{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.925192 0.462596 0.864929 ] [ 0.462596 0.925192 0.364929 ] [ 0.142023 0.284046 0.03249 ] [ 0.284046 0.142023 0.53249 ] [ 0.857977 0.142023 0.53249 ] [ 0.142023 0.857977 0.03249 ] [ 0.715954 0.857977 0.03249 ] [ 0.857977 0.715954 0.53249 ] [ 0.537404 0.074808 0.864929 ] [ 0.074808 0.537404 0.364929 ] [ 0.462596 0.537404 0.364929 ] [ 0.537404 0.462596 0.864929 ] [ 0.666667 0.333333 0.25737 ] [ 0.333333 0.666667 0.75737 ] [ 0.188583 0.377166 0.643132 ] [ 0.377166 0.188583 0.143132 ] [ 0.333333 0.666667 0.094976 ] [ 0.666667 0.333333 0.594976 ] [ 0.811417 0.622834 0.143132 ] [ 0.622834 0.811417 0.643132 ] [ 0.188583 0.811417 0.643132 ] [ 0.811417 0.188583 0.143132 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Zn" "Zn" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.66350327 "source-unit" "angstrom" } "c" { "source-value" 5.91624685 "source-unit" "angstrom" } }