{ "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" [ [ 0.089922 0 0.367214 ] [ 0.5 0 0.5 ] [ 0.910078 0 0.632786 ] [ 0.589922 0.5 0.367214 ] [ 0 0.5 0.5 ] [ 0.410078 0.5 0.632786 ] [ 0.327061 0 0.756075 ] [ 0.672939 0 0.243925 ] [ 0.827061 0.5 0.756075 ] [ 0.172939 0.5 0.243925 ] [ 0.205307 0 0.13911 ] [ 0.794693 0 0.86089 ] [ 0.705307 0.5 0.13911 ] [ 0.294693 0.5 0.86089 ] [ 0.86149 0 0.376969 ] [ 0.917819 0.694158 0.630463 ] [ 0.082181 0.305842 0.369537 ] [ 0.917819 0.305842 0.630463 ] [ 0.082181 0.694158 0.369537 ] [ 0.13851 0 0.623031 ] [ 0.36149 0.5 0.376969 ] [ 0.417819 0.194158 0.630463 ] [ 0.582181 0.805842 0.369537 ] [ 0.417819 0.805842 0.630463 ] [ 0.582181 0.194158 0.369537 ] [ 0.63851 0.5 0.623031 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Br" "Br" "Br" "Br" "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" 9.57441677687 "source-unit" "angstrom" } "b" { "source-value" 6.31271102417 "source-unit" "angstrom" } "c" { "source-value" 8.36721997789 "source-unit" "angstrom" } "beta" { "source-value" 104.634224723 "source-unit" "degree" } }