{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.804042 0 0.557753 ] [ 0.195958 0 0.442247 ] [ 0.304042 0.5 0.557753 ] [ 0.695958 0.5 0.442247 ] [ 0.859351 0.309083 0.651216 ] [ 0.140649 0.309083 0.348784 ] [ 0.949854 0 0.268011 ] [ 0.050146 0 0.731989 ] [ 0.322817 0 0.160827 ] [ 0.677183 0 0.839173 ] [ 0.859351 0.690917 0.651216 ] [ 0.140649 0.690917 0.348784 ] [ 0.359351 0.809083 0.651216 ] [ 0.640649 0.809083 0.348784 ] [ 0.449854 0.5 0.268011 ] [ 0.550146 0.5 0.731989 ] [ 0.822817 0.5 0.160827 ] [ 0.177183 0.5 0.839173 ] [ 0.359351 0.190917 0.651216 ] [ 0.640649 0.190917 0.348784 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 11.3461278024 "source-unit" "angstrom" } "b" { "source-value" 8.88949783575 "source-unit" "angstrom" } "c" { "source-value" 7.65355483377 "source-unit" "angstrom" } "beta" { "source-value" 93.2130369401 "source-unit" "degree" } }