{ "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" [ [ 0.899754 0.5 0.59809 ] [ 0.5 0.5 0 ] [ 0.100246 0.5 0.40191 ] [ 0.399754 0 0.59809 ] [ 0 0 0 ] [ 0.600246 0 0.40191 ] [ 0.192009 0 0.792366 ] [ 0.307991 0.5 0.207634 ] [ 0.692009 0.5 0.792366 ] [ 0.807991 0 0.207634 ] [ 0 0.223076 0.5 ] [ 0.10975 0.750926 0.893233 ] [ 0 0.776924 0.5 ] [ 0.207762 0.267696 0.283387 ] [ 0.292238 0.767696 0.716613 ] [ 0.10975 0.249074 0.893233 ] [ 0.39025 0.250926 0.106767 ] [ 0.207762 0.732304 0.283387 ] [ 0.292238 0.232304 0.716613 ] [ 0.39025 0.749074 0.106767 ] [ 0.5 0.723076 0.5 ] [ 0.60975 0.250926 0.893233 ] [ 0.5 0.276924 0.5 ] [ 0.707762 0.767696 0.283387 ] [ 0.792238 0.267696 0.716613 ] [ 0.60975 0.749074 0.893233 ] [ 0.89025 0.750926 0.106767 ] [ 0.707762 0.232304 0.283387 ] [ 0.792238 0.732304 0.716613 ] [ 0.89025 0.249074 0.106767 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "U" "U" "U" "U" "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" 12.16188408 "source-unit" "angstrom" } "b" { "source-value" 5.55165293 "source-unit" "angstrom" } "c" { "source-value" 8.59542795 "source-unit" "angstrom" } "beta" { "source-value" 132.65619358 "source-unit" "degree" } }