{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.599524 ] [ 0.666667 0.333333 0.400476 ] [ 0 0 0.18842 ] [ 0 0 0.81158 ] [ 0.666667 0.333333 0.026949 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.71662 ] [ 0.333333 0.666667 0.973051 ] [ 0.333333 0.666667 0.28338 ] [ 0.570646 0.586439 0.120198 ] [ 0.413561 0.984208 0.120198 ] [ 0.015792 0.429354 0.120198 ] [ 0.232393 0.33266 0.377738 ] [ 0.100267 0.767607 0.377738 ] [ 0.984208 0.570646 0.879802 ] [ 0.33266 0.100267 0.622262 ] [ 0.899733 0.232393 0.622262 ] [ 0.429354 0.413561 0.879802 ] [ 0.66734 0.899733 0.377738 ] [ 0.586439 0.015792 0.879802 ] [ 0.767607 0.66734 0.622262 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ti" "Ti" "Ti" "Ti" "Ti" "O" "O" "O" "O" "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" 5.37216532516 "source-unit" "angstrom" } "c" { "source-value" 9.65334985 "source-unit" "angstrom" } }