Md GTH-PBE-q41
    6   12   10   13
     0.21750000    2   164.84178560   -17.72713303
    4
     0.16451875    3    15.18118318    24.04917018   -19.32054140
                                      -62.47220814    49.88542339
                                                     -39.59532730
     0.20313527    3     5.79843419     5.63524451    -5.47750817
                                      -15.78692695    12.96215013
                                                      -9.21226895
     0.42748516    2     2.72674274    -1.79169651
                                        2.03159289
     0.21769826    1    -0.55790731
