{ "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" [ [ 0.135896 0 0.043224 ] [ 0.864104 0 0.956776 ] [ 0.635896 0.5 0.043224 ] [ 0.364104 0.5 0.956776 ] [ 0.092182 0.5 0.634169 ] [ 0.190185 0.5 0.420975 ] [ 0.935695 0 0.589409 ] [ 0.064305 0 0.410591 ] [ 0.809815 0.5 0.579025 ] [ 0.907818 0.5 0.365831 ] [ 0.592182 0 0.634169 ] [ 0.690185 0 0.420975 ] [ 0.435695 0.5 0.589409 ] [ 0.564305 0.5 0.410591 ] [ 0.309815 0 0.579025 ] [ 0.407818 0 0.365831 ] [ 0.189627 0 0.680405 ] [ 0.810373 0 0.319595 ] [ 0.975236 0.5 0.752223 ] [ 0.024764 0.5 0.247777 ] [ 0.689627 0.5 0.680405 ] [ 0.310373 0.5 0.319595 ] [ 0.475236 0 0.752223 ] [ 0.524764 0 0.247777 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 14.6531732691 "source-unit" "angstrom" } "b" { "source-value" 3.9188456 "source-unit" "angstrom" } "c" { "source-value" 8.53182274566 "source-unit" "angstrom" } "beta" { "source-value" 112.169436158 "source-unit" "degree" } }