{ "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" [ [ 0.6757 0.83785 0.412885 ] [ 0.342367 0.171183 0.746219 ] [ 0.009033 0.504517 0.079552 ] [ 0.16215 0.3243 0.412885 ] [ 0.828817 0.657633 0.746219 ] [ 0.495483 0.990967 0.079552 ] [ 0.16215 0.83785 0.412885 ] [ 0.828817 0.171183 0.746219 ] [ 0.495483 0.504517 0.079552 ] [ 0 0 0.177987 ] [ 0.666667 0.333333 0.511321 ] [ 0.333333 0.666667 0.844654 ] [ 0 0 0.953855 ] [ 0.666667 0.333333 0.287188 ] [ 0.333333 0.666667 0.620522 ] [ 0.452931 0.226466 0.325196 ] [ 0.119598 0.559799 0.65853 ] [ 0.786265 0.893132 0.991863 ] [ 0 0 0.845564 ] [ 0.666667 0.333333 0.178897 ] [ 0.333333 0.666667 0.512231 ] [ 0.773534 0.547069 0.325196 ] [ 0.440201 0.880402 0.65853 ] [ 0.106868 0.213735 0.991863 ] [ 0.773534 0.226466 0.325196 ] [ 0.440201 0.559799 0.65853 ] [ 0.106868 0.893132 0.991863 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "C" "C" "C" "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" 7.38255917219 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }