{ "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 0.819391 ] [ 0.5 0.5 0.180609 ] [ 0.5 0.5 0.5 ] [ 0 0 0.646678 ] [ 0 0 0.353322 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.620653 ] [ 0.5 0 0.379347 ] [ 0 0.5 0.621651 ] [ 0 0.5 0.378349 ] [ 0 0 0.84082 ] [ 0 0 0.15918 ] ] } "species" { "source-value" [ "Ba" "Ba" "Y" "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" 3.84466811 "source-unit" "angstrom" } "b" { "source-value" 3.92615248 "source-unit" "angstrom" } "c" { "source-value" 11.82366363 "source-unit" "angstrom" } }