{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.864356 0.5 ] [ 0.5 0.135644 0.5 ] [ 0 0.364356 0.5 ] [ 0 0.635644 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.938757 0 ] [ 0 0.061243 0 ] [ 0 0.787371 0 ] [ 0 0.212629 0 ] [ 0.5 0.438757 0 ] [ 0.5 0.561243 0 ] [ 0.5 0.287371 0 ] [ 0.5 0.712629 0 ] [ 0.5 0.781538 0 ] [ 0.5 0.218462 0 ] [ 0.5 0.948129 0 ] [ 0.5 0.051871 0 ] [ 0 0.947965 0.5 ] [ 0 0.052035 0.5 ] [ 0 0.854674 0 ] [ 0 0.145326 0 ] [ 0 0.281538 0 ] [ 0 0.718462 0 ] [ 0 0.448129 0 ] [ 0 0.551871 0 ] [ 0.5 0.447965 0.5 ] [ 0.5 0.552035 0.5 ] [ 0.5 0.354674 0 ] [ 0.5 0.645326 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Dy" "Dy" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 3.8975212 "source-unit" "angstrom" } "b" { "source-value" 27.48272603 "source-unit" "angstrom" } "c" { "source-value" 3.88624588 "source-unit" "angstrom" } }