{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.484035 0.448403 0.759881 ] [ 0.015965 0.948403 0.740119 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.984035 0.051597 0.259881 ] [ 0.515965 0.551597 0.240119 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.12933 0.428793 0.230989 ] [ 0.37067 0.928793 0.269011 ] [ 0.87067 0.571207 0.769011 ] [ 0.62933 0.071207 0.730989 ] [ 0.204245 0.178725 0.554785 ] [ 0.295755 0.678725 0.945215 ] [ 0.795755 0.821275 0.445215 ] [ 0.704245 0.321275 0.054785 ] [ 0.822898 0.784613 0.083368 ] [ 0.677102 0.284613 0.416632 ] [ 0.177102 0.215387 0.916632 ] [ 0.322898 0.715387 0.583368 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "U" "U" "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" 5.76377419478 "source-unit" "angstrom" } "b" { "source-value" 5.99427153 "source-unit" "angstrom" } "c" { "source-value" 8.39936842579 "source-unit" "angstrom" } "beta" { "source-value" 90.6897777967 "source-unit" "degree" } }