{ "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 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.780901 ] [ 0.666667 0.333333 0.114234 ] [ 0.333333 0.666667 0.447568 ] [ 0 0 0.219099 ] [ 0.666667 0.333333 0.552432 ] [ 0.333333 0.666667 0.885766 ] [ 0.666667 0.833333 0.333333 ] [ 0.333333 0.166667 0.666667 ] [ 1 0.5 1 ] [ 0.166667 0.333333 0.333333 ] [ 0.833333 0.666667 0.666667 ] [ 0.5 0 1 ] [ 0.166667 0.833333 0.333333 ] [ 0.833333 0.166667 0.666667 ] [ 0.5 0.5 1 ] [ 0.154629 0.845371 0.555948 ] [ 0.821296 0.178704 0.889281 ] [ 0.487962 0.512038 0.222615 ] [ 0.690742 0.845371 0.555948 ] [ 0.357409 0.178704 0.889281 ] [ 0.024075 0.512038 0.222615 ] [ 0.154629 0.309258 0.555948 ] [ 0.821296 0.642591 0.889281 ] [ 0.487962 0.975925 0.222615 ] [ 0.845371 0.690742 0.444052 ] [ 0.512038 0.024075 0.777385 ] [ 0.178704 0.357409 0.110719 ] [ 0.845371 0.154629 0.444052 ] [ 0.512038 0.487962 0.777385 ] [ 0.178704 0.821296 0.110719 ] [ 0.309258 0.154629 0.444052 ] [ 0.975925 0.487962 0.777385 ] [ 0.642591 0.821296 0.110719 ] ] } "species" { "source-value" [ "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.11995218809 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }