Mo GTH-PBE-q14
    3    6    5
     0.43000000    2    28.60936832    -4.72180336
    3
     0.34521579    2     0.14630305     2.76200500
                                       -3.56573312
     0.41688762    2    -0.19078495    -0.72874402
                                        0.86226156
     0.42050785    2     1.21681419    -2.68646267
                                        3.04616234
