{ "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" [ [ 0.229816 0.75 0.082735 ] [ 0.756036 0.99689 0.265837 ] [ 0.756036 0.50311 0.265837 ] [ 0.243964 0.49689 0.734163 ] [ 0.243964 0.00311 0.734163 ] [ 0.770184 0.25 0.917265 ] [ 0.227453 0.25 0.354887 ] [ 0.772547 0.75 0.645113 ] [ 0.307085 0.75 0.418747 ] [ 0.692915 0.25 0.581253 ] [ 0.282735 0.25 0.059972 ] [ 0.717265 0.75 0.940028 ] [ 0.750838 0.75 0.082856 ] [ 0.077863 0.25 0.140034 ] [ 0.507078 0.25 0.123901 ] [ 0.230381 0.938233 0.319034 ] [ 0.230381 0.561767 0.319034 ] [ 0.607684 0.75 0.444547 ] [ 0.821407 0.25 0.432941 ] [ 0.178593 0.75 0.567059 ] [ 0.392316 0.25 0.555453 ] [ 0.769619 0.438233 0.680966 ] [ 0.769619 0.061767 0.680966 ] [ 0.492922 0.75 0.876099 ] [ 0.922137 0.75 0.859966 ] [ 0.249162 0.25 0.917144 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "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" 5.21882693 "source-unit" "angstrom" } "b" { "source-value" 6.54550174 "source-unit" "angstrom" } "c" { "source-value" 9.04125839 "source-unit" "angstrom" } "beta" { "source-value" 92.71826229 "source-unit" "degree" } }