     100
 i =        0, time =        0.000, E =     -1179.0300227656
 Si         0.0048384001       -0.0030076052       -0.0008983071
 Si         0.0017268651       -0.0013269495       -0.0015415485
 Si        -0.0012235486       -0.0021396863       -0.0031319221
 Si         0.0062540557       -0.0045835127        0.0021964916
 Si         0.0058243552       -0.0023735260        0.0008262571
 Si         0.0019849177       -0.0022492908        0.0042391132
 Si         0.0000441267       -0.0022048391        0.0026357667
 Si        -0.0046734410       -0.0036608102       -0.0023994670
 Si        -0.0035599254        0.0029336165       -0.0029462850
 Si        -0.0006086915        0.0062663965       -0.0020702007
 Si        -0.0013065454        0.0051080890       -0.0021376114
 Si         0.0023061196       -0.0010690421        0.0038539394
 Si         0.0000579832        0.0011135301       -0.0037803948
 Si        -0.0021966942       -0.0007750972        0.0028083261
 Si        -0.0003958669        0.0055483462        0.0000951774
 Si         0.0061166916        0.0018271954        0.0008978346
  O        -0.0003132799       -0.0060544794        0.0046363164
  O        -0.0013097991        0.0017000397        0.0015705182
  O         0.0024126981        0.0000843495       -0.0008468787
  O        -0.0027104004        0.0037020145        0.0020283777
  O         0.0024725854       -0.0005027018        0.0085851889
  O        -0.0046555151        0.0000649219       -0.0017607355
  O         0.0061137447        0.0000955769       -0.0023458154
  O        -0.0114858107       -0.0010762302        0.0006527985
  O        -0.0043774185        0.0033022412       -0.0026278025
  O         0.0061667592        0.0041381002        0.0053992450
  O         0.0022007162       -0.0063185757        0.0019912407
  O         0.0014679307        0.0002320169        0.0001087536
  O        -0.0069052411       -0.0009658809        0.0025101242
  O        -0.0052649974        0.0001412514       -0.0016109857
  O        -0.0003583729        0.0052726973        0.0038171705
  O        -0.0028183549        0.0024450891        0.0041762661
  O         0.0085060040        0.0046594167        0.0049699634
  O         0.0014421414       -0.0039167147       -0.0030466718
  O         0.0078474374        0.0029099625       -0.0028004638
  O        -0.0051374700       -0.0045676010        0.0006428263
  O        -0.0071184398        0.0033951929       -0.0019332350
  O        -0.0019299071        0.0073537000        0.0021587612
  O         0.0001089614       -0.0012866483       -0.0002228728
  O        -0.0061442249       -0.0002672658        0.0005263910
  O         0.0007747458        0.0004902590       -0.0066757936
  O        -0.0021125952       -0.0044871533       -0.0023572547
  O        -0.0022819287       -0.0019937548       -0.0017382959
  O         0.0011234655       -0.0026634703       -0.0004415544
  O        -0.0068450828       -0.0069125733       -0.0003766336
  O        -0.0011040926       -0.0022033562       -0.0041150166
  O         0.0025333691        0.0010044261       -0.0085576451
  O         0.0019881406        0.0060236017       -0.0000905290
 Si        -0.0048220680       -0.0008853207       -0.0012854786
 Si         0.0019986710       -0.0016371089        0.0009089576
 Si         0.0017859287       -0.0002664637       -0.0002571438
 Si         0.0035531978       -0.0032732341        0.0034849733
 Si         0.0016558744        0.0064733357        0.0030497241
 Si         0.0002046498        0.0002649092        0.0005916950
 Si        -0.0048723499       -0.0009817163       -0.0054292728
 Si        -0.0026119241       -0.0030479059       -0.0007706739
 Si         0.0038653670       -0.0007459556       -0.0018102974
 Si         0.0056145643       -0.0015543606        0.0040825129
 Si         0.0006830860       -0.0004834309        0.0042217611
 Si         0.0009788161       -0.0015226278       -0.0012802166
 Si        -0.0015572450        0.0020716707        0.0032751422
 Si         0.0015177488       -0.0035113812        0.0003019078
 Si        -0.0005956764        0.0004565665       -0.0012964234
 Si         0.0031386993       -0.0026306545        0.0023559996
  O        -0.0038935410        0.0037385158       -0.0057751728
  O         0.0004698312       -0.0035748596        0.0054046296
  O        -0.0030795505        0.0030610807        0.0051041667
  O         0.0051185604        0.0028916911        0.0065658335
  O         0.0021216453        0.0008952330        0.0006485097
  O         0.0041317624        0.0011431605       -0.0097863480
  O         0.0030092645        0.0038226756        0.0091730721
  O        -0.0003570259       -0.0039425575       -0.0022541140
  O         0.0025382203       -0.0074031346        0.0026270714
  O        -0.0027222830        0.0057845779       -0.0034324531
  O        -0.0035646829       -0.0026140121       -0.0020510208
  O        -0.0032941998       -0.0077195684       -0.0016566127
  O        -0.0040586105       -0.0062267273        0.0075057803
  O        -0.0025185273        0.0002481262       -0.0061608860
  O         0.0015301917       -0.0013800887       -0.0049979006
  O         0.0007294476        0.0083796836       -0.0023958364
  O        -0.0021384154        0.0034543663        0.0079073203
  O        -0.0080643101        0.0015921950       -0.0042432081
  O        -0.0006540178       -0.0073539412       -0.0002889638
  O        -0.0025905556        0.0047410694        0.0034088999
  O        -0.0042892403       -0.0017677377       -0.0023150205
  O        -0.0016713511        0.0019121528        0.0038862156
  O        -0.0005430609        0.0064376118       -0.0007797906
  O         0.0034410993       -0.0033832674        0.0023791638
  O         0.0069419724        0.0045220957       -0.0044777425
  O        -0.0011404536        0.0023032726       -0.0012080380
  O        -0.0027972931       -0.0002168475       -0.0045099471
  O         0.0019348090        0.0005585527        0.0001688650
  O        -0.0015539040        0.0000154328       -0.0082575502
  O        -0.0014413112        0.0026326979       -0.0040579119
  O        -0.0043729807        0.0007881898        0.0053727205
  O         0.0014879412        0.0008731136       -0.0010350340
  C         0.0037192786        0.0022280351       -0.0071599794
  C         0.0018549676        0.0033031074       -0.0043223684
  C        -0.0003718221        0.0028018999       -0.0001331337
  C        -0.0000806686       -0.0045765316        0.0007920774