{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.330729 0.830729 0 ] [ 0.830729 0.669271 0 ] [ 0.169271 0.330729 0 ] [ 0.669271 0.169271 0 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.423553 0.286646 0.5 ] [ 0.576447 0.713354 0.5 ] [ 0.713354 0.423553 0.5 ] [ 0.286646 0.576447 0.5 ] [ 0.786646 0.923553 0.5 ] [ 0.923553 0.213354 0.5 ] [ 0.076447 0.786646 0.5 ] [ 0.213354 0.076447 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.215756 0.715756 0.5 ] [ 0.715756 0.784244 0.5 ] [ 0.284244 0.215756 0.5 ] [ 0.784244 0.284244 0.5 ] [ 0.367753 0.439028 0.5 ] [ 0.632247 0.560972 0.5 ] [ 0.560972 0.367753 0.5 ] [ 0.439028 0.632247 0.5 ] [ 0.939028 0.867753 0.5 ] [ 0.867753 0.060972 0.5 ] [ 0.132247 0.939028 0.5 ] [ 0.060972 0.132247 0.5 ] [ 0.501372 0.157334 0.5 ] [ 0.498628 0.842666 0.5 ] [ 0.842666 0.501372 0.5 ] [ 0.157334 0.498628 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.192797 0.077151 0 ] [ 0.077151 0.807203 0 ] [ 0.922849 0.192797 0 ] [ 0.807203 0.922849 0 ] [ 0.307203 0.577151 0 ] [ 0.692797 0.422849 0 ] [ 0.577151 0.692797 0 ] [ 0.422849 0.307203 0 ] [ 0.342666 0.998628 0.5 ] [ 0.998628 0.657334 0.5 ] [ 0.001372 0.342666 0.5 ] [ 0.657334 0.001372 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ce" "Ce" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "O" "O" "O" "O" "O" "O" "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" 12.70731149 "source-unit" "angstrom" } "c" { "source-value" 3.95183774 "source-unit" "angstrom" } }