101526 0.214593 0.405801 ] [ 0.898474 0.214593 0.594199 ] [ 0.898474 0.785407 0.594199 ] [ 0.101526 0.785407 0.405801 ] [ 0.601526 0.714593 0.405801 ] [ 0.398474 0.714593 0.594199 ] [ 0.398474 0.285407 0.594199 ] [ 0.601526 0.285407 0.405801 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Cd" "Cd" "Cd" "Cd" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.53009319 "source-unit" "angstrom" } "b" { "source-value" 7.44299997 "source-unit" "angstrom" } "c" { "source-value" 7.68354821 "source-unit" "angstrom" } "beta" { "source-value" 106.30016442 "source-unit" "degree" } }