Mo GTH-PADE-q6 GTH-LDA-q6
    1    0    5
     0.69900000    1     7.99586821
    3
     0.67812595    2     1.28960728    -0.38656751
                                        0.99811301
     0.80077140    2     0.30141226    -0.31338933
                                        0.74161451
     0.45338393    2    -2.80970771     3.00775463
                                       -6.82094635
