{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.145206 ] [ 0.5 0.5 0.854794 ] [ 0 0 0.645206 ] [ 0 0 0.354794 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.845045 ] [ 0 0 0.154955 ] [ 0 0.5 0 ] [ 0.5 0.5 0.345045 ] [ 0.5 0.5 0.654955 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Pd" "Pd" "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" 3.90444255999 "source-unit" "angstrom" } "b" { "source-value" 4.15715873455 "source-unit" "angstrom" } "c" { "source-value" 13.4745299696 "source-unit" "angstrom" } }