{ "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" [ [ 0.737721 0.75 0.244075 ] [ 0.262279 0.25 0.755925 ] [ 0.75269 0.25 0.498915 ] [ 0.24731 0.75 0.501085 ] [ 0.80488 0.75 0.876349 ] [ 0.19512 0.25 0.123651 ] [ 0.689727 0.25 0.999285 ] [ 0.25181 0.25 0.366219 ] [ 0.74819 0.75 0.633781 ] [ 0.310273 0.75 0.000715 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sb" "Sb" "Sb" "Sb" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.99508179169 "source-unit" "angstrom" } "b" { "source-value" 4.87505712 "source-unit" "angstrom" } "c" { "source-value" 11.3046527362 "source-unit" "angstrom" } "beta" { "source-value" 91.2425094557 "source-unit" "degree" } }