{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.232646 ] [ 0.5 0.5 0.767354 ] [ 0 0 0.376556 ] [ 0 0 0.623444 ] [ 0 0 0.102187 ] [ 0 0 0.897813 ] [ 0 0 0.5 ] [ 0 0.5 0.391092 ] [ 0.5 0 0.391092 ] [ 0 0.5 0.608908 ] [ 0.5 0 0.608908 ] [ 0 0 0.258968 ] [ 0 0 0.741032 ] [ 0 0.5 0.091238 ] [ 0.5 0 0.091238 ] [ 0 0.5 0.908762 ] [ 0.5 0 0.908762 ] ] } "species" { "source-value" [ "Tb" "Tb" "Ba" "Ba" "Ti" "Ti" "Cu" "Cu" "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" 3.90689936 "source-unit" "angstrom" } "c" { "source-value" 15.95595149 "source-unit" "angstrom" } }