{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.097943 0.985016 0.515615 ] [ 0.0889 0.172857 0.445591 ] [ 0.386811 0.475663 0.464158 ] [ 0.402756 0.650312 0.577224 ] [ 0.886811 0.524337 0.464158 ] [ 0.902756 0.349688 0.577224 ] [ 0.597943 0.014984 0.515615 ] [ 0.5889 0.827143 0.445591 ] [ 0.73051 0.086886 0.250203 ] [ 0.381314 0.929008 0.915609 ] [ 0.489301 0.195312 0.130281 ] [ 0.10706 0.431626 0.092232 ] [ 0.777238 0.576755 0.77535 ] [ 0.019432 0.688739 0.855778 ] [ 0.519432 0.311261 0.855778 ] [ 0.277238 0.423245 0.77535 ] [ 0.60706 0.568374 0.092232 ] [ 0.23051 0.913114 0.250203 ] [ 0.989301 0.804688 0.130281 ] [ 0.881314 0.070992 0.915609 ] [ 0.712295 0.649405 0.214335 ] [ 0.765598 0.160496 0.81131 ] [ 0.265598 0.839504 0.81131 ] [ 0.212294 0.350595 0.214335 ] [ 0.999199 0.088288 0.492931 ] [ 0.500239 0.569123 0.532848 ] [ 0.000239 0.430877 0.532848 ] [ 0.499199 0.911712 0.492931 ] [ 0.574375 0.089286 0.126797 ] [ 0.922328 0.606994 0.901908 ] [ 0.422328 0.393006 0.901908 ] [ 0.074375 0.910714 0.126797 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "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" 5.8237812762 "source-unit" "angstrom" } "b" { "source-value" 7.91417282 "source-unit" "angstrom" } "c" { "source-value" 6.92911295818 "source-unit" "angstrom" } "beta" { "source-value" 111.979649279 "source-unit" "degree" } }