{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.165866 0.665866 0 ] [ 0.665866 0.834134 0 ] [ 0 0 0.75 ] [ 0.834134 0.334134 0 ] [ 0.5 0.5 0.75 ] [ 0.334134 0.165866 0 ] [ 0.665866 0.165866 0.5 ] [ 0.165866 0.334134 0.5 ] [ 0.5 0.5 0.25 ] [ 0.334134 0.834134 0.5 ] [ 0 0 0.25 ] [ 0.834134 0.665866 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.861594 0.638406 0.842154 ] [ 0.138406 0.361594 0.842154 ] [ 0.138406 0.361594 0.157846 ] [ 0.5 0.5 0 ] [ 0.361594 0.861594 0.842154 ] [ 0.638406 0.138406 0.157846 ] [ 0.638406 0.138406 0.842154 ] [ 0.861594 0.638406 0.157846 ] [ 0.361594 0.861594 0.157846 ] [ 0 0 0 ] [ 0.361594 0.138406 0.342154 ] [ 0.638406 0.861594 0.342154 ] [ 0.638406 0.861594 0.657846 ] [ 0 0 0.5 ] [ 0.861594 0.361594 0.342154 ] [ 0.138406 0.638406 0.657846 ] [ 0.138406 0.638406 0.342154 ] [ 0.361594 0.138406 0.657846 ] [ 0.861594 0.361594 0.657846 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Zn" "Zn" "Zn" "Zn" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.41318154194 "source-unit" "angstrom" } "c" { "source-value" 14.762907132 "source-unit" "angstrom" } }