{ "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" [ [ 0.355558 0.883037 0.865408 ] [ 0.644442 0.116963 0.134592 ] [ 0.855558 0.616963 0.365408 ] [ 0.144442 0.383037 0.634592 ] [ 0.105884 0.927824 0.8026 ] [ 0.605884 0.572176 0.3026 ] [ 0.394116 0.427824 0.6974 ] [ 0.894116 0.072176 0.1974 ] [ 0.70578 0.549273 0.926923 ] [ 0.20578 0.950727 0.426923 ] [ 0.79422 0.049273 0.573077 ] [ 0.29422 0.450727 0.073077 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "Se" "Se" "Se" "Se" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.58112838056 "source-unit" "angstrom" } "b" { "source-value" 4.01476887 "source-unit" "angstrom" } "c" { "source-value" 10.3615135966 "source-unit" "angstrom" } "beta" { "source-value" 92.5275223677 "source-unit" "degree" } }