{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.071532 ] [ 0.333333 0.666667 0.928468 ] [ 0.333333 0.666667 0.404866 ] [ 0 0 0.261801 ] [ 0 0 0.738199 ] [ 0.666667 0.333333 0.595134 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "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" 4.32497513 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }