Ce GTH-PBE-q12
    4    6    1    1
     0.52480035    2    18.46313266    -0.35928475
    4
     0.52899318    2    -0.46945550     1.68519941
                                       -2.17558308
     0.47758674    2    -0.85915259     1.49893178
                                       -1.77356000
     0.65909303    1     0.10742047
     0.30186583    1   -17.66735258
