{ "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 0.086211 0.25 ] [ 0 0.913789 0.75 ] [ 0.5 0.586211 0.25 ] [ 0.5 0.413789 0.75 ] [ 0 0.493744 0.25 ] [ 0 0.506256 0.75 ] [ 0.5 0.993744 0.25 ] [ 0.5 0.006256 0.75 ] [ 0.364573 0.120585 0.180875 ] [ 0.635427 0.120585 0.319125 ] [ 0.188513 0.903922 0.043181 ] [ 0.892588 0.722652 0.12818 ] [ 0.811487 0.096078 0.956819 ] [ 0.364573 0.879415 0.680875 ] [ 0.811487 0.903922 0.456819 ] [ 0.71726 0.880759 0.390722 ] [ 0.879609 0.349618 0.178394 ] [ 0.28274 0.119241 0.609278 ] [ 0.120391 0.650382 0.821606 ] [ 0.879609 0.650382 0.678394 ] [ 0.907652 0.822623 0.076871 ] [ 0.892588 0.277348 0.62818 ] [ 0.907652 0.177377 0.576871 ] [ 0.28274 0.880759 0.109278 ] [ 0.635427 0.879415 0.819125 ] [ 0.188513 0.096078 0.543181 ] [ 0.120391 0.349618 0.321606 ] [ 0.092348 0.177377 0.923129 ] [ 0.107412 0.722652 0.37182 ] [ 0.107412 0.277348 0.87182 ] [ 0.092348 0.822623 0.423129 ] [ 0.71726 0.119241 0.890722 ] [ 0.864573 0.620585 0.180875 ] [ 0.135427 0.620585 0.319125 ] [ 0.688513 0.403922 0.043181 ] [ 0.392588 0.222652 0.12818 ] [ 0.311487 0.596078 0.956819 ] [ 0.864573 0.379415 0.680875 ] [ 0.311487 0.403922 0.456819 ] [ 0.21726 0.380759 0.390722 ] [ 0.379609 0.849618 0.178394 ] [ 0.78274 0.619241 0.609278 ] [ 0.620391 0.150382 0.821606 ] [ 0.379609 0.150382 0.678394 ] [ 0.407652 0.322623 0.076871 ] [ 0.392588 0.777348 0.62818 ] [ 0.407652 0.677377 0.576871 ] [ 0.78274 0.380759 0.109278 ] [ 0.135427 0.379415 0.819125 ] [ 0.688513 0.596078 0.543181 ] [ 0.620391 0.849618 0.321606 ] [ 0.592348 0.677377 0.923129 ] [ 0.607412 0.222652 0.37182 ] [ 0.607412 0.777348 0.87182 ] [ 0.592348 0.322623 0.423129 ] [ 0.21726 0.619241 0.890722 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Au" "Au" "Au" "Au" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.8080324023 "source-unit" "angstrom" } "b" { "source-value" 10.7219074584 "source-unit" "angstrom" } "c" { "source-value" 8.03130649152 "source-unit" "angstrom" } "beta" { "source-value" 91.8380226605 "source-unit" "degree" } }