{ "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" [ [ 0.864547 0 0.956831 ] [ 0.135453 0 0.043169 ] [ 0.364547 0.5 0.956831 ] [ 0.635453 0.5 0.043169 ] [ 0.941676 0 0.59857 ] [ 0.058324 0 0.40143 ] [ 0.09584 0.5 0.646474 ] [ 0.90416 0.5 0.353526 ] [ 0.811802 0.5 0.58212 ] [ 0.188198 0.5 0.41788 ] [ 0.441676 0.5 0.59857 ] [ 0.558324 0.5 0.40143 ] [ 0.59584 0 0.646474 ] [ 0.40416 0 0.353526 ] [ 0.311802 0 0.58212 ] [ 0.688198 0 0.41788 ] [ 0.191633 0 0.685266 ] [ 0.808367 0 0.314734 ] [ 0.978331 0.5 0.764722 ] [ 0.021669 0.5 0.235278 ] [ 0.691633 0.5 0.685266 ] [ 0.308367 0.5 0.314734 ] [ 0.478331 0 0.764722 ] [ 0.521669 0 0.235278 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.3220417385 "source-unit" "angstrom" } "b" { "source-value" 4.37754016 "source-unit" "angstrom" } "c" { "source-value" 9.16837135105 "source-unit" "angstrom" } "beta" { "source-value" 113.017207026 "source-unit" "degree" } }