{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.669764 ] [ 0.333333 0.666667 0.330236 ] [ 0.666667 0.333333 0.187992 ] [ 0.333333 0.666667 0.812008 ] [ 0.827844 0.172156 0.338797 ] [ 0.827844 0.655688 0.338797 ] [ 0.344312 0.172156 0.338797 ] [ 0.655688 0.827844 0.661203 ] [ 0.172156 0.344312 0.661203 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.172156 0.827844 0.661203 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Sb" "Sb" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.0506087591 "source-unit" "angstrom" } "c" { "source-value" 9.77617868 "source-unit" "angstrom" } }