{ "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" [ [ 0.540646 0.459354 0.75 ] [ 0.540646 0.081292 0.75 ] [ 0.459354 0.540646 0.25 ] [ 0.081292 0.540646 0.25 ] [ 0.666667 0.333333 0.25 ] [ 0.918708 0.459354 0.75 ] [ 0.333333 0.666667 0.75 ] [ 0.459354 0.918708 0.25 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.831178 0.168822 0.461209 ] [ 0.831178 0.168822 0.038791 ] [ 0.831178 0.662356 0.461209 ] [ 0.662356 0.831178 0.961209 ] [ 0.168822 0.831178 0.538791 ] [ 0.168822 0.337644 0.538791 ] [ 0.168822 0.337644 0.961209 ] [ 0.831178 0.662356 0.038791 ] [ 0.168822 0.831178 0.961209 ] [ 0.337644 0.168822 0.038791 ] [ 0.662356 0.831178 0.538791 ] [ 0.337644 0.168822 0.461209 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "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" 10.1450155797 "source-unit" "angstrom" } "c" { "source-value" 7.23202384 "source-unit" "angstrom" } }