{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.89915 ] [ 0 0 0.993378 ] [ 0 0 0.493378 ] [ 0.666667 0.333333 0.39915 ] [ 0.333333 0.666667 0.493148 ] [ 0.666667 0.333333 0.993148 ] [ 0.170155 0.340311 0.21532 ] [ 0.659689 0.829845 0.21532 ] [ 0.170155 0.829845 0.21532 ] [ 0.829845 0.170155 0.71532 ] [ 0.340311 0.170155 0.71532 ] [ 0.829845 0.659689 0.71532 ] [ 0.167158 0.334316 0.59419 ] [ 0.480128 0.519872 0.341103 ] [ 0.333333 0.666667 0.108544 ] [ 0 0 0.307887 ] [ 0 0 0.807887 ] [ 0.665684 0.832842 0.59419 ] [ 0.039743 0.519872 0.341103 ] [ 0.480128 0.960257 0.341103 ] [ 0.832842 0.167158 0.09419 ] [ 0.167158 0.832842 0.59419 ] [ 0.519872 0.039743 0.841103 ] [ 0.960257 0.480128 0.841103 ] [ 0.666667 0.333333 0.608544 ] [ 0.334316 0.167158 0.09419 ] [ 0.519872 0.480128 0.841103 ] [ 0.832842 0.665684 0.09419 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nb" "Nb" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "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" 5.98174728 "source-unit" "angstrom" } "c" { "source-value" 9.62227295 "source-unit" "angstrom" } }