{ "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" [ [ 0.729023 0.565708 0.749275 ] [ 0.270977 0.065708 0.750725 ] [ 0.270977 0.434292 0.250725 ] [ 0.729023 0.934292 0.249275 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.238968 0.134207 0.031196 ] [ 0.238968 0.365793 0.531196 ] [ 0.761032 0.865793 0.968804 ] [ 0.761032 0.634207 0.468804 ] [ 0.829898 0.298761 0.461642 ] [ 0.170102 0.798761 0.038358 ] [ 0.170102 0.701239 0.538358 ] [ 0.829898 0.201239 0.961642 ] [ 0.100863 0.019474 0.169742 ] [ 0.899137 0.519474 0.330258 ] [ 0.899137 0.980526 0.830258 ] [ 0.100863 0.480526 0.669742 ] [ 0.165518 0.034024 0.276285 ] [ 0.834482 0.534024 0.223715 ] [ 0.834482 0.965976 0.723715 ] [ 0.165518 0.465976 0.776285 ] [ 0.7214 0.173831 0.436971 ] [ 0.7214 0.326169 0.936971 ] [ 0.2786 0.826169 0.563029 ] [ 0.2786 0.673831 0.063029 ] [ 0.389938 0.21805 0.052306 ] [ 0.610062 0.71805 0.447694 ] [ 0.610062 0.78195 0.947694 ] [ 0.389938 0.28195 0.552306 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Na" "Na" "Co" "Co" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.34243384 "source-unit" "angstrom" } "b" { "source-value" 7.72976647 "source-unit" "angstrom" } "c" { "source-value" 12.86335254 "source-unit" "angstrom" } "beta" { "source-value" 124.34151952 "source-unit" "degree" } }