{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.007472 0 0.014301 ] [ 0.680872 0.5 0.795666 ] [ 0.893595 0.5 0.583883 ] [ 0.507472 0.5 0.014301 ] [ 0.180872 0 0.795666 ] [ 0.393595 0 0.583883 ] [ 0.103317 0.5 0.409393 ] [ 0.301875 0.5 0.194081 ] [ 0.603317 0 0.409393 ] [ 0.801875 0 0.194081 ] [ 0.809993 0 0.940869 ] [ 0.58977 0 0.647994 ] [ 0.709952 0.5 0.571595 ] [ 0.982806 0 0.759698 ] [ 0.292963 0.5 0.435623 ] [ 0.007389 0 0.263755 ] [ 0.39901 0 0.344554 ] [ 0.202233 0 0.048806 ] [ 0.091084 0.5 0.136206 ] [ 0.309993 0.5 0.940869 ] [ 0.08977 0.5 0.647994 ] [ 0.209952 0 0.571595 ] [ 0.482806 0.5 0.759698 ] [ 0.792963 0 0.435623 ] [ 0.507389 0.5 0.263755 ] [ 0.89901 0.5 0.344554 ] [ 0.702233 0.5 0.048806 ] [ 0.591084 0 0.136206 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Th" "Th" "Th" "Th" "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" 13.15158897 "source-unit" "angstrom" } "b" { "source-value" 3.92722065 "source-unit" "angstrom" } "c" { "source-value" 9.68830472 "source-unit" "angstrom" } "beta" { "source-value" 119.4938702 "source-unit" "degree" } }