{ "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" [ [ 0.20941 0.418819 0.541644 ] [ 0.79059 0.20941 0.041644 ] [ 0.418819 0.20941 0.041644 ] [ 0.581181 0.79059 0.541644 ] [ 0.20941 0.79059 0.541644 ] [ 0.79059 0.581181 0.458356 ] [ 0.79059 0.20941 0.458356 ] [ 0.79059 0.581181 0.041644 ] [ 0.418819 0.20941 0.458356 ] [ 0.581181 0.79059 0.958356 ] [ 0.20941 0.418819 0.958356 ] [ 0.20941 0.79059 0.958356 ] [ 0.11903 0.238059 0.25 ] [ 0.88097 0.11903 0.75 ] [ 0.238059 0.11903 0.75 ] [ 0.761941 0.88097 0.25 ] [ 0.11903 0.88097 0.25 ] [ 0.88097 0.761941 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.472624 0.527376 0.25 ] [ 0.945247 0.472624 0.75 ] [ 0.527376 0.054753 0.75 ] [ 0.472624 0.945247 0.25 ] [ 0.054753 0.527376 0.25 ] [ 0.527376 0.472624 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "K" "K" "K" "K" "K" "K" "Ga" "Ga" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "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" 11.168259565 "source-unit" "angstrom" } "c" { "source-value" 11.70399394 "source-unit" "angstrom" } }