{ "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" [ [ 0.174863 0.768756 0.25 ] [ 0.768756 0.593893 0.75 ] [ 0.406107 0.174863 0.75 ] [ 0.593893 0.825137 0.25 ] [ 0.231244 0.406107 0.25 ] [ 0.825137 0.231244 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.329943 0.030679 0.25 ] [ 0.030679 0.700735 0.75 ] [ 0.299265 0.329943 0.75 ] [ 0.700735 0.670057 0.25 ] [ 0.670057 0.969321 0.75 ] [ 0.969321 0.299265 0.25 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "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" 7.66030722 "source-unit" "angstrom" } "c" { "source-value" 2.92508486 "source-unit" "angstrom" } }