{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0 0.342942 0.666667 ] [ 0.342942 0 0.333333 ] [ 0.657058 0.657058 0 ] [ 0.052376 0.434678 0.215822 ] [ 0.947624 0.382302 0.117511 ] [ 0.565322 0.617698 0.549155 ] [ 0.434678 0.052376 0.784178 ] [ 0.617698 0.565322 0.450845 ] [ 0.382302 0.947624 0.882489 ] [ 0.430556 0.531438 0.596666 ] [ 0.247862 0 0.833333 ] [ 0.531438 0.430556 0.403334 ] [ 0 0.247862 0.166667 ] [ 0.752138 0.752138 0.5 ] [ 0.899118 0.468562 0.07 ] [ 0.100882 0.569444 0.263333 ] [ 0.468562 0.899118 0.93 ] [ 0.569444 0.100882 0.736667 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "C" "C" "C" "C" "C" "C" "N" "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" 3.67362125675 "source-unit" "angstrom" } "c" { "source-value" 23.10325207 "source-unit" "angstrom" } }