{ "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" [ [ 0.768633 0.003919 0.219557 ] [ 0.768633 0.496081 0.219557 ] [ 0.231367 0.503919 0.780443 ] [ 0.231367 0.996081 0.780443 ] [ 0.228925 0.25 0.355034 ] [ 0.771075 0.75 0.644966 ] [ 0.275189 0.25 0.074584 ] [ 0.724811 0.75 0.925416 ] [ 0.284943 0.75 0.419286 ] [ 0.715057 0.25 0.580714 ] [ 0.71745 0.75 0.066454 ] [ 0.058265 0.25 0.148252 ] [ 0.478509 0.25 0.162326 ] [ 0.205251 0.92062 0.337086 ] [ 0.205251 0.57938 0.337086 ] [ 0.82745 0.25 0.426377 ] [ 0.572436 0.75 0.438084 ] [ 0.427564 0.25 0.561916 ] [ 0.17255 0.75 0.573623 ] [ 0.794749 0.42062 0.662914 ] [ 0.794749 0.07938 0.662914 ] [ 0.521491 0.75 0.837674 ] [ 0.941735 0.75 0.851748 ] [ 0.28255 0.25 0.933546 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cr" "Cr" "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" 5.24783071 "source-unit" "angstrom" } "b" { "source-value" 7.12102637 "source-unit" "angstrom" } "c" { "source-value" 8.93883377 "source-unit" "angstrom" } "beta" { "source-value" 90.70861642 "source-unit" "degree" } }