{ "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" [ [ 0.856145 0.712289 0.25 ] [ 0.712289 0.856145 0.75 ] [ 0.856145 0.143855 0.25 ] [ 0.143855 0.856145 0.75 ] [ 0.143855 0.287711 0.75 ] [ 0.287711 0.143855 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Na" "Na" "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" 8.52041938 "source-unit" "angstrom" } "c" { "source-value" 7.00402578 "source-unit" "angstrom" } }