{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1md" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.259996 ] [ 0 0 0.009996 ] [ 0 0.5 0.759996 ] [ 0.5 0.5 0.509996 ] [ 0 0.5 0.250717 ] [ 0 0 0.500717 ] [ 0.5 0 0.750717 ] [ 0.5 0.5 0.000717 ] [ 0 0.802884 0.75376 ] [ 0 0.802829 0.240883 ] [ 0.697171 0 0.490883 ] [ 0.697116 0 0.00376 ] [ 0.302884 0 0.00376 ] [ 0.802829 0.5 0.990883 ] [ 0 0.197116 0.75376 ] [ 0 0.197171 0.240883 ] [ 0.5 0.302884 0.25376 ] [ 0.5 0.302829 0.740883 ] [ 0.197171 0.5 0.990883 ] [ 0.197116 0.5 0.50376 ] [ 0.802884 0.5 0.50376 ] [ 0.302829 0 0.490883 ] [ 0.5 0.697116 0.25376 ] [ 0.5 0.697171 0.740883 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Fe" "Fe" "Fe" "Fe" "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" 6.70619252 "source-unit" "angstrom" } "c" { "source-value" 6.15206784 "source-unit" "angstrom" } }