{ "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 0.191805 0.75 ] [ 0 0.938269 0.75 ] [ 0 0.808195 0.25 ] [ 0 0.061731 0.25 ] [ 0.5 0.691805 0.75 ] [ 0.5 0.438269 0.75 ] [ 0.5 0.308195 0.25 ] [ 0.5 0.561731 0.25 ] [ 0.5 0.815464 0.25 ] [ 0.5 0.96756 0.25 ] [ 0.5 0.03244 0.75 ] [ 0.5 0.184536 0.75 ] [ 0 0.315464 0.25 ] [ 0 0.46756 0.25 ] [ 0 0.53244 0.75 ] [ 0 0.684536 0.75 ] [ 0.5 0.123188 0.25 ] [ 0.5 0.876812 0.75 ] [ 0 0.623188 0.25 ] [ 0 0.376812 0.75 ] [ 0.302792 0.180814 0.341374 ] [ 0.29954 0.933817 0.45236 ] [ 0.70046 0.066183 0.54764 ] [ 0.697208 0.819186 0.658626 ] [ 0.70046 0.933817 0.04764 ] [ 0.697208 0.180814 0.158626 ] [ 0.302792 0.819186 0.841374 ] [ 0.29954 0.066183 0.95236 ] [ 0.802792 0.680814 0.341374 ] [ 0.79954 0.433817 0.45236 ] [ 0.20046 0.566183 0.54764 ] [ 0.197208 0.319186 0.658626 ] [ 0.20046 0.433817 0.04764 ] [ 0.197208 0.680814 0.158626 ] [ 0.802792 0.319186 0.841374 ] [ 0.79954 0.566183 0.95236 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ge" "Ge" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" "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" 7.65343198364 "source-unit" "angstrom" } "b" { "source-value" 22.5735322492 "source-unit" "angstrom" } "c" { "source-value" 6.40020644315 "source-unit" "angstrom" } "beta" { "source-value" 115.685504362 "source-unit" "degree" } }