Ir GTH-PBE-q17
    4    6    7
     0.51000000    2    13.41080576    -2.34194822
    3
     0.38726411    3    -2.51628491     1.05519006     4.67505628
                                        6.24173509   -12.07094340
                                                       9.58101430
     0.34608307    2    -6.52615069     7.35318392
                                       -8.70040455
     0.37881290    2    -0.85595250    -1.17535111
                                        1.33272289
