{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.821122 ] [ 0.5 0.5 0.178878 ] [ 0.5 0.5 0.5 ] [ 0 0 0.654086 ] [ 0 0 0.345914 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.629827 ] [ 0.5 0 0.370173 ] [ 0 0.5 0.629769 ] [ 0 0.5 0.370231 ] [ 0 0 0.84267 ] [ 0 0 0.15733 ] ] } "species" { "source-value" [ "Ba" "Ba" "Pr" "Cu" "Cu" "Cu" "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" 3.90392346 "source-unit" "angstrom" } "b" { "source-value" 3.95568041 "source-unit" "angstrom" } "c" { "source-value" 11.91643231 "source-unit" "angstrom" } }