{ "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" [ [ 0.769335 0.494223 0.220588 ] [ 0.769335 0.005777 0.220588 ] [ 0.230665 0.505777 0.779412 ] [ 0.230665 0.994223 0.779412 ] [ 0.234288 0.25 0.35094 ] [ 0.765712 0.75 0.64906 ] [ 0.27212 0.25 0.075842 ] [ 0.72788 0.75 0.924158 ] [ 0.289414 0.75 0.422048 ] [ 0.710586 0.25 0.577952 ] [ 0.71293 0.75 0.063771 ] [ 0.056022 0.25 0.145761 ] [ 0.470181 0.25 0.166898 ] [ 0.211497 0.929112 0.336258 ] [ 0.211497 0.570888 0.336258 ] [ 0.82951 0.25 0.428398 ] [ 0.57323 0.75 0.442349 ] [ 0.42677 0.25 0.557651 ] [ 0.17049 0.75 0.571602 ] [ 0.788503 0.429112 0.663742 ] [ 0.788503 0.070888 0.663742 ] [ 0.529819 0.75 0.833102 ] [ 0.943978 0.75 0.854239 ] [ 0.28707 0.25 0.936229 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Co" "Co" "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" 5.30252308 "source-unit" "angstrom" } "b" { "source-value" 6.72854293 "source-unit" "angstrom" } "c" { "source-value" 8.98631775 "source-unit" "angstrom" } "beta" { "source-value" 91.10603842 "source-unit" "degree" } }