{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.912025 ] [ 0.333333 0.666667 0.412025 ] [ 0.333333 0.666667 0.087975 ] [ 0.666667 0.333333 0.587975 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.538522 0.461478 0.25 ] [ 0.538522 0.077044 0.25 ] [ 0.461478 0.922956 0.75 ] [ 0.077044 0.538522 0.75 ] [ 0.922956 0.461478 0.25 ] [ 0.461478 0.538522 0.75 ] [ 0.716714 0.858357 0.933387 ] [ 0.283286 0.141643 0.433387 ] [ 0.141643 0.283286 0.566613 ] [ 0.141643 0.858357 0.933387 ] [ 0.858357 0.141643 0.433387 ] [ 0.858357 0.716714 0.433387 ] [ 0.141643 0.283286 0.933387 ] [ 0.858357 0.141643 0.066613 ] [ 0.141643 0.858357 0.566613 ] [ 0.858357 0.716714 0.066613 ] [ 0.283286 0.141643 0.066613 ] [ 0.716714 0.858357 0.566613 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Si" "Si" "N" "N" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.72195456 "source-unit" "angstrom" } "c" { "source-value" 14.89028558 "source-unit" "angstrom" } }