{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0.5 ] [ 0.896328 0.232506 0.936258 ] [ 0.103672 0.767494 0.063742 ] [ 0.896328 0.767494 0.436258 ] [ 0.103672 0.232506 0.563742 ] [ 0.396328 0.732506 0.936258 ] [ 0.603672 0.267494 0.063742 ] [ 0.396328 0.267494 0.436258 ] [ 0.603672 0.732506 0.563742 ] [ 0.77925 0.084944 0.180251 ] [ 0 0.074036 0.25 ] [ 0.22075 0.915056 0.819749 ] [ 0.087719 0.616323 0.420575 ] [ 0.087719 0.383677 0.920575 ] [ 0.912281 0.383677 0.579425 ] [ 0.912281 0.616323 0.079425 ] [ 0.22075 0.084944 0.319749 ] [ 0.77925 0.915056 0.680251 ] [ 0 0.925964 0.75 ] [ 0.27925 0.584944 0.180251 ] [ 0.5 0.574036 0.25 ] [ 0.72075 0.415056 0.819749 ] [ 0.587719 0.116323 0.420575 ] [ 0.587719 0.883677 0.920575 ] [ 0.412281 0.883677 0.579425 ] [ 0.412281 0.116323 0.079425 ] [ 0.72075 0.584944 0.319749 ] [ 0.27925 0.415056 0.680251 ] [ 0.5 0.425964 0.75 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.8668183736 "source-unit" "angstrom" } "b" { "source-value" 7.18466993379 "source-unit" "angstrom" } "c" { "source-value" 8.09200736055 "source-unit" "angstrom" } "beta" { "source-value" 95.8875461723 "source-unit" "degree" } }