H2O-32-1.ener 1.54 KB
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#     Step Nr.          Time[fs]        Kin.[a.u.]          Temp[K]            Pot.[a.u.]        Cons Qty[a.u.]        UsedTime[s]
         0            0.000000         0.007125335       300.000000000       -34.330396471       -34.323271136         0.000000000
3 4 5 6 7 8 9 10 11 12
         1            0.500000         0.006533348       275.075405378       -34.329778993       -34.323245645         4.509932898
         2            1.000000         0.005583688       235.091633019       -34.328790653       -34.323206964         1.747029864
         3            1.500000         0.004815598       202.752506973       -34.327998978       -34.323183380         1.775364981
         4            2.000000         0.004566544       192.266488819       -34.327754290       -34.323187747         1.743290058
         5            2.500000         0.004788928       201.629598676       -34.327997890       -34.323208962         1.722652494
         6            3.000000         0.005184860       218.299664775       -34.328412394       -34.323227533         1.726261713
         7            3.500000         0.005470470       230.324748557       -34.328704052       -34.323233583         1.125520098
         8            4.000000         0.005526692       232.691881533       -34.328757407       -34.323230715         1.758628617
         9            4.500000         0.005371243       226.146979313       -34.328598255       -34.323227013         1.736696822
        10            5.000000         0.005062914       213.165337396       -34.328287038       -34.323224123         1.731137692