{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.902931 ] [ 0 0 0.79662 ] [ 0 0 0.20338 ] [ 0.5 0.5 0.097069 ] [ 0 0 0.402931 ] [ 0.5 0.5 0.29662 ] [ 0.5 0.5 0.70338 ] [ 0 0 0.597069 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.946825 ] [ 0.5 0 0.95124 ] [ 0.5 0 0.84843 ] [ 0 0.5 0.758222 ] [ 0 0.5 0.241778 ] [ 0.5 0 0.15157 ] [ 0.5 0 0.04876 ] [ 0 0.5 0.053175 ] [ 0.5 0 0.446825 ] [ 0 0.5 0.45124 ] [ 0 0.5 0.34843 ] [ 0.5 0 0.258222 ] [ 0.5 0 0.741778 ] [ 0 0.5 0.65157 ] [ 0 0.5 0.54876 ] [ 0.5 0 0.553175 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Th" "Th" "O" "O" "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" 3.92242648 "source-unit" "angstrom" } "b" { "source-value" 3.96266987 "source-unit" "angstrom" } "c" { "source-value" 27.80083066 "source-unit" "angstrom" } }