{ "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" [ [ 0.759512 0.25 0.070237 ] [ 0.249307 0.007952 0.248176 ] [ 0.249307 0.492048 0.248176 ] [ 0.750693 0.507952 0.751824 ] [ 0.750693 0.992048 0.751824 ] [ 0.240488 0.75 0.929763 ] [ 0.73595 0.75 0.066258 ] [ 0.26405 0.25 0.933742 ] [ 0.777972 0.75 0.345412 ] [ 0.222028 0.25 0.654588 ] [ 0.719297 0.25 0.400036 ] [ 0.280703 0.75 0.599964 ] [ 0.269911 0.25 0.076686 ] [ 0.959557 0.75 0.154254 ] [ 0.529115 0.75 0.151703 ] [ 0.82268 0.07371 0.316408 ] [ 0.82268 0.42629 0.316408 ] [ 0.43939 0.25 0.390411 ] [ 0.187821 0.75 0.43751 ] [ 0.812179 0.25 0.56249 ] [ 0.56061 0.75 0.609589 ] [ 0.17732 0.57371 0.683592 ] [ 0.17732 0.92629 0.683592 ] [ 0.470885 0.25 0.848297 ] [ 0.040443 0.25 0.845746 ] [ 0.730089 0.75 0.923314 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "B" "B" "Sb" "Sb" "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" 5.4719543 "source-unit" "angstrom" } "b" { "source-value" 6.95117019 "source-unit" "angstrom" } "c" { "source-value" 9.31852843 "source-unit" "angstrom" } "beta" { "source-value" 92.9377135 "source-unit" "degree" } }