{ "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" [ [ 0.85368 0 0.811149 ] [ 0.14632 0 0.188851 ] [ 0.35368 0.5 0.811149 ] [ 0.64632 0.5 0.188851 ] [ 0.091117 0 0.491384 ] [ 0.946502 0 0.227342 ] [ 0.908883 0 0.508616 ] [ 0.13582 0.5 0.726304 ] [ 0.86418 0.5 0.273696 ] [ 0.053498 0 0.772658 ] [ 0.591117 0.5 0.491384 ] [ 0.446502 0.5 0.227342 ] [ 0.408883 0.5 0.508616 ] [ 0.63582 0 0.726304 ] [ 0.36418 0 0.273696 ] [ 0.553498 0.5 0.772658 ] [ 0.026787 0.5 0.275077 ] [ 0.20447 0 0.751457 ] [ 0.79553 0 0.248543 ] [ 0.973213 0.5 0.724923 ] [ 0.526787 0 0.275077 ] [ 0.70447 0.5 0.751457 ] [ 0.29553 0.5 0.248543 ] [ 0.473213 0 0.724923 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "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" 18.3509969217 "source-unit" "angstrom" } "b" { "source-value" 4.35272763 "source-unit" "angstrom" } "c" { "source-value" 9.96128489363 "source-unit" "angstrom" } "beta" { "source-value" 117.551663792 "source-unit" "degree" } }