{ "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" [ [ 0.208884 0.791116 0.956454 ] [ 0.208884 0.417767 0.956454 ] [ 0.582233 0.791116 0.956454 ] [ 0.417767 0.208884 0.456454 ] [ 0.791116 0.582233 0.043546 ] [ 0.791116 0.208884 0.456454 ] [ 0.791116 0.582233 0.456454 ] [ 0.208884 0.791116 0.543546 ] [ 0.582233 0.791116 0.543546 ] [ 0.417767 0.208884 0.043546 ] [ 0.791116 0.208884 0.043546 ] [ 0.208884 0.417767 0.543546 ] [ 0.23909 0.119545 0.75 ] [ 0.880455 0.119545 0.75 ] [ 0.76091 0.880455 0.25 ] [ 0.119545 0.23909 0.25 ] [ 0.119545 0.880455 0.25 ] [ 0.880455 0.76091 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0 0 0 ] [ 0.05565 0.527825 0.25 ] [ 0.472175 0.94435 0.25 ] [ 0.527825 0.05565 0.75 ] [ 0.527825 0.472175 0.75 ] [ 0 0 0.5 ] [ 0.472175 0.527825 0.25 ] [ 0.94435 0.472175 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "K" "K" "K" "K" "K" "K" "Al" "Al" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "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" 11.1757691298 "source-unit" "angstrom" } "c" { "source-value" 11.7177635 "source-unit" "angstrom" } }