{ "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 0.004625 ] [ 0.666667 0.333333 0.337958 ] [ 0.333333 0.666667 0.671291 ] [ 0 0 0.504473 ] [ 0.666667 0.333333 0.837807 ] [ 0.333333 0.666667 0.17114 ] [ 0.146998 0.293997 0.425301 ] [ 0.813665 0.62733 0.758634 ] [ 0.480332 0.960663 0.091967 ] [ 0.146998 0.853002 0.425301 ] [ 0.813665 0.186335 0.758634 ] [ 0.480332 0.519668 0.091967 ] [ 0.706003 0.853002 0.425301 ] [ 0.37267 0.186335 0.758634 ] [ 0.039337 0.519668 0.091967 ] ] } "species" { "source-value" [ "K" "K" "K" "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" 6.06722555397 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }