{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.767272 0.517437 0.23055 ] [ 0.232728 0.017437 0.76945 ] [ 0.207352 0.23716 0.35206 ] [ 0.792648 0.73716 0.64794 ] [ 0.277765 0.746433 0.428441 ] [ 0.722235 0.246433 0.571559 ] [ 0.27554 0.254244 0.082434 ] [ 0.72446 0.754244 0.917566 ] [ 0.692529 0.748472 0.04961 ] [ 0.057503 0.251335 0.134213 ] [ 0.458997 0.26139 0.177384 ] [ 0.212366 0.948827 0.32255 ] [ 0.198784 0.542184 0.325904 ] [ 0.86657 0.259709 0.41161 ] [ 0.594565 0.734961 0.470213 ] [ 0.405435 0.234961 0.529787 ] [ 0.13343 0.759709 0.58839 ] [ 0.801216 0.042184 0.674096 ] [ 0.787634 0.448827 0.67745 ] [ 0.541003 0.76139 0.822616 ] [ 0.942497 0.751335 0.865787 ] [ 0.307471 0.248472 0.95039 ] ] } "species" { "source-value" [ "Na" "Na" "Fe" "Fe" "As" "As" "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" 5.39750267 "source-unit" "angstrom" } "b" { "source-value" 6.68170509 "source-unit" "angstrom" } "c" { "source-value" 9.35208895 "source-unit" "angstrom" } "beta" { "source-value" 92.65990359 "source-unit" "degree" } }