Pu GTH-PBE-q16
    4    6    0    6
     0.47000000    2    47.05386065    -3.39784374
    4
     0.46598786    3    -2.27131898     1.35504929     0.56822623
                                       -0.82514108    -1.46715381
                                                       1.16451723
     0.37095949    3     2.12604787    -4.53511193     2.01122399
                                        8.71439802    -4.75942465
                                                       3.38254838
     0.67138733    2     0.41632791     0.42152676
                                       -0.47796642
     0.31645669    1   -17.04937375
