{ "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 0.845258 0.5 ] [ 0.5 0.154742 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0.345258 0.5 ] [ 0 0.654742 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.167984 0 ] [ 0 0.832016 0 ] [ 0.5 0.667984 0 ] [ 0.5 0.332016 0 ] [ 0.79909 0 0.790031 ] [ 0.241116 0.186016 0.786711 ] [ 0.241116 0.813984 0.786711 ] [ 0.758884 0.813984 0.213289 ] [ 0.758884 0.186016 0.213289 ] [ 0.20091 0 0.209969 ] [ 0.29909 0.5 0.790031 ] [ 0.741116 0.686016 0.786711 ] [ 0.741116 0.313984 0.786711 ] [ 0.258884 0.313984 0.213289 ] [ 0.258884 0.686016 0.213289 ] [ 0.70091 0.5 0.209969 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "U" "U" "U" "U" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.07988527669 "source-unit" "angstrom" } "b" { "source-value" 14.0044994 "source-unit" "angstrom" } "c" { "source-value" 8.67535975681 "source-unit" "angstrom" } "beta" { "source-value" 108.365671456 "source-unit" "degree" } }