{ "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" [ [ 0.477991 0.070805 0.750487 ] [ 0.022009 0.570805 0.749513 ] [ 0.522009 0.929195 0.249513 ] [ 0.977991 0.429195 0.250487 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.929287 0.980619 0.827888 ] [ 0.570713 0.480619 0.672112 ] [ 0.070713 0.019381 0.172112 ] [ 0.429287 0.519381 0.327888 ] [ 0.213605 0.866584 0.967818 ] [ 0.286395 0.366584 0.532182 ] [ 0.786395 0.133416 0.032182 ] [ 0.713605 0.633416 0.467818 ] [ 0.868595 0.794732 0.038988 ] [ 0.631405 0.294732 0.461012 ] [ 0.131405 0.205268 0.961012 ] [ 0.368595 0.705268 0.538988 ] [ 0.886982 0.966193 0.721487 ] [ 0.613018 0.466193 0.778513 ] [ 0.113018 0.033807 0.278513 ] [ 0.386982 0.533807 0.221487 ] [ 0.344454 0.783741 0.946655 ] [ 0.155546 0.283741 0.553345 ] [ 0.655546 0.216259 0.053345 ] [ 0.844454 0.716259 0.446655 ] [ 0.786435 0.669235 0.063647 ] [ 0.713565 0.169235 0.436353 ] [ 0.213565 0.330765 0.936353 ] [ 0.286435 0.830765 0.563647 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Na" "Na" "Fe" "Fe" "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" 7.32193161248 "source-unit" "angstrom" } "b" { "source-value" 7.78492363 "source-unit" "angstrom" } "c" { "source-value" 10.6488127398 "source-unit" "angstrom" } "beta" { "source-value" 90.4237950685 "source-unit" "degree" } }