{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.521577 0.25 ] [ 0 0 0 ] [ 0.75 0.478423 0.75 ] [ 0.5 0 0.5 ] [ 0.532811 0.750027 0.031862 ] [ 0.032811 0.249973 0.531862 ] [ 0.467189 0.249973 0.968138 ] [ 0.967189 0.750027 0.468138 ] [ 0.75 0.249203 0.25 ] [ 0.25 0.750797 0.75 ] [ 0.044598 0.030875 0.311394 ] [ 0.193089 0.529813 0.926419 ] [ 0.806911 0.470187 0.073581 ] [ 0.306911 0.529813 0.573581 ] [ 0.455402 0.030875 0.188606 ] [ 0.693089 0.470187 0.426419 ] [ 0.544598 0.969125 0.811394 ] [ 0.955402 0.969125 0.688606 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ag" "Ag" "Ag" "Ag" "Sn" "Sn" "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" 7.69126711879 "source-unit" "angstrom" } "b" { "source-value" 6.017349 "source-unit" "angstrom" } "c" { "source-value" 11.7173835939 "source-unit" "angstrom" } "beta" { "source-value" 103.067977214 "source-unit" "degree" } }