As GTH-PBE-q5
    2    3
     0.52000000    0
    3
     0.45554957    3     5.52067327     0.03512220    -1.06108239
                                       -1.77119320     2.73970295
                                                      -2.17457180
     0.55460557    2     1.02179156     0.62920826
                                       -0.74448925
     0.70368872    1     0.31479504
