{ "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" [ [ 0.770115 0.120306 0.506841 ] [ 0.270115 0.379694 0.506841 ] [ 0.729885 0.620306 0.493159 ] [ 0.229885 0.879694 0.493159 ] [ 0.223331 0.62006 0.994257 ] [ 0.276669 0.12006 0.005743 ] [ 0.776669 0.37994 0.005743 ] [ 0.723331 0.87994 0.994257 ] [ 0.635958 0.879849 0.729679 ] [ 0.135958 0.620151 0.729679 ] [ 0.892319 0.63897 0.987814 ] [ 0.864042 0.379849 0.270321 ] [ 0.309422 0.634879 0.25834 ] [ 0.607681 0.13897 0.012186 ] [ 0.190578 0.134879 0.74166 ] [ 0.392319 0.86103 0.987814 ] [ 0.809422 0.865121 0.25834 ] [ 0.690578 0.365121 0.74166 ] [ 0.107681 0.36103 0.012186 ] [ 0.5 0.5 0 ] [ 0.364042 0.120151 0.270321 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "U" "U" "U" "U" "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" 7.00726219532 "source-unit" "angstrom" } "b" { "source-value" 8.11459798 "source-unit" "angstrom" } "c" { "source-value" 7.51339073296 "source-unit" "angstrom" } "beta" { "source-value" 108.277373879 "source-unit" "degree" } }