{ "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" [ [ 0.926051 0.5 0.266418 ] [ 0.141723 0 0.43908 ] [ 0.858277 0 0.56092 ] [ 0.073949 0.5 0.733582 ] [ 0.426051 0 0.266418 ] [ 0.641723 0.5 0.43908 ] [ 0.358277 0.5 0.56092 ] [ 0.573949 0 0.733582 ] [ 0.212194 0.5 0.144827 ] [ 0.787806 0.5 0.855173 ] [ 0.712194 0 0.144827 ] [ 0.287806 0 0.855173 ] [ 0.219446 0 0.134266 ] [ 0.919296 0 0.289042 ] [ 0.147561 0.5 0.429037 ] [ 0.852439 0.5 0.570963 ] [ 0.080704 0 0.710958 ] [ 0.780554 0 0.865734 ] [ 0 0.5 0 ] [ 0.719446 0.5 0.134266 ] [ 0.419296 0.5 0.289042 ] [ 0.647561 0 0.429037 ] [ 0.352439 0 0.570963 ] [ 0.580704 0.5 0.710958 ] [ 0.280554 0.5 0.865734 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Bi" "Bi" "Bi" "Bi" "Se" "Se" "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" 13.58839866 "source-unit" "angstrom" } "b" { "source-value" 6.01290636 "source-unit" "angstrom" } "c" { "source-value" 9.50292533 "source-unit" "angstrom" } "beta" { "source-value" 99.19672346 "source-unit" "degree" } }