{ "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 0 0 ] [ 0 0 0.181062 ] [ 0 0 0.818938 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.681062 ] [ 0.5 0.5 0.318938 ] [ 0.5 0.5 0.099423 ] [ 0.5 0.5 0.900577 ] [ 0 0 0.599423 ] [ 0 0 0.400577 ] [ 0.5 0 0.083651 ] [ 0 0.5 0.083651 ] [ 0.5 0.5 0.201045 ] [ 0.5 0.5 0.798955 ] [ 0 0.5 0.916349 ] [ 0.5 0 0.916349 ] [ 0 0.5 0.583651 ] [ 0.5 0 0.583651 ] [ 0 0 0.701045 ] [ 0 0 0.298955 ] [ 0.5 0 0.416349 ] [ 0 0.5 0.416349 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ta" "Ta" "Ta" "Ta" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.04578384 "source-unit" "angstrom" } "c" { "source-value" 19.48663654 "source-unit" "angstrom" } }