{ "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" [ [ 0.238779 0.75 0.086719 ] [ 0.747471 0.994658 0.261316 ] [ 0.747471 0.505342 0.261316 ] [ 0.252529 0.494658 0.738684 ] [ 0.252529 0.005342 0.738684 ] [ 0.761221 0.25 0.913281 ] [ 0.208532 0.25 0.358346 ] [ 0.791468 0.75 0.641654 ] [ 0.296308 0.75 0.418675 ] [ 0.703692 0.25 0.581325 ] [ 0.265212 0.25 0.062084 ] [ 0.734788 0.75 0.937916 ] [ 0.711714 0.75 0.0795 ] [ 0.039589 0.25 0.123141 ] [ 0.466256 0.25 0.148272 ] [ 0.225642 0.950034 0.317019 ] [ 0.225642 0.549966 0.317019 ] [ 0.610046 0.75 0.45252 ] [ 0.85327 0.25 0.42249 ] [ 0.14673 0.75 0.57751 ] [ 0.389954 0.25 0.54748 ] [ 0.774358 0.450034 0.682981 ] [ 0.774358 0.049966 0.682981 ] [ 0.533744 0.75 0.851728 ] [ 0.960411 0.75 0.876859 ] [ 0.288286 0.25 0.9205 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Si" "Si" "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" 5.21998572 "source-unit" "angstrom" } "b" { "source-value" 6.59851866 "source-unit" "angstrom" } "c" { "source-value" 9.04898048 "source-unit" "angstrom" } "beta" { "source-value" 90.42916377 "source-unit" "degree" } }