H2O-32-vel-1.xyz 4.94 KB
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       6
 i =        0, time =        0.000, E =       -34.3303964710
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  H         0.0002340810       -0.0003388418        0.0011398583
       6
 i =        1, time =        0.500, E =       -34.3297789925
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  H         0.0009921617       -0.0002070555        0.0003772619
  H         0.0003887778       -0.0001963472        0.0009826628
       6
 i =        2, time =        1.000, E =       -34.3287906528
  O         0.0000434905       -0.0000119687       -0.0000365693
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  H         0.0005838315       -0.0000184903        0.0007860194
       6
 i =        3, time =        1.500, E =       -34.3279989781
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  H         0.0007905658        0.0001699508        0.0005825225
       6
 i =        4, time =        2.000, E =       -34.3277542904
  O         0.0000845891       -0.0000325375       -0.0000326914
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  H        -0.0008913015        0.0002002196       -0.0002204855
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       6
 i =        5, time =        2.500, E =       -34.3279978897
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  H         0.0011096310        0.0004764474        0.0002774328
       6
 i =        6, time =        3.000, E =       -34.3284123938
  O         0.0001292006       -0.0000447573       -0.0000155271
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       6
 i =        7, time =        3.500, E =       -34.3287040522
  O         0.0001467721       -0.0000466846       -0.0000049521
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  H        -0.0006174618        0.0001155138       -0.0000294422
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  H         0.0011570265        0.0005818906        0.0002236703
       6
 i =        8, time =        4.000, E =       -34.3287574070
  O         0.0001587484       -0.0000459771        0.0000049086
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  H         0.0010708523        0.0005511577        0.0002944065
       6
 i =        9, time =        4.500, E =       -34.3285982555
  O         0.0001635949       -0.0000430207        0.0000122940
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  H        -0.0001976950        0.0008695436        0.0009885390
  H         0.0009271520        0.0004738628        0.0004164474
       6
 i =       10, time =        5.000, E =       -34.3282870379
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  H         0.0000307926        0.0006886719        0.0008431321
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