{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.5 0.875 ] [ 0.75 0 0.625 ] [ 0.25 0 0.375 ] [ 0.25 0.5 0.125 ] [ 0.453978 0.879943 0.67362 ] [ 0.75 0.75 0.25 ] [ 0.629943 0.796022 0.92362 ] [ 0.953978 0.620057 0.17362 ] [ 0.129943 0.703978 0.42362 ] [ 0.629943 0.703978 0.57638 ] [ 0.129943 0.796022 0.07638 ] [ 0.453978 0.620057 0.82638 ] [ 0.546022 0.879943 0.32638 ] [ 0.75 0 0.125 ] [ 0.370057 0.796022 0.07638 ] [ 0.75 0.5 0.375 ] [ 0.5 0 0 ] [ 0.870057 0.703978 0.57638 ] [ 0.546022 0.620057 0.17362 ] [ 0.046022 0.620057 0.82638 ] [ 0.370057 0.703978 0.42362 ] [ 0.870057 0.796022 0.92362 ] [ 0.953978 0.879943 0.32638 ] [ 0.046022 0.879943 0.67362 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.953978 0.379943 0.17362 ] [ 0.25 0.25 0.75 ] [ 0.129943 0.296022 0.42362 ] [ 0.453978 0.120057 0.67362 ] [ 0.629943 0.203978 0.92362 ] [ 0.129943 0.203978 0.07638 ] [ 0.629943 0.296022 0.57638 ] [ 0.953978 0.120057 0.32638 ] [ 0.046022 0.379943 0.82638 ] [ 0.25 0.5 0.625 ] [ 0.870057 0.296022 0.57638 ] [ 0.25 0 0.875 ] [ 0 0.5 0.5 ] [ 0.370057 0.203978 0.07638 ] [ 0.046022 0.120057 0.67362 ] [ 0.546022 0.120057 0.32638 ] [ 0.870057 0.203978 0.92362 ] [ 0.370057 0.296022 0.42362 ] [ 0.453978 0.379943 0.82638 ] [ 0.546022 0.379943 0.17362 ] [ 0 0 0 ] [ 0.75 0.25 0.25 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.125361597 "source-unit" "angstrom" } "c" { "source-value" 7.82404342583 "source-unit" "angstrom" } }