{ "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" [ [ 0.242341 0.464498 0.249965 ] [ 0.757659 0.535502 0.750035 ] [ 0.757659 0.964498 0.250035 ] [ 0.242341 0.035502 0.749965 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.209499 0.005845 0.171043 ] [ 0.120892 0.198834 0.979338 ] [ 0.209499 0.494155 0.671043 ] [ 0.879108 0.698834 0.520662 ] [ 0.790501 0.505845 0.328957 ] [ 0.183717 0.858631 0.983136 ] [ 0.120892 0.301166 0.479338 ] [ 0.790501 0.994155 0.828957 ] [ 0.816283 0.141369 0.016864 ] [ 0.879108 0.801166 0.020662 ] [ 0.183717 0.641369 0.483136 ] [ 0.816283 0.358631 0.516864 ] [ 0.805438 0.676027 0.034795 ] [ 0.342002 0.488031 0.777912 ] [ 0.700882 0.270966 0.528071 ] [ 0.299118 0.770966 0.971929 ] [ 0.299118 0.729034 0.471929 ] [ 0.194562 0.176027 0.465205 ] [ 0.657998 0.511969 0.222088 ] [ 0.342002 0.011969 0.277912 ] [ 0.194562 0.323973 0.965205 ] [ 0.700882 0.229034 0.028071 ] [ 0.805438 0.823973 0.534795 ] [ 0.657998 0.988031 0.722088 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "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" 7.58328805 "source-unit" "angstrom" } "b" { "source-value" 7.68256346 "source-unit" "angstrom" } "c" { "source-value" 13.23972803 "source-unit" "angstrom" } "beta" { "source-value" 124.95788163 "source-unit" "degree" } }