Pt GTH-PBE-q18
    3    6    9
     0.50000000    2     8.81432324    -0.29250943
    3
     0.29800221    3    -5.96838498    24.21289966   -13.78967932
                                      -53.68763413    35.60479890
                                                     -28.26043301
     0.36017182    3    -6.66865904     7.17065922     0.76690370
                                       -7.20766072    -1.81482538
                                                       1.28980604
     0.34053206    2    -8.58990455     9.41012200
                                      -10.67007542
