{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.784869 0.75 ] [ 0 0.215131 0.25 ] [ 0.514061 0.885293 0.855727 ] [ 0.485939 0.885293 0.644273 ] [ 0.514061 0.114707 0.355727 ] [ 0.485939 0.114707 0.144273 ] [ 0.171699 0.16214 0.972248 ] [ 0.171699 0.83786 0.472248 ] [ 0.5 0.390222 0.75 ] [ 0.5 0.609778 0.25 ] [ 0.828301 0.16214 0.527752 ] [ 0.828301 0.83786 0.027752 ] [ 0.270023 0.367863 0.538681 ] [ 0.270023 0.632137 0.038681 ] [ 0.729977 0.367863 0.961319 ] [ 0.729977 0.632137 0.461319 ] [ 0.022163 0.29745 0.91418 ] [ 0.022163 0.70255 0.41418 ] [ 0.252999 0.958425 0.933181 ] [ 0.252999 0.041575 0.433181 ] [ 0.24011 0.752244 0.566891 ] [ 0.24011 0.247756 0.066891 ] [ 0.396792 0.244318 0.674458 ] [ 0.396792 0.755682 0.174458 ] [ 0.5 0.629278 0.75 ] [ 0.5 0.370722 0.25 ] [ 0.603208 0.244318 0.825542 ] [ 0.603208 0.755682 0.325542 ] [ 0.75989 0.752244 0.933109 ] [ 0.75989 0.247756 0.433109 ] [ 0.747001 0.958425 0.566819 ] [ 0.747001 0.041575 0.066819 ] [ 0.977837 0.29745 0.58582 ] [ 0.977837 0.70255 0.08582 ] ] } "species" { "source-value" [ "Rb" "Rb" "Li" "Li" "Li" "Li" "B" "B" "B" "B" "B" "B" "Sb" "Sb" "Sb" "Sb" "O" "O" "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" 6.38121066 "source-unit" "angstrom" } "b" { "source-value" 5.62402602 "source-unit" "angstrom" } "c" { "source-value" 13.13650803 "source-unit" "angstrom" } "beta" { "source-value" 92.42598698 "source-unit" "degree" } }