{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.242819 0.009513 0.216382 ] [ 0.242819 0.490487 0.216382 ] [ 0.757181 0.509513 0.783618 ] [ 0.757181 0.990487 0.783618 ] [ 0.777409 0.75 0.37374 ] [ 0.222591 0.25 0.62626 ] [ 0.708395 0.25 0.425714 ] [ 0.291605 0.75 0.574286 ] [ 0.728525 0.75 0.088282 ] [ 0.271475 0.25 0.911718 ] [ 0.2988 0.25 0.035935 ] [ 0.932899 0.75 0.150236 ] [ 0.552329 0.75 0.167941 ] [ 0.784808 0.07623 0.353297 ] [ 0.784808 0.42377 0.353297 ] [ 0.183235 0.75 0.428813 ] [ 0.439314 0.25 0.433407 ] [ 0.560686 0.75 0.566593 ] [ 0.816765 0.25 0.571187 ] [ 0.215192 0.57623 0.646703 ] [ 0.215192 0.92377 0.646703 ] [ 0.447671 0.25 0.832059 ] [ 0.067101 0.25 0.849764 ] [ 0.7012 0.75 0.964065 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ce" "Ce" "P" "P" "C" "C" "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" 5.8120154 "source-unit" "angstrom" } "b" { "source-value" 7.39265863 "source-unit" "angstrom" } "c" { "source-value" 10.0952218 "source-unit" "angstrom" } "beta" { "source-value" 92.45187279 "source-unit" "degree" } }