{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.5 ] [ 0 0 0.895621 ] [ 0 0 0.104379 ] [ 0.5 0.5 0.395621 ] [ 0.5 0.5 0.604379 ] [ 0.76824 0.23176 0.113115 ] [ 0.76824 0.23176 0.886885 ] [ 0.23176 0.76824 0.886885 ] [ 0.76824 0.76824 0.113115 ] [ 0.23176 0.23176 0.886885 ] [ 0 0 0.760925 ] [ 0.23176 0.76824 0.113115 ] [ 0.23176 0.23176 0.113115 ] [ 0 0 0.239075 ] [ 0.76824 0.76824 0.886885 ] [ 0.26824 0.73176 0.613115 ] [ 0.26824 0.73176 0.386885 ] [ 0.73176 0.26824 0.386885 ] [ 0.26824 0.26824 0.613115 ] [ 0.73176 0.73176 0.386885 ] [ 0.5 0.5 0.260925 ] [ 0.73176 0.26824 0.613115 ] [ 0.73176 0.73176 0.613115 ] [ 0.5 0.5 0.739075 ] [ 0.26824 0.26824 0.386885 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ru" "Ru" "Ru" "Ru" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 7.3095143976 "source-unit" "angstrom" } "c" { "source-value" 17.3461565799 "source-unit" "angstrom" } }