{ "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" [ [ 0.768078 0.004368 0.221663 ] [ 0.768078 0.495632 0.221663 ] [ 0.231922 0.504368 0.778337 ] [ 0.231922 0.995632 0.778337 ] [ 0.226148 0.25 0.350852 ] [ 0.773852 0.75 0.649148 ] [ 0.272229 0.25 0.07691 ] [ 0.727771 0.75 0.92309 ] [ 0.285781 0.75 0.421851 ] [ 0.714219 0.25 0.578149 ] [ 0.7039 0.75 0.063216 ] [ 0.050352 0.25 0.142776 ] [ 0.468383 0.25 0.172083 ] [ 0.207137 0.929743 0.334855 ] [ 0.207137 0.570257 0.334855 ] [ 0.836985 0.25 0.42814 ] [ 0.572313 0.75 0.445168 ] [ 0.427687 0.25 0.554832 ] [ 0.163015 0.75 0.57186 ] [ 0.792863 0.429743 0.665145 ] [ 0.792863 0.070257 0.665145 ] [ 0.531617 0.75 0.827917 ] [ 0.949648 0.75 0.857224 ] [ 0.2961 0.25 0.936784 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ni" "Ni" "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" 5.23095664 "source-unit" "angstrom" } "b" { "source-value" 6.66859088 "source-unit" "angstrom" } "c" { "source-value" 8.92099107 "source-unit" "angstrom" } "beta" { "source-value" 91.17310221 "source-unit" "degree" } }