{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.82678 0.095387 0.763487 ] [ 0.67322 0.595387 0.236513 ] [ 0.17322 0.904613 0.236513 ] [ 0.32678 0.404613 0.763487 ] [ 0.708491 0.059326 0.356349 ] [ 0.791509 0.559326 0.643651 ] [ 0.208491 0.440674 0.356349 ] [ 0.291509 0.940674 0.643651 ] [ 0.189123 0.13954 0.969768 ] [ 0.689123 0.36046 0.969768 ] [ 0.310877 0.63954 0.030232 ] [ 0.810877 0.86046 0.030232 ] [ 0.967923 0.427903 0.721264 ] [ 0.467923 0.072097 0.721264 ] [ 0.887383 0.942142 0.344182 ] [ 0.195308 0.246113 0.281171 ] [ 0.204159 0.41241 0.507493 ] [ 0.112617 0.057858 0.655818 ] [ 0.612617 0.442142 0.655818 ] [ 0.695308 0.253887 0.281171 ] [ 0.295841 0.91241 0.492507 ] [ 0.795841 0.58759 0.492507 ] [ 0.387383 0.557858 0.344182 ] [ 0.032077 0.572097 0.278736 ] [ 0.532077 0.927903 0.278736 ] [ 0.704159 0.08759 0.507493 ] [ 0.304692 0.746113 0.718829 ] [ 0.804692 0.753887 0.718829 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.88483903315 "source-unit" "angstrom" } "b" { "source-value" 6.63951049 "source-unit" "angstrom" } "c" { "source-value" 9.54909196097 "source-unit" "angstrom" } "beta" { "source-value" 105.065106928 "source-unit" "degree" } }