{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.221427 0.75 0.425915 ] [ 0.778573 0.25 0.574085 ] [ 0.29434 0.75 0.955353 ] [ 0.70566 0.25 0.044647 ] [ 0.718053 0.75 0.793869 ] [ 0.281947 0.25 0.206131 ] [ 0.893122 0.75 0.064793 ] [ 0.106878 0.25 0.935207 ] [ 0.925222 0.75 0.637208 ] [ 0.074778 0.25 0.362792 ] [ 0.499759 0.00079 0.733601 ] [ 0.500241 0.50079 0.266399 ] [ 0.500241 0.99921 0.266399 ] [ 0.499759 0.49921 0.733601 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Zn" "Zn" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.36381137796 "source-unit" "angstrom" } "b" { "source-value" 7.63347928 "source-unit" "angstrom" } "c" { "source-value" 9.32637322865 "source-unit" "angstrom" } "beta" { "source-value" 108.870656741 "source-unit" "degree" } }