{ "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" [ [ 0.826136 0 0.646776 ] [ 0.173864 0 0.353224 ] [ 0.321122 0.5 0.147365 ] [ 0.794197 0 0.732258 ] [ 0.205803 0 0.267742 ] [ 0.678878 0.5 0.852635 ] [ 0.929235 0 0.21364 ] [ 0.070765 0 0.78636 ] [ 0.326136 0.5 0.646776 ] [ 0.673864 0.5 0.353224 ] [ 0.821122 0 0.147365 ] [ 0.294197 0.5 0.732258 ] [ 0.705803 0.5 0.267742 ] [ 0.178878 0 0.852635 ] [ 0.429235 0.5 0.21364 ] [ 0.570765 0.5 0.78636 ] [ 0.852259 0 0.522499 ] [ 0.04967 0.5 0.481154 ] [ 0.059089 0.5 0.005185 ] [ 0.940911 0.5 0.994815 ] [ 0.95033 0.5 0.518846 ] [ 0.817861 0.5 0.95405 ] [ 0.182139 0.5 0.04595 ] [ 0.147741 0 0.477501 ] [ 0.352259 0.5 0.522499 ] [ 0.54967 0 0.481154 ] [ 0.559089 0 0.005185 ] [ 0.440911 0 0.994815 ] [ 0.45033 0 0.518846 ] [ 0.317861 0 0.95405 ] [ 0.682139 0 0.04595 ] [ 0.647741 0.5 0.477501 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 40.639743645 "source-unit" "angstrom" } "b" { "source-value" 4.26812436819 "source-unit" "angstrom" } "c" { "source-value" 21.4937525951 "source-unit" "angstrom" } "beta" { "source-value" 160.099171897 "source-unit" "degree" } }