{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.333301 0.5 ] [ 0 0.666699 0.5 ] [ 0 0.166635 0 ] [ 0 0.5 0 ] [ 0 0.833365 0 ] [ 0.5 0.833301 0.5 ] [ 0.5 0.166699 0.5 ] [ 0.5 0.666635 0 ] [ 0.5 0 0 ] [ 0.5 0.333365 0 ] [ 0.115658 0.5 0.370726 ] [ 0.874957 0.332795 0.123329 ] [ 0.125043 0.332795 0.876671 ] [ 0.870761 0 0.115772 ] [ 0.374957 0.167205 0.123329 ] [ 0.872397 0.170415 0.629237 ] [ 0.884342 0.5 0.629274 ] [ 0.127603 0.829585 0.370763 ] [ 0.129239 0 0.884228 ] [ 0.625043 0.167205 0.876671 ] [ 0.127603 0.170415 0.370763 ] [ 0.872397 0.829585 0.629237 ] [ 0.615658 0 0.370726 ] [ 0.374957 0.832795 0.123329 ] [ 0.625043 0.832795 0.876671 ] [ 0.370761 0.5 0.115772 ] [ 0.874957 0.667205 0.123329 ] [ 0.372397 0.670415 0.629237 ] [ 0.384342 0 0.629274 ] [ 0.627603 0.329585 0.370763 ] [ 0.629239 0.5 0.884228 ] [ 0.125043 0.667205 0.876671 ] [ 0.627603 0.670415 0.370763 ] [ 0.372397 0.329585 0.629237 ] ] } "species" { "source-value" [ "Ce" "Ce" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.65544147 "source-unit" "angstrom" } "b" { "source-value" 11.52702048 "source-unit" "angstrom" } "c" { "source-value" 6.65455698 "source-unit" "angstrom" } "beta" { "source-value" 109.4713339 "source-unit" "degree" } }