{ "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" [ [ 0.333333 0.666667 0.446022 ] [ 0.666667 0.333333 0.553978 ] [ 0 0 0.654462 ] [ 0 0 0.154462 ] [ 0 0 0.845538 ] [ 0.666667 0.333333 0.946022 ] [ 0 0 0.345538 ] [ 0.333333 0.666667 0.053978 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.105666 ] [ 0.333333 0.666667 0.605666 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.394334 ] [ 0.333333 0.666667 0.894334 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Al" "Al" "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" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 2.99490251502 "source-unit" "angstrom" } "c" { "source-value" 23.49606915 "source-unit" "angstrom" } }