{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.506625 0.529942 0.25 ] [ 0.006625 0.970058 0.75 ] [ 0.993375 0.029942 0.25 ] [ 0.493375 0.470058 0.75 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.700869 0.296723 0.450842 ] [ 0.200869 0.203277 0.549158 ] [ 0.799131 0.796723 0.049158 ] [ 0.299131 0.703277 0.950842 ] [ 0.299131 0.703277 0.549158 ] [ 0.799131 0.796723 0.450842 ] [ 0.200869 0.203277 0.950842 ] [ 0.700869 0.296723 0.049158 ] [ 0.094278 0.469552 0.25 ] [ 0.594278 0.030448 0.75 ] [ 0.405722 0.969552 0.25 ] [ 0.905722 0.530448 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "U" "U" "U" "U" "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" 5.82449449 "source-unit" "angstrom" } "b" { "source-value" 5.96318006 "source-unit" "angstrom" } "c" { "source-value" 8.34654553 "source-unit" "angstrom" } }