{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.640245 0.75 ] [ 0 0.359755 0.25 ] [ 0.5 0.140245 0.75 ] [ 0.5 0.859755 0.25 ] [ 0 0.001382 0.75 ] [ 0 0.998618 0.25 ] [ 0.5 0.501382 0.75 ] [ 0.5 0.498618 0.25 ] [ 0.8109 0.891571 0.906034 ] [ 0.8109 0.108429 0.406034 ] [ 0.1891 0.891571 0.593966 ] [ 0.1891 0.108429 0.093966 ] [ 0.3109 0.391571 0.906034 ] [ 0.3109 0.608429 0.406034 ] [ 0.6891 0.391571 0.593966 ] [ 0.6891 0.608429 0.093966 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Fe" "Fe" "Fe" "Fe" "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" 7.5523111 "source-unit" "angstrom" } "b" { "source-value" 12.12866002 "source-unit" "angstrom" } "c" { "source-value" 5.67201548 "source-unit" "angstrom" } "beta" { "source-value" 111.68338065 "source-unit" "degree" } }