{ "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" [ [ 0.349191 0.331972 0.926824 ] [ 0.95213 0.620259 0.844254 ] [ 0.376398 0.821755 0.805655 ] [ 0.623602 0.321755 0.694345 ] [ 0.04787 0.120259 0.655746 ] [ 0.650809 0.831972 0.573176 ] [ 0.349191 0.168028 0.426824 ] [ 0.95213 0.879741 0.344254 ] [ 0.376398 0.678245 0.305655 ] [ 0.623602 0.178245 0.194345 ] [ 0.04787 0.379741 0.155746 ] [ 0.650809 0.668028 0.073176 ] [ 0.848558 0.08147 0.935149 ] [ 0.151442 0.58147 0.564851 ] [ 0.848558 0.41853 0.435149 ] [ 0.151442 0.91853 0.064851 ] [ 0.759246 0.326053 0.95807 ] [ 0.09565 0.054383 0.914873 ] [ 0.712838 0.949214 0.815829 ] [ 0.287162 0.449214 0.684171 ] [ 0.90435 0.554383 0.585127 ] [ 0.240754 0.826053 0.54193 ] [ 0.759246 0.173947 0.45807 ] [ 0.09565 0.445617 0.414873 ] [ 0.712838 0.550786 0.315829 ] [ 0.287162 0.050786 0.184171 ] [ 0.90435 0.945617 0.085127 ] [ 0.240754 0.673947 0.04193 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Sc" "Sc" "Sc" "Sc" "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" 8.21137728 "source-unit" "angstrom" } "b" { "source-value" 7.41480653 "source-unit" "angstrom" } "c" { "source-value" 11.92277037 "source-unit" "angstrom" } "beta" { "source-value" 96.28956578 "source-unit" "degree" } }