{ "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" [ [ 0.414052 0.207026 0.459465 ] [ 0.792974 0.585948 0.040535 ] [ 0.207026 0.414052 0.540535 ] [ 0.585948 0.792974 0.959465 ] [ 0.207026 0.414052 0.959465 ] [ 0.207026 0.792974 0.959465 ] [ 0.792974 0.585948 0.459465 ] [ 0.207026 0.792974 0.540535 ] [ 0.792974 0.207026 0.040535 ] [ 0.585948 0.792974 0.540535 ] [ 0.414052 0.207026 0.040535 ] [ 0.792974 0.207026 0.459465 ] [ 0.230443 0.115222 0.75 ] [ 0.884778 0.769557 0.75 ] [ 0.115222 0.884778 0.25 ] [ 0.769557 0.884778 0.25 ] [ 0.884778 0.115222 0.75 ] [ 0.115222 0.230443 0.25 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.481548 0.963097 0.25 ] [ 0.518452 0.481548 0.75 ] [ 0.963097 0.481548 0.75 ] [ 0.036903 0.518452 0.25 ] [ 0.481548 0.518452 0.25 ] [ 0.518452 0.036903 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Na" "Na" "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" 10.2922361404 "source-unit" "angstrom" } "c" { "source-value" 10.60133523 "source-unit" "angstrom" } }