{ "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" [ [ 0.298181 0 0.254888 ] [ 0.701819 0 0.745112 ] [ 0.798181 0.5 0.254888 ] [ 0.201819 0.5 0.745112 ] [ 0.975698 0 0.350001 ] [ 0.024302 0 0.649999 ] [ 0.475698 0.5 0.350001 ] [ 0.524302 0.5 0.649999 ] [ 0 0.743085 0 ] [ 0 0.256915 0 ] [ 0.5 0.243085 0 ] [ 0.5 0.756915 0 ] [ 0.786034 0 0.202029 ] [ 0.072336 0.749538 0.324854 ] [ 0.072336 0.250462 0.324854 ] [ 0.927664 0.749538 0.675146 ] [ 0.927664 0.250462 0.675146 ] [ 0.213966 0 0.797971 ] [ 0.286034 0.5 0.202029 ] [ 0.572336 0.249538 0.324854 ] [ 0.572336 0.750462 0.324854 ] [ 0.427664 0.249538 0.675146 ] [ 0.427664 0.750462 0.675146 ] [ 0.713966 0.5 0.797971 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "P" "P" "P" "P" "Au" "Au" "Au" "Au" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.4428669 "source-unit" "angstrom" } "b" { "source-value" 7.40417584 "source-unit" "angstrom" } "c" { "source-value" 8.24099536 "source-unit" "angstrom" } "beta" { "source-value" 114.56405955 "source-unit" "degree" } }