Cd GTH-PBE-q12
    2    0   10
     0.55000000    1     3.63395858
    3
     0.49127900    3    10.11138228    -6.50695409     1.80457679
                                       11.33558598    -4.65939724
                                                       3.69828191
     0.59970999    2     4.00148729    -1.88393578
                                        2.22910288
     0.37787256    2    -6.13703223     1.53571055
                                       -1.74133209
