{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.928077 0.917104 0.003847 ] [ 0.418778 0.750834 0.002164 ] [ 0.928077 0.082896 0.503847 ] [ 0.918778 0.749166 0.502164 ] [ 0.428077 0.417104 0.003847 ] [ 0.918778 0.250834 0.002164 ] [ 0.428077 0.582896 0.503847 ] [ 0.418778 0.249166 0.502164 ] [ 0.412817 0.088155 0.993418 ] [ 0.412817 0.911845 0.493418 ] [ 0.912817 0.588155 0.993418 ] [ 0.912817 0.411845 0.493418 ] [ 0.039646 0.085287 0.877538 ] [ 0.047677 0.751877 0.875581 ] [ 0.554313 0.087724 0.383189 ] [ 0.554313 0.912276 0.883189 ] [ 0.547677 0.748123 0.375581 ] [ 0.039646 0.914713 0.377538 ] [ 0.539646 0.585287 0.877538 ] [ 0.547677 0.251877 0.875581 ] [ 0.054313 0.587724 0.383189 ] [ 0.054313 0.412276 0.883189 ] [ 0.047677 0.248123 0.375581 ] [ 0.539646 0.414713 0.377538 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Ge" "Ge" "Ge" "Ge" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.86880638 "source-unit" "angstrom" } "b" { "source-value" 11.92816453 "source-unit" "angstrom" } "c" { "source-value" 6.90553992 "source-unit" "angstrom" } "beta" { "source-value" 109.40469732 "source-unit" "degree" } }