{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.998303 ] [ 0.666667 0.333333 0.331636 ] [ 0.333333 0.666667 0.664969 ] [ 0 0 0.466658 ] [ 0.666667 0.333333 0.799991 ] [ 0.333333 0.666667 0.133325 ] [ 0.730604 0.865302 0.388036 ] [ 0.397271 0.198635 0.72137 ] [ 0.063937 0.531969 0.054703 ] [ 0.134698 0.269396 0.388036 ] [ 0.801365 0.602729 0.72137 ] [ 0.468031 0.936063 0.054703 ] [ 0.134698 0.865302 0.388036 ] [ 0.801365 0.198635 0.72137 ] [ 0.468031 0.531969 0.054703 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Br" "Br" "Br" "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" 6.63215205343 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }