{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P622" } "basis-atom-coordinates" { "source-value" [ [ 0.480331 0.131054 0.156353 ] [ 0.868946 0.519669 0.843647 ] [ 0.131054 0.650723 0.156353 ] [ 0.868946 0.349277 0.156353 ] [ 0.349277 0.868946 0.843647 ] [ 0.480331 0.349277 0.843647 ] [ 0.131054 0.480331 0.843647 ] [ 0.650723 0.131054 0.843647 ] [ 0.519669 0.868946 0.156353 ] [ 0.349277 0.480331 0.156353 ] [ 0.650723 0.519669 0.156353 ] [ 0.519669 0.650723 0.843647 ] [ 0.215849 0.607925 0 ] [ 0 0.385444 0 ] [ 0.894676 0.447338 0.5 ] [ 0.607925 0.392075 0 ] [ 0.207136 0.792864 0 ] [ 0.392075 0.784151 0 ] [ 0.784151 0.392075 0 ] [ 0.792864 0.585729 0 ] [ 0.552662 0.447338 0.5 ] [ 0.607925 0.215849 0 ] [ 0.447338 0.552662 0.5 ] [ 0 0.614556 0 ] [ 0.552662 0.105324 0.5 ] [ 0.447338 0.894676 0.5 ] [ 0.585729 0.792864 0 ] [ 0.392075 0.607925 0 ] [ 0.792864 0.207136 0 ] [ 0.385444 0 0 ] [ 0.105324 0.552662 0.5 ] [ 0.385444 0.385444 0 ] [ 0.614556 0.614556 0 ] [ 0.614556 0 0 ] [ 0.207136 0.414271 0 ] [ 0.414271 0.207136 0 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 13.1604085393 "source-unit" "angstrom" } "c" { "source-value" 3.88901627 "source-unit" "angstrom" } }