{ "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" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.803528 0.5 0.845751 ] [ 0.196472 0.5 0.154249 ] [ 0.303528 0 0.845751 ] [ 0.696472 0 0.154249 ] [ 0.350313 0.5 0.332828 ] [ 0.171058 0.5 0.928135 ] [ 0.649687 0.5 0.667172 ] [ 0.828942 0.5 0.071865 ] [ 0.882028 0.250318 0.794637 ] [ 0.117972 0.749682 0.205363 ] [ 0.882028 0.749682 0.794637 ] [ 0.117972 0.250318 0.205363 ] [ 0.850313 0 0.332828 ] [ 0.671058 0 0.928135 ] [ 0.149687 0 0.667172 ] [ 0.328942 0 0.071865 ] [ 0.382028 0.750318 0.794637 ] [ 0.617972 0.249682 0.205363 ] [ 0.382028 0.249682 0.794637 ] [ 0.617972 0.750318 0.205363 ] ] } "species" { "source-value" [ "Rb" "Rb" "Au" "Au" "Se" "Se" "Se" "Se" "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" 11.3184554076 "source-unit" "angstrom" } "b" { "source-value" 5.36893145 "source-unit" "angstrom" } "c" { "source-value" 7.74295473847 "source-unit" "angstrom" } "beta" { "source-value" 118.037454528 "source-unit" "degree" } }