{ "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 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.1901 0 0.247415 ] [ 0.8099 0 0.752585 ] [ 0.6901 0.5 0.247415 ] [ 0.3099 0.5 0.752585 ] [ 0.086092 0.5 0.825863 ] [ 0.913908 0.5 0.174137 ] [ 0.803933 0.5 0.593657 ] [ 0.932763 0 0.620892 ] [ 0.067237 0 0.379108 ] [ 0.196067 0.5 0.406343 ] [ 0.586092 0 0.825863 ] [ 0.413908 0 0.174137 ] [ 0.303933 0 0.593657 ] [ 0.432763 0.5 0.620892 ] [ 0.567237 0.5 0.379108 ] [ 0.696067 0 0.406343 ] ] } "species" { "source-value" [ "U" "U" "Sb" "Sb" "Sb" "Sb" "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" 13.7338304479 "source-unit" "angstrom" } "b" { "source-value" 4.01270689804 "source-unit" "angstrom" } "c" { "source-value" 5.37239514037 "source-unit" "angstrom" } "beta" { "source-value" 104.893936979 "source-unit" "degree" } }