{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.80974 0.30974 0 ] [ 0.30974 0.19026 0 ] [ 0.69026 0.80974 0 ] [ 0.19026 0.69026 0 ] [ 0 0 0.200057 ] [ 0.5 0.5 0.799943 ] [ 0 0 0.799943 ] [ 0.5 0.5 0.200057 ] [ 0.586929 0.086929 0.5 ] [ 0.086929 0.413071 0.5 ] [ 0.913071 0.586929 0.5 ] [ 0.413071 0.913071 0.5 ] [ 0.038584 0.179061 0.5 ] [ 0.179061 0.961416 0.5 ] [ 0.820939 0.038584 0.5 ] [ 0.961416 0.820939 0.5 ] [ 0.461416 0.679061 0.5 ] [ 0.538584 0.320939 0.5 ] [ 0.679061 0.538584 0.5 ] [ 0.320939 0.461416 0.5 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.02406191 "source-unit" "angstrom" } "c" { "source-value" 3.95002174 "source-unit" "angstrom" } }