{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.17834 0.773245 0.25 ] [ 0.226755 0.405095 0.25 ] [ 0.594905 0.82166 0.25 ] [ 0.82166 0.226755 0.75 ] [ 0.773245 0.594905 0.75 ] [ 0.405095 0.17834 0.75 ] [ 0.329887 0.033307 0.25 ] [ 0.966693 0.29658 0.25 ] [ 0.70342 0.670113 0.25 ] [ 0.670113 0.966693 0.75 ] [ 0.033307 0.70342 0.75 ] [ 0.29658 0.329887 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.45052656054 "source-unit" "angstrom" } "c" { "source-value" 2.4231399 "source-unit" "angstrom" } }