{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.749089 0.458011 0.747598 ] [ 0.250911 0.958011 0.752402 ] [ 0.5 0.5 0 ] [ 0.749089 0.041989 0.247598 ] [ 0.250911 0.541989 0.252402 ] [ 0.357068 0.915823 0.235265 ] [ 0.084213 0.700808 0.922955 ] [ 0.754206 0.673101 0.559392 ] [ 0.245794 0.173101 0.940608 ] [ 0.915787 0.200808 0.577045 ] [ 0.642932 0.415823 0.264735 ] [ 0.357068 0.584177 0.735265 ] [ 0.084213 0.799192 0.422955 ] [ 0.754206 0.826899 0.059392 ] [ 0.245794 0.326899 0.440608 ] [ 0.915787 0.299192 0.077045 ] [ 0.642932 0.084177 0.764735 ] ] } "species" { "source-value" [ "U" "U" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "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" 5.70779457 "source-unit" "angstrom" } "b" { "source-value" 5.8304179 "source-unit" "angstrom" } "c" { "source-value" 10.13443055 "source-unit" "angstrom" } "beta" { "source-value" 123.35661829 "source-unit" "degree" } }