{ "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" [ [ 0.10218 0.21004 0.312687 ] [ 0.141798 0.558524 0.369358 ] [ 0.60218 0.28996 0.812687 ] [ 0.89782 0.78996 0.687313 ] [ 0.358202 0.058524 0.130642 ] [ 0.39782 0.71004 0.187313 ] [ 0.641798 0.941476 0.869358 ] [ 0.858202 0.441476 0.630642 ] [ 0.771846 0.356193 0.497156 ] [ 0.000274 0.30956 0.645294 ] [ 0.228154 0.643807 0.502844 ] [ 0.728154 0.856193 0.002844 ] [ 0.14728 0.069007 0.419251 ] [ 0.64728 0.430993 0.919251 ] [ 0.566027 0.623577 0.240887 ] [ 0.999726 0.69044 0.354706 ] [ 0.499726 0.80956 0.854706 ] [ 0.85272 0.930993 0.580749 ] [ 0.433973 0.376423 0.759113 ] [ 0.271846 0.143807 0.997156 ] [ 0.35272 0.569007 0.080749 ] [ 0.066027 0.876423 0.740887 ] [ 0.500274 0.19044 0.145294 ] [ 0.933973 0.123577 0.259113 ] [ 0.48084 0.927434 0.325778 ] [ 0.98084 0.572566 0.825778 ] [ 0.01916 0.427434 0.174222 ] [ 0.336132 0.354026 0.394677 ] [ 0.51916 0.072566 0.674222 ] [ 0.163868 0.854026 0.105323 ] [ 0.836132 0.145974 0.894677 ] [ 0.663868 0.645974 0.605323 ] [ 0.332893 0.479633 0.013963 ] [ 0.667107 0.520367 0.986037 ] [ 0.587282 0.274302 0.151751 ] [ 0.832893 0.020367 0.513963 ] [ 0.218805 0.200756 0.915073 ] [ 0.781195 0.799244 0.084927 ] [ 0.912718 0.774302 0.348249 ] [ 0.087282 0.225698 0.651751 ] [ 0.281195 0.700756 0.584927 ] [ 0.328735 0.431262 0.727226 ] [ 0.412718 0.725698 0.848249 ] [ 0.718805 0.299244 0.415073 ] [ 0.167107 0.979633 0.486037 ] [ 0.171265 0.931262 0.772774 ] [ 0.828735 0.068738 0.227226 ] [ 0.671265 0.568738 0.272774 ] ] } "species" { "source-value" [ "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "I" "I" "I" "I" "I" "I" "I" "I" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.53865486577 "source-unit" "angstrom" } "b" { "source-value" 9.72047695 "source-unit" "angstrom" } "c" { "source-value" 11.4767671908 "source-unit" "angstrom" } "beta" { "source-value" 96.168925784 "source-unit" "degree" } }