{ "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 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.098201 ] [ 0.666667 0.333333 0.598201 ] [ 0.666667 0.333333 0.901799 ] [ 0.333333 0.666667 0.401799 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.847622 ] [ 0.666667 0.333333 0.347622 ] [ 0.666667 0.333333 0.152378 ] [ 0.333333 0.666667 0.652378 ] [ 0.520939 0.041879 0.25 ] [ 0.479061 0.520939 0.75 ] [ 0.041879 0.520939 0.75 ] [ 0.958121 0.479061 0.25 ] [ 0.520939 0.479061 0.25 ] [ 0.479061 0.958121 0.75 ] [ 0.834023 0.668046 0.079864 ] [ 0.165977 0.834023 0.579864 ] [ 0.668046 0.834023 0.579864 ] [ 0.331954 0.165977 0.079864 ] [ 0.834023 0.165977 0.079864 ] [ 0.165977 0.331954 0.920136 ] [ 0.165977 0.834023 0.920136 ] [ 0.165977 0.331954 0.579864 ] [ 0.668046 0.834023 0.920136 ] [ 0.331954 0.165977 0.420136 ] [ 0.834023 0.668046 0.420136 ] [ 0.834023 0.165977 0.420136 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "F" "F" "F" "F" "F" "F" "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" 5.92941270411 "source-unit" "angstrom" } "c" { "source-value" 14.43823466 "source-unit" "angstrom" } }