{ "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" [ [ 0.298679 0.590696 0.935299 ] [ 0.416631 0.116981 0.847891 ] [ 0.798679 0.909304 0.935299 ] [ 0.107139 0.336278 0.631546 ] [ 0.916631 0.383019 0.847891 ] [ 0.208394 0.827451 0.580175 ] [ 0.607139 0.163722 0.631546 ] [ 0.291606 0.327451 0.419825 ] [ 0.708394 0.672549 0.580175 ] [ 0.392861 0.836278 0.368454 ] [ 0.791606 0.172549 0.419825 ] [ 0.083369 0.616981 0.152109 ] [ 0.892861 0.663722 0.368454 ] [ 0.201321 0.090696 0.064701 ] [ 0.583369 0.883019 0.152109 ] [ 0.701321 0.409304 0.064701 ] [ 0.009235 0.873069 0.758855 ] [ 0.509235 0.626931 0.758855 ] [ 0.490765 0.373069 0.241145 ] [ 0.990765 0.126931 0.241145 ] [ 0.021382 0.775895 0.894345 ] [ 0.140935 0.998684 0.779753 ] [ 0.521382 0.724105 0.894345 ] [ 0.381008 0.486622 0.705101 ] [ 0.640935 0.501316 0.779753 ] [ 0.494953 0.800787 0.655058 ] [ 0.881008 0.013378 0.705101 ] [ 0.005047 0.300787 0.344942 ] [ 0.994953 0.699213 0.655058 ] [ 0.118992 0.986622 0.294899 ] [ 0.505047 0.199213 0.344942 ] [ 0.359065 0.498684 0.220247 ] [ 0.618992 0.513378 0.294899 ] [ 0.478618 0.275895 0.105655 ] [ 0.859065 0.001316 0.220247 ] [ 0.978618 0.224105 0.105655 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Si" "Si" "Si" "Si" "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" 11.37783552 "source-unit" "angstrom" } "b" { "source-value" 7.08369578 "source-unit" "angstrom" } "c" { "source-value" 11.5705522 "source-unit" "angstrom" } "beta" { "source-value" 111.492744 "source-unit" "degree" } }