{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbam" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.060137 0.322829 ] [ 0.5 0.439863 0.822829 ] [ 0.5 0.560137 0.177171 ] [ 0.5 0.939863 0.677171 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.14647 0.80127 ] [ 0.5 0.246934 0.038501 ] [ 0.5 0.253066 0.538501 ] [ 0 0.35353 0.30127 ] [ 0 0.64647 0.69873 ] [ 0.5 0.746934 0.461499 ] [ 0.5 0.753066 0.961499 ] [ 0 0.85353 0.19873 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "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" 3.36526395 "source-unit" "angstrom" } "b" { "source-value" 5.75198595 "source-unit" "angstrom" } "c" { "source-value" 10.17753657 "source-unit" "angstrom" } }