{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.12049 0.5 0.818557 ] [ 0.87951 0.5 0.181443 ] [ 0.62049 0 0.818557 ] [ 0.37951 0 0.181443 ] ] } "species" { "source-value" [ "Cd" "Cd" "Hg" "Hg" "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" 6.1941333 "source-unit" "angstrom" } "b" { "source-value" 3.56808696 "source-unit" "angstrom" } "c" { "source-value" 6.46140361 "source-unit" "angstrom" } "beta" { "source-value" 103.88364266 "source-unit" "degree" } }