## Time[ps]   Etot[eV]   Epot[eV]   Ekin[eV]   <Etot>   <Edelta>   <Temp[K]>
     5.0000     -121.1837997    -129.9341705       8.7503708    -121.1830117    3.0072 1262.8418
    10.0000     -121.1797075    -130.0044533       8.8247457    -121.1831462    3.0072 1276.1176
    15.0000     -121.1839960    -129.1961971       8.0122011    -121.1825443    3.0072 1199.9745
    20.0000     -121.1828416    -130.2781687       9.0953271    -121.1824861    3.0072 1213.7813
    25.0000     -121.1791256    -129.3709099       8.1917843    -121.1827533    3.0072 1233.9374
    30.0000     -121.1859462    -130.8619779       9.6760317    -121.1826282    3.0072 1217.7819
    35.0000     -121.1851574    -131.3118006      10.1266433    -121.1827690    3.0072 1256.6678
    40.0000     -121.1899407    -132.1679203      10.9779796    -121.1827258    3.0072 1199.1856
    45.0000     -121.1788645    -129.5902875       8.4114230    -121.1824670    3.0072 1239.8365
    50.0000     -121.1763409    -129.5068119       8.3304710    -121.1829930    3.0072 1260.9976
    55.0000     -142.0130817    -142.0156780       0.0025964    -141.2373038    1.6371   22.6868
    60.0000     -142.4888948    -142.4980038       0.0091090    -142.1147872    1.5772    1.3327
    65.0000     -142.8241184    -142.8248982       0.0007798    -142.6212276    1.5426    0.8723
    70.0000     -142.8706701    -142.8723194       0.0016493    -142.8509826    1.5269    0.1295
    75.0000     -142.9841397    -142.9841514       0.0000116    -142.9505963    1.5201    0.3186
    80.0000     -142.9843781    -142.9843807       0.0000026    -142.9843149    1.5178    0.0006
    85.0000     -142.9844142    -142.9844150       0.0000007    -142.9844010    1.5177    0.0001
    90.0000     -142.9844254    -142.9844255       0.0000001    -142.9844213    1.5177    0.0000
    95.0000     -142.9844286    -142.9844286       0.0000000    -142.9844274    1.5177    0.0000