Ba GTH-PBE-q10
    4    6
     0.54000000    2    24.52678070    -2.46867001
    4
     0.49206839    2     0.09515093     1.16931840
                                       -1.50958357
     0.39148930    2     0.80018261    -1.61683907
                                        1.91306979
     0.67217348    1     0.38853100
     0.30049773    1   -19.65379452
