{ "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" [ [ 0.013053 0.867577 0.728966 ] [ 0.486947 0.367577 0.271034 ] [ 0.986947 0.132423 0.271034 ] [ 0.513053 0.632423 0.728966 ] [ 0.492483 0.132225 0.784824 ] [ 0.007517 0.632225 0.215176 ] [ 0.507517 0.867775 0.215176 ] [ 0.992483 0.367775 0.784824 ] [ 0.786356 0.425351 0.017958 ] [ 0.713644 0.925351 0.982042 ] [ 0.213644 0.574649 0.982042 ] [ 0.286356 0.074649 0.017958 ] [ 0.750831 0.16928 0.58914 ] [ 0.749169 0.66928 0.41086 ] [ 0.249169 0.83072 0.41086 ] [ 0.250831 0.33072 0.58914 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Au" "Au" "Au" "Au" "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" 6.86324136992 "source-unit" "angstrom" } "b" { "source-value" 8.59504751 "source-unit" "angstrom" } "c" { "source-value" 7.13350123544 "source-unit" "angstrom" } "beta" { "source-value" 105.28653145 "source-unit" "degree" } }