{ "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 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.562094 0.781047 0.508972 ] [ 0.22876 0.11438 0.842306 ] [ 0.895427 0.447713 0.175639 ] [ 0.218953 0.437906 0.508972 ] [ 0.88562 0.77124 0.842306 ] [ 0.552287 0.104573 0.175639 ] [ 0.781047 0.218953 0.491028 ] [ 0.447713 0.552287 0.824361 ] [ 0.11438 0.88562 0.157694 ] [ 0.781047 0.562094 0.491028 ] [ 0.447713 0.895427 0.824361 ] [ 0.11438 0.22876 0.157694 ] [ 0.437906 0.218953 0.491028 ] [ 0.104573 0.552287 0.824361 ] [ 0.77124 0.88562 0.157694 ] [ 0.218953 0.781047 0.508972 ] [ 0.88562 0.11438 0.842306 ] [ 0.552287 0.447713 0.175639 ] ] } "species" { "source-value" [ "K" "K" "K" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.84312032331 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }