{ "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" [ [ 0.209963 0.750513 0.059901 ] [ 0.790037 0.250513 0.440099 ] [ 0.790037 0.249487 0.940099 ] [ 0.209963 0.749487 0.559901 ] [ 0.317235 0.063828 0.217667 ] [ 0.682765 0.563828 0.282333 ] [ 0.682765 0.936172 0.782333 ] [ 0.317235 0.436172 0.717667 ] [ 0.221052 0.329482 0.164039 ] [ 0.099564 0.070844 0.750911 ] [ 0.900436 0.570844 0.749089 ] [ 0.900436 0.929156 0.249089 ] [ 0.221052 0.170518 0.664039 ] [ 0.778948 0.670518 0.835961 ] [ 0.778948 0.829482 0.335961 ] [ 0.099564 0.429156 0.250911 ] [ 0.476871 0.151623 0.643924 ] [ 0.476871 0.348377 0.143924 ] [ 0.523129 0.848377 0.356076 ] [ 0.523129 0.651623 0.856076 ] [ 0.230878 0.550846 0.320005 ] [ 0.769122 0.050846 0.179995 ] [ 0.769122 0.449154 0.679995 ] [ 0.230878 0.949154 0.820005 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "N" "N" "N" "N" "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" 5.14674927392 "source-unit" "angstrom" } "b" { "source-value" 9.29750764 "source-unit" "angstrom" } "c" { "source-value" 6.25666317612 "source-unit" "angstrom" } "beta" { "source-value" 98.4668224654 "source-unit" "degree" } }