{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnab" } "basis-atom-coordinates" { "source-value" [ [ 0.102939 0.391485 0.655795 ] [ 0.397061 0.608515 0.155795 ] [ 0.897061 0.891485 0.655795 ] [ 0.602939 0.108515 0.155795 ] [ 0.897061 0.608515 0.344205 ] [ 0.602939 0.391485 0.844205 ] [ 0.397061 0.891485 0.844205 ] [ 0.102939 0.108515 0.344205 ] [ 0.462096 0.75 0.5 ] [ 0.537904 0.25 0.5 ] [ 0.962096 0.75 0 ] [ 0.037904 0.25 0 ] [ 0.200947 0.519682 0.900922 ] [ 0.799053 0.019682 0.900922 ] [ 0.700947 0.519682 0.599078 ] [ 0.299053 0.480318 0.400922 ] [ 0.799053 0.480318 0.099078 ] [ 0.200947 0.980318 0.099078 ] [ 0.299053 0.019682 0.599078 ] [ 0.700947 0.980318 0.400922 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Cd" "Cd" "Cd" "Cd" "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" 6.28542476 "source-unit" "angstrom" } "b" { "source-value" 6.3025873 "source-unit" "angstrom" } "c" { "source-value" 10.14686647 "source-unit" "angstrom" } }