{ "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" [ [ 0.333333 0.666667 0.438628 ] [ 0.666667 0.333333 0.938628 ] [ 0.666667 0.333333 0.561372 ] [ 0.333333 0.666667 0.061372 ] [ 0.169083 0.338167 0.75 ] [ 0.830917 0.169083 0.25 ] [ 0.338167 0.169083 0.25 ] [ 0.661833 0.830917 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.830917 0.661833 0.25 ] [ 0.169083 0.830917 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "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" 7.31183939119 "source-unit" "angstrom" } "c" { "source-value" 11.85739474 "source-unit" "angstrom" } }