{ "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 0.994618 ] [ 0.666667 0.333333 0.327951 ] [ 0.333333 0.666667 0.661284 ] [ 0 0 0.435893 ] [ 0.666667 0.333333 0.769227 ] [ 0.333333 0.666667 0.10256 ] [ 0.798921 0.201079 0.76783 ] [ 0.798921 0.597841 0.76783 ] [ 0.402159 0.201079 0.76783 ] [ 0.465587 0.534413 0.101163 ] [ 0.465587 0.931174 0.101163 ] [ 0.068826 0.534413 0.101163 ] [ 0.132254 0.867746 0.434496 ] [ 0.132254 0.264508 0.434496 ] [ 0.735492 0.867746 0.434496 ] ] } "species" { "source-value" [ "K" "K" "K" "N" "N" "N" "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" 5.54206055 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }