{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.006774 0 0.504683 ] [ 0.506774 0.5 0.504683 ] [ 0.761172 0 0.001217 ] [ 0.245015 0 0.008696 ] [ 0.002567 0.5 0.991143 ] [ 0.261172 0.5 0.001217 ] [ 0.745015 0.5 0.008696 ] [ 0.502567 0 0.991143 ] [ 0.872605 0.742633 0.008347 ] [ 0.872605 0.257367 0.008347 ] [ 0.133479 0.741843 0.997405 ] [ 0.133479 0.258157 0.997405 ] [ 0.372605 0.242633 0.008347 ] [ 0.372605 0.757367 0.008347 ] [ 0.633479 0.241843 0.997405 ] [ 0.633479 0.758157 0.997405 ] ] } "species" { "source-value" [ "Na" "Na" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 10.83589188 "source-unit" "angstrom" } "b" { "source-value" 5.45593025 "source-unit" "angstrom" } "c" { "source-value" 3.51214683 "source-unit" "angstrom" } "beta" { "source-value" 90.06881891 "source-unit" "degree" } }