{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.008627 0.96105 0.75 ] [ 0.508627 0.53895 0.25 ] [ 0.491373 0.46105 0.75 ] [ 0.991373 0.03895 0.25 ] [ 0.701119 0.296236 0.4533 ] [ 0.201119 0.203764 0.5467 ] [ 0.798881 0.796236 0.0467 ] [ 0.298881 0.703764 0.9533 ] [ 0.298881 0.703764 0.5467 ] [ 0.798881 0.796236 0.4533 ] [ 0.201119 0.203764 0.9533 ] [ 0.701119 0.296236 0.0467 ] [ 0.08944 0.47196 0.25 ] [ 0.58944 0.02804 0.75 ] [ 0.41056 0.97196 0.25 ] [ 0.91056 0.52804 0.75 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Cd" "Cd" "Cd" "Cd" "O" "O" "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" 5.36967809 "source-unit" "angstrom" } "b" { "source-value" 5.48663885 "source-unit" "angstrom" } "c" { "source-value" 7.71809525 "source-unit" "angstrom" } }