Fe GTH-PBE-q16
    4    6    6
     0.36000000    2     6.75678916    -0.22883251
    3
     0.27826303    2     0.62950570     7.91313242
                                      -10.21581002
     0.25138338    2    -7.93213293     7.69707888
                                       -9.10730654
     0.22285578    1   -12.38579937
