{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.077523 0.508627 0.727059 ] [ 0.075243 0.212314 0.017284 ] [ 0.127533 0.193365 0.469286 ] [ 0.372467 0.693365 0.530714 ] [ 0.424757 0.712314 0.982716 ] [ 0.422477 0.008627 0.272941 ] [ 0.577523 0.991373 0.727059 ] [ 0.575243 0.287686 0.017284 ] [ 0.627533 0.306635 0.469286 ] [ 0.872467 0.806635 0.530714 ] [ 0.924757 0.787686 0.982716 ] [ 0.922477 0.491373 0.272941 ] [ 0.102071 0.605117 0.488123 ] [ 0.066755 0.316213 0.248714 ] [ 0.352372 0.589165 0.768922 ] [ 0.147628 0.089165 0.231078 ] [ 0.433245 0.816213 0.751286 ] [ 0.397929 0.105117 0.511877 ] [ 0.602071 0.894883 0.488123 ] [ 0.566755 0.183787 0.248714 ] [ 0.852372 0.910835 0.768922 ] [ 0.647628 0.410835 0.231078 ] [ 0.933245 0.683787 0.751286 ] [ 0.897929 0.394883 0.511877 ] [ 0.204759 0.863818 0.996624 ] [ 0.208448 0.852214 0.430126 ] [ 0.129383 0.622917 0.056556 ] [ 0.370617 0.122917 0.943444 ] [ 0.291552 0.352214 0.569874 ] [ 0.295241 0.363818 0.003376 ] [ 0.704759 0.636182 0.996624 ] [ 0.708448 0.647786 0.430126 ] [ 0.629383 0.877083 0.056556 ] [ 0.870617 0.377083 0.943444 ] [ 0.791552 0.147786 0.569874 ] [ 0.795241 0.136182 0.003376 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.66316929 "source-unit" "angstrom" } "b" { "source-value" 10.98215619 "source-unit" "angstrom" } "c" { "source-value" 7.91746525 "source-unit" "angstrom" } "beta" { "source-value" 98.50742027 "source-unit" "degree" } }