## Time[ps]   Etot[eV]   Epot[eV]   Ekin[eV]   <Etot>   <Edelta>   <Temp[K]>
     5.0000      -80.5042664     -85.4876627       4.9833964     -80.5041934    2.5798 1047.1017
    10.0000      -80.5016519     -85.5044245       5.0027726     -80.5040210    2.5799 1033.4294
    15.0000      -80.5042839     -86.1342301       5.6299462     -80.5037244    2.5799 1012.9776
    20.0000      -80.5079205     -85.6468975       5.1389770     -80.5039527    2.5799 1014.6687
    25.0000      -80.5073085     -84.9677618       4.4604534     -80.5039644    2.5799 1004.6480
    30.0000      -80.5118509     -85.9626129       5.4507620     -80.5038472    2.5799 1008.3488
    35.0000      -80.5024622     -85.6660785       5.1636163     -80.5039392    2.5799 1056.2151
    40.0000      -80.5026612     -85.2085626       4.7059014     -80.5040574    2.5799 1045.3621
    45.0000      -80.5028884     -85.7190317       5.2161433     -80.5037982    2.5799 1006.3282
    50.0000      -80.5081555     -86.9019002       6.3937447     -80.5037415    2.5799 1008.9682
    55.0000      -92.1432780     -92.1535327       0.0102547     -91.5364433    1.5863   14.9212
    60.0000      -92.5085171     -92.5092870       0.0007699     -92.4186838    1.5068    1.4163
    65.0000      -92.5906746     -92.5906746       0.0000000     -92.5775511    1.4925    0.3704
    70.0000      -92.5906747     -92.5906747       0.0000000     -92.5906747    1.4913    0.0000