{ "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" [ [ 0.476091 0.072962 0.751343 ] [ 0.023909 0.572962 0.748657 ] [ 0.523909 0.927038 0.248657 ] [ 0.976091 0.427038 0.251343 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.927559 0.97937 0.824274 ] [ 0.572441 0.47937 0.675726 ] [ 0.072441 0.02063 0.175726 ] [ 0.427559 0.52063 0.324274 ] [ 0.21734 0.862729 0.965721 ] [ 0.28266 0.362729 0.534279 ] [ 0.78266 0.137271 0.034279 ] [ 0.71734 0.637271 0.465721 ] [ 0.86699 0.790711 0.041772 ] [ 0.63301 0.290711 0.458228 ] [ 0.13301 0.209289 0.958228 ] [ 0.36699 0.709289 0.541772 ] [ 0.885328 0.964779 0.718815 ] [ 0.614672 0.464779 0.781185 ] [ 0.114672 0.035221 0.281185 ] [ 0.385328 0.535221 0.218815 ] [ 0.347113 0.780047 0.94427 ] [ 0.152887 0.280047 0.55573 ] [ 0.652887 0.219953 0.05573 ] [ 0.847113 0.719953 0.44427 ] [ 0.785325 0.666864 0.067153 ] [ 0.714675 0.166864 0.432847 ] [ 0.214675 0.333136 0.932847 ] [ 0.285325 0.833136 0.567153 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Na" "Na" "Mn" "Mn" "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" 7.33279210383 "source-unit" "angstrom" } "b" { "source-value" 7.8675074 "source-unit" "angstrom" } "c" { "source-value" 10.7591401001 "source-unit" "angstrom" } "beta" { "source-value" 90.7660705658 "source-unit" "degree" } }