{ "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" [ [ 0.235003 0.491688 0.217085 ] [ 0.235003 0.008312 0.217085 ] [ 0.764997 0.508312 0.782915 ] [ 0.764997 0.991688 0.782915 ] [ 0.800935 0.75 0.361185 ] [ 0.199065 0.25 0.638815 ] [ 0.729045 0.25 0.395781 ] [ 0.270955 0.75 0.604219 ] [ 0.718749 0.75 0.076517 ] [ 0.281251 0.25 0.923483 ] [ 0.275753 0.25 0.053976 ] [ 0.931984 0.75 0.160127 ] [ 0.524384 0.75 0.146809 ] [ 0.863156 0.056144 0.322914 ] [ 0.863156 0.443856 0.322914 ] [ 0.186621 0.75 0.420239 ] [ 0.422737 0.25 0.368214 ] [ 0.577263 0.75 0.631786 ] [ 0.813379 0.25 0.579761 ] [ 0.136844 0.556144 0.677086 ] [ 0.136844 0.943856 0.677086 ] [ 0.475616 0.25 0.853191 ] [ 0.068016 0.25 0.839873 ] [ 0.724247 0.75 0.946024 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sb" "Sb" "As" "As" "C" "C" "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" 5.50863355 "source-unit" "angstrom" } "b" { "source-value" 7.06393326 "source-unit" "angstrom" } "c" { "source-value" 9.51635582 "source-unit" "angstrom" } "beta" { "source-value" 94.63273794 "source-unit" "degree" } }