{ "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" [ [ 0.634106 0.856952 0.185073 ] [ 0.134106 0.643048 0.185073 ] [ 0.365894 0.143048 0.814927 ] [ 0.865894 0.356952 0.814927 ] [ 0.125838 0.125515 0.222204 ] [ 0.874162 0.874485 0.777796 ] [ 0.625838 0.374485 0.222204 ] [ 0.374162 0.625515 0.777796 ] [ 0.638562 0.22375 0.445344 ] [ 0.361438 0.77625 0.554656 ] [ 0.138562 0.27625 0.445344 ] [ 0.861438 0.72375 0.554656 ] [ 0.46867 0.500026 0.226181 ] [ 0.112814 0.260418 0.071665 ] [ 0.03133 0.000026 0.773819 ] [ 0.28888 0.009209 0.206629 ] [ 0.387186 0.760418 0.928335 ] [ 0.21112 0.509209 0.793371 ] [ 0.96867 0.999974 0.226181 ] [ 0.53133 0.499974 0.773819 ] [ 0.71112 0.990791 0.793371 ] [ 0.78888 0.490791 0.206629 ] [ 0.887186 0.739582 0.928335 ] [ 0.612814 0.239582 0.071665 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cr" "Cr" "Cr" "Cr" "Cl" "Cl" "Cl" "Cl" "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" 8.25631128671 "source-unit" "angstrom" } "b" { "source-value" 7.76475259 "source-unit" "angstrom" } "c" { "source-value" 8.28627976905 "source-unit" "angstrom" } "beta" { "source-value" 90.7057864938 "source-unit" "degree" } }