Dy GTH-PBE-q20
    4    6    0   10
     0.51029687    2    17.67093508    -0.86787770
    4
     0.44212348    2    -2.71573384     4.01788426
                                       -5.18706627
     0.45017230    2    -2.77347535     2.20115245
                                       -2.60443870
     0.47116514    1    -0.75227561
     0.26180741    1   -24.24856414
