{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.241916 ] [ 0.5 0 0.758084 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.261402 ] [ 0 0.5 0.738598 ] [ 0 0.5 0.962868 ] [ 0.5 0 0.037132 ] [ 0.232642 0.732642 0.665371 ] [ 0.767358 0.267358 0.665371 ] [ 0.732642 0.232642 0.334629 ] [ 0.232642 0.267358 0.665371 ] [ 0.767358 0.732642 0.665371 ] [ 0.267358 0.232642 0.334629 ] [ 0.267358 0.767358 0.334629 ] [ 0.732642 0.767358 0.334629 ] ] } "species" { "source-value" [ "K" "K" "Na" "Na" "Gd" "Gd" "Nb" "Nb" "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" 5.72115417 "source-unit" "angstrom" } "c" { "source-value" 8.36856784 "source-unit" "angstrom" } }