{ "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" [ [ 0.09086 0.5 0.325802 ] [ 0.15882 0 0.034979 ] [ 0.90914 0.5 0.674198 ] [ 0.84118 0 0.965021 ] [ 0.59086 0 0.325802 ] [ 0.65882 0.5 0.034979 ] [ 0.40914 0 0.674198 ] [ 0.34118 0.5 0.965021 ] [ 0.345433 0.5 0.390132 ] [ 0.654567 0.5 0.609868 ] [ 0.845433 0 0.390132 ] [ 0.154567 0 0.609868 ] [ 0.809256 0.5 0.889089 ] [ 0.41141 0.261186 0.36205 ] [ 0.190744 0.5 0.110911 ] [ 0.58859 0.261186 0.63795 ] [ 0.874124 0 0.635799 ] [ 0.125876 0 0.364201 ] [ 0.58859 0.738814 0.63795 ] [ 0.41141 0.738814 0.36205 ] [ 0.309256 0 0.889089 ] [ 0.91141 0.761186 0.36205 ] [ 0.690744 0 0.110911 ] [ 0.08859 0.761186 0.63795 ] [ 0.374124 0.5 0.635799 ] [ 0.625876 0.5 0.364201 ] [ 0.08859 0.238814 0.63795 ] [ 0.91141 0.238814 0.36205 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Si" "Si" "Si" "Si" "Se" "Se" "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" 18.2312276636 "source-unit" "angstrom" } "b" { "source-value" 7.84289219261 "source-unit" "angstrom" } "c" { "source-value" 10.3548263823 "source-unit" "angstrom" } "beta" { "source-value" 133.680174787 "source-unit" "degree" } }