{ "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" [ [ 0.242751 0.75 0.078646 ] [ 0.753112 0.00836 0.257608 ] [ 0.753112 0.49164 0.257608 ] [ 0.246888 0.50836 0.742392 ] [ 0.246888 0.99164 0.742392 ] [ 0.757249 0.25 0.921354 ] [ 0.236404 0.25 0.364177 ] [ 0.763596 0.75 0.635823 ] [ 0.264 0.25 0.059107 ] [ 0.736 0.75 0.940893 ] [ 0.298035 0.75 0.408902 ] [ 0.701965 0.25 0.591098 ] [ 0.716737 0.75 0.085774 ] [ 0.036704 0.25 0.12159 ] [ 0.472415 0.25 0.140783 ] [ 0.21544 0.922874 0.322052 ] [ 0.21544 0.577126 0.322052 ] [ 0.590509 0.75 0.423578 ] [ 0.816463 0.25 0.43923 ] [ 0.183537 0.75 0.56077 ] [ 0.409491 0.25 0.576422 ] [ 0.78456 0.422874 0.677948 ] [ 0.78456 0.077126 0.677948 ] [ 0.527585 0.75 0.859217 ] [ 0.963296 0.75 0.87841 ] [ 0.283263 0.25 0.914226 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "C" "C" "S" "S" "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" 5.14909199 "source-unit" "angstrom" } "b" { "source-value" 6.96921524 "source-unit" "angstrom" } "c" { "source-value" 8.99811969 "source-unit" "angstrom" } "beta" { "source-value" 90.11838227 "source-unit" "degree" } }