{ "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" [ [ 0.666667 0.333333 0.475742 ] [ 0.333333 0.666667 0.975742 ] [ 0.364645 0.182322 0.999606 ] [ 0.182322 0.364645 0.499606 ] [ 0.182322 0.817678 0.499606 ] [ 0.817678 0.182322 0.999606 ] [ 0.817678 0.635355 0.999606 ] [ 0.635355 0.817678 0.499606 ] [ 0.666667 0.333333 0.126639 ] [ 0.333333 0.666667 0.626639 ] [ 0.255987 0.127994 0.396867 ] [ 0.127994 0.255987 0.896867 ] [ 0.127994 0.872006 0.896867 ] [ 0.872006 0.127994 0.396867 ] [ 0.872006 0.744013 0.396867 ] [ 0.744013 0.872006 0.896867 ] [ 0.5398 0.079599 0.726367 ] [ 0.4602 0.5398 0.226367 ] [ 0.079599 0.5398 0.226367 ] [ 0.920401 0.4602 0.726367 ] [ 0.5398 0.4602 0.726367 ] [ 0.4602 0.920401 0.226367 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.93279270066 "source-unit" "angstrom" } "c" { "source-value" 6.15586845 "source-unit" "angstrom" } }