{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.5 ] [ 0 0.25 0.5 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.25 0 0.5 ] [ 0.25 0.5 0 ] [ 0.5 0.25 0 ] [ 0.5 0.75 0 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.75 0.5 0 ] [ 0.75 0 0.5 ] [ 0.834177 0.834177 0.834177 ] [ 0.165823 0.165823 0.834177 ] [ 0.165823 0.834177 0.165823 ] [ 0.834177 0.165823 0.165823 ] [ 0.334177 0.334177 0.334177 ] [ 0.665823 0.665823 0.334177 ] [ 0.665823 0.334177 0.665823 ] [ 0.334177 0.665823 0.665823 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.586684 0.859781 0.859781 ] [ 0.640219 0.359781 0.913316 ] [ 0.586684 0.140219 0.140219 ] [ 0.359781 0.913316 0.640219 ] [ 0.859781 0.586684 0.859781 ] [ 0.913316 0.640219 0.359781 ] [ 0.359781 0.640219 0.913316 ] [ 0.140219 0.140219 0.586684 ] [ 0.859781 0.859781 0.586684 ] [ 0.140219 0.586684 0.140219 ] [ 0.640219 0.913316 0.359781 ] [ 0.913316 0.359781 0.640219 ] [ 0.086684 0.359781 0.359781 ] [ 0.140219 0.859781 0.413316 ] [ 0.086684 0.640219 0.640219 ] [ 0.859781 0.413316 0.140219 ] [ 0.359781 0.086684 0.359781 ] [ 0.413316 0.140219 0.859781 ] [ 0.859781 0.140219 0.413316 ] [ 0.640219 0.640219 0.086684 ] [ 0.359781 0.359781 0.086684 ] [ 0.640219 0.086684 0.640219 ] [ 0.140219 0.413316 0.859781 ] [ 0.413316 0.859781 0.140219 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "S" "S" "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" 8.94597018 "source-unit" "angstrom" } }