Kr GTH-PBE-q8
    2    6
     0.50000000    0
    3
     0.42165717    3     6.46530358     0.53866049    -1.50260118
                                       -3.13938870     3.87969957
                                                      -3.07941607
     0.43374437    2     2.60116535     0.70510978
                                       -0.83429715
     0.52469073    1     0.63559472
