{ "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 0.10098 0.5 ] [ 0.5 0.89902 0.5 ] [ 0 0.60098 0.5 ] [ 0 0.39902 0.5 ] [ 0 0.199049 0 ] [ 0 0.800951 0 ] [ 0 0 0 ] [ 0.5 0.699049 0 ] [ 0.5 0.300951 0 ] [ 0.5 0.5 0 ] [ 0.5 0.203116 0 ] [ 0.5 0.796884 0 ] [ 0 0.89837 0 ] [ 0 0.10163 0 ] [ 0.5 0 0 ] [ 0 0.703116 0 ] [ 0 0.296884 0 ] [ 0.5 0.39837 0 ] [ 0.5 0.60163 0 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 3.94489423963 "source-unit" "angstrom" } "b" { "source-value" 19.5873290812 "source-unit" "angstrom" } "c" { "source-value" 3.51031586 "source-unit" "angstrom" } }