{ "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 0 0.779616 ] [ 0 0 0.220384 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.896495 ] [ 0.5 0.5 0.103505 ] [ 0.5 0.5 0.386886 ] [ 0.5 0.5 0.613114 ] [ 0 0.5 0.909183 ] [ 0.5 0 0.090817 ] [ 0 0.5 0.090817 ] [ 0.5 0 0.909183 ] [ 0 0 0.383629 ] [ 0.5 0.5 0.74966 ] [ 0.5 0.5 0.25034 ] [ 0 0 0.616371 ] ] } "species" { "source-value" [ "Sr" "Sr" "Dy" "Cu" "Cu" "Cu" "Pb" "Pb" "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" 3.83396461501 "source-unit" "angstrom" } "c" { "source-value" 16.03081411 "source-unit" "angstrom" } }