{ "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" [ [ 0.237301 0.75 0.079424 ] [ 0.744912 0.99334 0.260016 ] [ 0.744912 0.50666 0.260016 ] [ 0.255088 0.49334 0.739984 ] [ 0.255088 0.00666 0.739984 ] [ 0.762699 0.25 0.920576 ] [ 0.215927 0.25 0.339188 ] [ 0.784073 0.75 0.660812 ] [ 0.268089 0.25 0.066827 ] [ 0.731911 0.75 0.933173 ] [ 0.285008 0.75 0.417255 ] [ 0.714992 0.25 0.582745 ] [ 0.705959 0.75 0.084034 ] [ 0.029944 0.25 0.140297 ] [ 0.471774 0.25 0.176263 ] [ 0.223945 0.927479 0.319776 ] [ 0.223945 0.572521 0.319776 ] [ 0.581551 0.75 0.463822 ] [ 0.86741 0.25 0.432475 ] [ 0.13259 0.75 0.567525 ] [ 0.418449 0.25 0.536178 ] [ 0.776055 0.427479 0.680224 ] [ 0.776055 0.072521 0.680224 ] [ 0.528226 0.75 0.823737 ] [ 0.970056 0.75 0.859703 ] [ 0.294041 0.25 0.915966 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "B" "B" "P" "P" "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" 5.17361614 "source-unit" "angstrom" } "b" { "source-value" 7.04060173 "source-unit" "angstrom" } "c" { "source-value" 8.79249893 "source-unit" "angstrom" } "beta" { "source-value" 91.56633961 "source-unit" "degree" } }