{ "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" [ [ 0.230899 0.482691 0.218119 ] [ 0.769101 0.982691 0.781881 ] [ 0.783779 0.767602 0.365653 ] [ 0.216221 0.267602 0.634347 ] [ 0.722939 0.26197 0.417384 ] [ 0.277061 0.76197 0.582616 ] [ 0.726278 0.732837 0.073905 ] [ 0.273722 0.232837 0.926095 ] [ 0.310717 0.249996 0.056613 ] [ 0.942176 0.733641 0.133959 ] [ 0.53582 0.717344 0.156354 ] [ 0.806651 0.086816 0.329303 ] [ 0.851375 0.43593 0.348366 ] [ 0.189626 0.74076 0.424138 ] [ 0.441472 0.288263 0.417923 ] [ 0.558528 0.788263 0.582077 ] [ 0.810374 0.24076 0.575862 ] [ 0.148625 0.93593 0.651634 ] [ 0.193349 0.586816 0.670697 ] [ 0.46418 0.217344 0.843646 ] [ 0.057824 0.233641 0.866041 ] [ 0.689283 0.749996 0.943387 ] ] } "species" { "source-value" [ "Na" "Na" "Bi" "Bi" "P" "P" "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" 5.45206202 "source-unit" "angstrom" } "b" { "source-value" 6.97531866 "source-unit" "angstrom" } "c" { "source-value" 9.49423575 "source-unit" "angstrom" } "beta" { "source-value" 90.99491783 "source-unit" "degree" } }