Lu GTH-PBE-q25
    4    6    1   14
     0.49611621    2    18.63208417    -1.51663710
    4
     0.39319895    2    -5.65573977     6.47885270
                                       -8.36416287
     0.41028936    2    -4.66078088     2.84645630
                                       -3.36797252
     0.43890201    1    -1.52277808
     0.23494399    1   -32.20596727
