{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.537966 0.283863 0.668352 ] [ 0.962034 0.783863 0.831648 ] [ 0.462034 0.716137 0.331648 ] [ 0.037966 0.216137 0.168352 ] [ 0.382427 0.384321 0.814524 ] [ 0.117573 0.884321 0.685476 ] [ 0.617573 0.615679 0.185476 ] [ 0.882427 0.115679 0.314524 ] [ 0.197456 0.311733 0.022813 ] [ 0.302544 0.811733 0.477187 ] [ 0.712982 0.216839 0.050637 ] [ 0.787018 0.716839 0.449363 ] [ 0.287018 0.783161 0.949363 ] [ 0.212982 0.283161 0.550637 ] [ 0.354152 0.207491 0.281441 ] [ 0.145848 0.707491 0.218559 ] [ 0.645848 0.792509 0.718559 ] [ 0.854152 0.292509 0.781441 ] [ 0.697456 0.188267 0.522813 ] [ 0.802544 0.688267 0.977187 ] ] } "species" { "source-value" [ "Ni" "Ni" "Au" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.57088493105 "source-unit" "angstrom" } "b" { "source-value" 5.69835226 "source-unit" "angstrom" } "c" { "source-value" 10.5083871726 "source-unit" "angstrom" } "beta" { "source-value" 100.412505263 "source-unit" "degree" } }