{ "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" [ [ 0.449571 0.857745 0.148151 ] [ 0.050429 0.357745 0.851849 ] [ 0.550429 0.142255 0.851849 ] [ 0.949571 0.642255 0.148151 ] [ 0.309646 0.577227 0.343434 ] [ 0.190354 0.077227 0.656566 ] [ 0.690354 0.422773 0.656566 ] [ 0.809646 0.922773 0.343434 ] [ 0.464921 0.804817 0.604238 ] [ 0.035079 0.304817 0.395762 ] [ 0.535079 0.195183 0.395762 ] [ 0.964921 0.695183 0.604238 ] [ 0.354626 0.617084 0.875178 ] [ 0.145374 0.117084 0.124822 ] [ 0.645374 0.382916 0.124822 ] [ 0.854626 0.882916 0.875178 ] [ 0.119794 0.79908 0.426865 ] [ 0.380206 0.29908 0.573135 ] [ 0.880206 0.20092 0.573135 ] [ 0.619794 0.70092 0.426865 ] [ 0.230309 0.565832 0.601714 ] [ 0.269691 0.065832 0.398286 ] [ 0.769691 0.434168 0.398286 ] [ 0.730309 0.934168 0.601714 ] [ 0.137438 0.874124 0.896684 ] [ 0.362562 0.374124 0.103316 ] [ 0.862562 0.125876 0.103316 ] [ 0.637438 0.625876 0.896684 ] [ 0.313565 0.133212 0.929353 ] [ 0.186435 0.633212 0.070647 ] [ 0.686435 0.866788 0.070647 ] [ 0.813565 0.366788 0.929353 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.2246995705 "source-unit" "angstrom" } "b" { "source-value" 7.65941571 "source-unit" "angstrom" } "c" { "source-value" 15.1475997767 "source-unit" "angstrom" } "beta" { "source-value" 113.217881912 "source-unit" "degree" } }