      70
 i =      475, time =      237.500, E =      -201.9954094198
 Al        -4.9961170209        0.7219319610        5.5703736497
 Al        12.3745018447        0.7922606889        6.2974936423
 Al        14.1961855797       -1.5449740556        5.1797862454
 Al         7.8121135361        1.2821326679        1.3117960492
 Al         0.2452027265      -19.1611078413       -3.4514443823
 Al         3.1829163760      -16.2509160802      -15.7035427249
 Al         3.3344395688       -2.5623710177        3.7857200337
 Al        15.9866774025       -2.1016057376        1.3619756597
 Al       -10.6885629823      -10.3020319914        0.8704529054
 Al        -5.8856537399       -2.8707959673        7.2584900467
 Al         3.4412302466        0.4914648855       -1.1324390912
 Al         0.3463479686       11.0462100546        8.8047522727
 Al        -1.6998669386        3.2594334736       -1.2694994236
 Al         3.0878337950        1.4029141795        3.5589710948
 Al         0.2770526060        4.1990983818        1.3692981933
 Al        -4.2397585589        2.6390472477        4.3989632883
 Al       -11.2615609816        1.6737763507        5.6592625590
 Al        -2.5343192329       -4.0900542210      -13.9924811746
 Al         5.4190225919       -7.5040645141      -10.1062439089
 Al        18.4694304401       -2.1453256697        8.0008765890
 Al        -0.2502399924       -2.5904222611        0.1590458672
 Al         5.1597215293        2.9363354332        6.7230616894
 Al        -4.7016503966        4.5490714393        2.8678647649
 Al         1.3305025263       -1.6363549168        2.2581834614
 Al         6.5007006640        8.4477989604       -1.3291124025
 Al        -8.8326140395       -4.3534690467       -1.8819572666
 Al        -7.4362280727       15.4032787130        5.7443037298
 Al         2.4214947518        2.3494741638       -1.7255138494
 Al         8.2100819830       -5.9292152774       -9.0344603879
 Al         7.5414960633      -16.0243468963        2.9187409625
 Al        16.2402172611       -4.1802069066       20.7116320291
 Al         3.7602954308       -6.2899929468       -9.4345548954
 Al        11.5847952478        6.3126345310       10.9264886481
 Al         3.9404442408       -1.9458677070       -8.8085828810
 Al         7.9898576878      -18.9754757033        8.6308275877
 Al        11.8730353903      -11.3980444040       -2.4736913269
 Al        12.0967112896        3.3993048359        2.0252522218
 Al         8.1498885517       -4.3255572154        7.9455807043
 Al         6.0736400039        5.9361148478       17.5807196238
 Al         0.9644172725        0.5978578864        0.8384721787
 Al        10.2054242885        5.4491195591        4.5306598100
 Al        10.1066935344       -1.3653129218        4.9593743190
 Al         3.0060058679        5.2023395178        9.3016366099
 Al        10.7620516658        1.0556690374        4.0493411643
 Al         4.3755038844        8.2848642691      -10.9431850791
 Al         9.4671321798       12.4153147872        3.1661330773
 Al        -4.1065693064       10.7962682447      -12.0519207023
 Al        -2.2807797263       -6.5510669748       -3.3789178042
 Al        18.0249521307      -12.0857372922       14.5940167370
 Al         6.4053195660        8.2978289741      -13.7802067492
 Al        10.1649155602       -6.5423876427        9.2679208855
 Al         7.2655258105        6.3256119921       -7.0030370818
 Al         9.1520615393        5.8239561321        2.2349566541
 Al         6.7150184273       -9.7837929576        4.0587171580
 Al        10.0555876966        6.8389892043       -3.3230124968
 Al         5.4521634930       -4.0981761805        4.9018880687
  C         6.0278704551        3.1029712386        3.0017072851
  O         3.9505461890       -4.3406368191        7.8035819680
  O         6.7888206070        0.8741423936        2.6625745180
  C         4.1479323818        0.7623082735        2.2270928136
  O         1.5494518534       -1.8377249849        3.7654461441
  O         6.3667041443        1.7515743384        0.7729582567
 Al         9.7058667012        3.3557045187        5.1100031788
 Al        -6.9710455640        0.4973061973       11.0343021390
 Al        13.5011451941        4.1357697593        7.3791813426
 Al         1.6632009418       12.7242178166       -3.8215259036
 Al         8.5712630663        8.4261656539       12.4675090977
 Al         5.5674312690        1.7113148921        2.0887868906
 Al         4.6403885233       -0.7366174871        2.8297522704
 Al         2.7075449775       -4.4322263624       13.0498854576
      70
 i =      476, time =      238.000, E =      -202.5806427112
 Al        -5.0541100693        0.7326180584        5.6376049624
 Al        12.5330876390        0.7951092849        6.3753070772
 Al        14.3737589754       -1.5636365969        5.2443749499
 Al         7.9030927619        1.2982532706        1.3276916554
 Al         0.2481192369      -19.4001261984       -3.4901421997
 Al         3.2157550065      -16.4517294244      -15.9006443513
 Al         3.3765261229       -2.5925331362        3.8308745818
 Al        16.1818872147       -2.1268361246        1.3775376609
 Al       -10.8233602340      -10.4252736203        0.8776875382
 Al        -5.9590147970       -2.8946594675        7.3434102507
 Al         3.4868902389        0.5020691750       -1.1470116874
 Al         0.3451806027       11.1882011919        8.9132071545
 Al        -1.7224262798        3.2980621111       -1.2847483726
 Al         3.1302341502        1.4207054926        3.6034912721
 Al         0.2803802795        4.2545226360        1.3867922400
 Al        -4.2929272890        2.6755123101        4.4587747328
 Al       -11.3978360394        1.6808645100        5.7331821682
 Al        -2.5626742458       -4.1438062795      -14.1643302365
 Al         5.4804986447       -7.5968646308      -10.2325829021
 Al        18.6977308973       -2.1703502885        8.0964508076
 Al        -0.2519854800       -2.6215608210        0.1630674934
 Al         5.2311584557        2.9744132027        6.8006105845
 Al        -4.7636108446        4.6101094108        2.9038348889
 Al         1.3450473766       -1.6579631609        2.2681271915
 Al         6.5807229854        8.5503837304       -1.3389989104
 Al        -8.9419705466       -4.4117374530       -1.8996840798
 Al        -7.5302721795       15.5917697289        5.8136443602
 Al         2.4443144077        2.3707420588       -1.7508988249
 Al         8.3117456800       -5.9999727060       -9.1437595004
 Al         7.6372884345      -16.2195405055        2.9507312422
 Al        16.4358295922       -4.2389031331       20.9666836327
 Al         3.8052800123       -6.3656795820       -9.5426928096
 Al        11.7284443068        6.3918365688       11.0640541366
 Al         3.9856313612       -1.9702000840       -8.9194985999
 Al         8.0865307015      -19.2102816207        8.7371089756
 Al        12.0248583366      -11.5413795899       -2.5071751887
 Al        12.2438419125        3.4384168286        2.0462993799
 Al         8.2509672010       -4.3817377440        8.0416475264
 Al         6.1465895607        6.0050552208       17.8041920605
 Al         0.9806627364        0.6043096617        0.8450255830
 Al        10.3291427773        5.5194975583        4.5825866372
 Al        10.2287507622       -1.3826285947        5.0211346056
 Al         3.0422637568        5.2737379177        9.4165538605
 Al        10.9008804593        1.0746357194        4.1034588817
 Al         4.4237023492        8.3898961318      -11.0730560593
 Al         9.5813135115       12.5664352663        3.1975091737
 Al        -4.1546260903       10.9288930410      -12.1969517412
 Al        -2.3108155601       -6.6284928291       -3.4213660715
 Al        18.2501965604      -12.2332908599       14.7746049379
 Al         6.4877118909        8.4028947972      -13.9478244518
 Al        10.2931979685       -6.6248043985        9.3805763827
 Al         7.3551019644        6.4041721636       -7.0773023554
 Al         9.2668633482        5.8988736838        2.2628352038
 Al         6.7986144767       -9.9134232711        4.1123616894
 Al        10.1846268164        6.9233107615       -3.3637131164
 Al         5.5174865828       -4.1358378960        4.9611702960
  C         6.1225327594        3.1221902765        3.0333751250
  O         3.9950855730       -4.4012623236        7.9035283101
  O         6.8805509529        0.8802715185        2.6922047146
  C         4.2063503683        0.7811292138        2.2635699476
  O         1.5542576712       -1.8689078942        3.8278459510
  O         6.4476735955        1.7769229585        0.7746164928
 Al         9.8234227164        3.3995702979        5.1704388352
 Al        -7.0584817751        0.5025410276       11.1651627777
 Al        13.6731650506        4.1774623522        7.4745017132
 Al         1.6904844054       12.8825917420       -3.8664325415
 Al         8.6784840639        8.5274616040       12.6230452985
 Al         5.6284416177        1.7320113311        2.1179281210
 Al         4.6975149957       -0.7449419317        2.8643302645
 Al         2.7448266469       -4.4825674538       13.2057075112
      70
 i =      477, time =      238.500, E =      -203.8862060162
 Al        -5.2372440913        0.7614388523        5.8443027451
 Al        13.0021439667        0.8173492784        6.6108492461
 Al        14.9071477472       -1.6208089373        5.4391160662
 Al         8.1900736779        1.3466013445        1.3766123295
 Al         0.2572009810      -20.1196038750       -3.6150286805
 Al         3.3283008011      -17.0596284328      -16.4908373680
 Al         3.5019548792       -2.6867317479        3.9706365125
 Al        16.7778634848       -2.2042576664        1.4271596703
 Al       -11.2262693458      -10.8067116391        0.9062360422
 Al        -6.1799794177       -2.9900094828        7.6095001630
 Al         3.6188619495        0.5250918720       -1.1899484943
 Al         0.3525893663       11.6069545547        9.2418827159
 Al        -1.7879435935        3.4181231853       -1.3318737649
 Al         3.2501727025        1.4733902255        3.7372456076
 Al         0.2912588871        4.4152771705        1.4387993001
 Al        -4.4525836393        2.7779797213        4.6299834125
 Al       -11.8165939653        1.7289825286        5.9487372654
 Al        -2.6539906642       -4.3003642549      -14.6868066592
 Al         5.6773968626       -7.8774663256      -10.6129912877
 Al        19.3888548557       -2.2487047030        8.3924642277
 Al        -0.2599154064       -2.7176791170        0.1711385215
 Al         5.4324404535        3.0860486006        7.0463295130
 Al        -4.9437311770        4.7855678247        3.0114772106
 Al         1.3927943523       -1.7203283246        2.3336452579
 Al         6.8238926116        8.8647453122       -1.3820103718
 Al        -9.2726404290       -4.5794627156       -1.9641397141
 Al        -7.8106913236       16.1662063740        6.0267940574
 Al         2.5275569686        2.4508681461       -1.8194529979
 Al         8.6185977993       -6.2192330938       -9.4796488676
 Al         7.9225514738      -16.8159842259        3.0559236810
 Al        17.0380983555       -4.4029712394       21.7402349223
 Al         3.9446313866       -6.5991383900       -9.8869170214
 Al        12.1625126556        6.6291489172       11.4754242885
 Al         4.1290649488       -2.0435502848       -9.2511495000
 Al         8.3832132371      -19.9207528730        9.0595700146
 Al        12.4742553050      -11.9702935172       -2.6026914285
 Al        12.6938816363        3.5624318733        2.1178401427
 Al         8.5566563130       -4.5466109713        8.3369749296
 Al         6.3713592417        6.2226498937       18.4685700265
 Al         1.0210427134        0.6258473920        0.8727907401
 Al        10.7084900004        5.7266694162        4.7477515117
 Al        10.6043708337       -1.4339882014        5.2070361604
 Al         3.1536148296        5.4761273688        9.7646471929
 Al        11.3095209853        1.1199712205        4.2591376764
 Al         4.5812951368        8.7028651888      -11.4767635899
 Al         9.9326457051       13.0284864044        3.3075810385
 Al        -4.3053972537       11.3318237095      -12.6437361555
 Al        -2.3983823274       -6.8695803723       -3.5485605715
 Al        18.9270599726      -12.6836465455       15.3209000417
 Al         6.7307693287        8.7160746472      -14.4604156720
 Al        10.6766773609       -6.8710102515        9.7253001358
 Al         7.6264054967        6.6413169407       -7.3262434538
 Al         9.6113416630        6.1200110340        2.3467905575
 Al         7.0506678389      -10.2885802124        4.2681342791
 Al        10.5657725935        7.1790492092       -3.4878435457
 Al         5.7188857517       -4.2758251606        5.1431561942
  C         6.3684893750        3.2191126344        3.1387502511
  O         4.1391499261       -4.5698775310        8.2000017602
  O         7.1433734773        0.9076900760        2.7886179009
  C         4.3688220999        0.8196535869        2.3564831386
  O         1.5977471139       -1.9463814209        3.9859165894
  O         6.6887570775        1.8460599583        0.7949564695
 Al        10.1840200857        3.5278990550        5.3589839157
 Al        -7.3202974463        0.5201424814       11.5722729511
 Al        14.1832279284        4.3216993303        7.7544821601
 Al         1.7598545165       13.3600568964       -4.0069601823
 Al         9.0004480464        8.8397114233       13.0912874029
 Al         5.8282250300        1.7957721055        2.1997716003
 Al         4.8711309122       -0.7719913441        2.9699741167
 Al         2.8498821449       -4.6440012951       13.6882506852
      70
 i =      478, time =      239.000, E =      -204.8356610460
 Al        -5.4588427917        0.7958576296        6.0938269988
 Al        13.5667789085        0.8453833902        6.8948579706
 Al        15.5499859210       -1.6897630240        5.6740438389
 Al         8.5373857050        1.4048954515        1.4357820955
 Al         0.2681960928      -20.9869076968       -3.7663078455
 Al         3.4653583923      -17.7926151466      -17.2016478023
 Al         3.6528537555       -2.8005104816        4.1393741908
 Al        17.4971418359       -2.2975168253        1.4872420878
 Al       -11.7117120625      -11.2675535361        0.9411308080
 Al        -6.4463661874       -3.1072994413        7.9309916331
 Al         3.7773800315        0.5519460654       -1.2415996608
 Al         0.3626063484       12.1107446494        9.6380543067
 Al        -1.8668014370        3.5631281718       -1.3888291989
 Al         3.3940158725        1.5366700242        3.8984288875
 Al         0.3047731300        4.6084231034        1.5014988858
 Al        -4.6451077999        2.9006843530        4.8359032969
 Al       -12.3223419269        1.7893761063        6.2077408636
 Al        -2.7644302916       -4.4886639068      -15.3170607064
 Al         5.9157912389       -8.2156973636      -11.0718547938
 Al        20.2222565086       -2.3432810156        8.7501094927
 Al        -0.2697270198       -2.8338075596        0.1804616142
 Al         5.6738727440        3.2202708941        7.3436397671
 Al        -5.1602714255        4.9963055140        3.1410815648
 Al         1.4507179955       -1.7951217330        2.4160264693
 Al         7.1173321167        9.2442540353       -1.4351705773
 Al        -9.6713478939       -4.7809968257       -2.0428173984
 Al        -8.1484122069       16.8592793752        6.2841174795
 Al         2.6292748585        2.5491181682       -1.9012441149
 Al         8.9882628151       -6.4841271712       -9.8853385996
 Al         8.2662577696      -17.5356558435        3.1836730792
 Al        17.7652774135       -4.5996796225       22.6729936309
 Al         4.1130733186       -6.8811731244      -10.3036203483
 Al        12.6859132334        6.9150235909       11.9709696439
 Al         4.3024873774       -2.1320697238       -9.6506250954
 Al         8.7413026955      -20.7775333051        9.4484546575
 Al        13.0151244359      -12.4869703063       -2.7172973089
 Al        13.2369480136        3.7124466790        2.2048009668
 Al         8.9254190152       -4.7450280765        8.6936322604
 Al         6.6426427504        6.4859439126       19.2686070886
 Al         1.0688045282        0.6520559363        0.9071934768
 Al        11.1663882119        5.9759945759        4.9476361446
 Al        11.0581465402       -1.4957392818        5.4310229966
 Al         3.2879386573        5.7190302215       10.1844402744
 Al        11.8011386290        1.1733448701        4.4460498747
 Al         4.7724276986        9.0799226014      -11.9644943025
 Al        10.3568426853       13.5860448928        3.4415761882
 Al        -4.4876684906       11.8177559244      -13.1831945951
 Al        -2.5038058357       -7.1607666772       -3.7018221359
 Al        19.7426882197      -13.2270695429       15.9796180590
 Al         7.0232762665        9.0932948627      -15.0789365485
 Al        11.1388210967       -7.1674650737       10.1412774188
 Al         7.9534272405        6.9272411865       -7.6285973920
 Al        10.0265621490        6.3862249266        2.4480265148
 Al         7.3545794832      -10.7392964785        4.4554057774
 Al        11.0244773410        7.4875203466       -3.6376659931
 Al         5.9618867618       -4.4471362299        5.3627960790
  C         6.6608456980        3.3400928006        3.2662032865
  O         4.3140334907       -4.7712341796        8.5573253155
  O         7.4591527698        0.9414199343        2.9055978574
  C         4.5631157388        0.8643665795        2.4669876612
  O         1.6531467984       -2.0381059950        4.1736728819
  O         6.9792310885        1.9285775874        0.8208403198
 Al        10.6192780119        3.6823625125        5.5869624484
 Al        -7.6354740488        0.5415102837       12.0642769404
 Al        14.7970362187        4.4970241566        8.0910934565
 Al         1.8423361543       13.9357269696       -4.1768491671
 Al         9.3884000759        9.2167136118       13.6557784569
 Al         6.0704765051        1.8728314731        2.2979436004
 Al         5.0806656061       -0.8049012779        3.0975190165
 Al         2.9757217771       -4.8396393899       14.2711230372
      70
 i =      479, time =      239.500, E =      -205.3572858998
 Al        -5.7522476259        0.8407452592        6.4234502311
 Al        14.3098604314        0.8844371768        7.2694939155
 Al        16.3973040337       -1.7808533455        5.9837770380
 Al         8.9970749714        1.4817009215        1.5139592963
 Al         0.2827451585      -22.1302501001       -3.9670558736
 Al         3.6480852656      -18.7594361950      -18.1383374797
 Al         3.8515715421       -2.9510019707        4.3624486626
 Al        18.4465901379       -2.4207572402        1.5668929498
 Al       -12.3512201482      -11.8766395931        0.9882298539
 Al        -6.7975630173       -3.2655942465        8.3564855692
 Al         3.9855381432        0.5860258431       -1.3095612038
 Al         0.3774276880       12.7736227195       10.1607044143
 Al        -1.9703411127        3.7549073759       -1.4640790869
 Al         3.5824870374        1.6199986839        4.1108405431
 Al         0.3226718986        4.8621249242        1.5840198335
 Al        -4.8988285256        3.0614110837        5.1058426288
 Al       -12.9903092370        1.8731126886        6.5481979297
 Al        -2.9110037170       -4.7360864205      -16.1487063613
 Al         6.2319066828       -8.6618546806      -11.6766502723
 Al        21.3215273011       -2.4684941744        9.2228739516
 Al        -0.2830699318       -2.9872381074        0.1921393210
 Al         5.9900765327        3.3967671282        7.7374322128
 Al        -5.4446817384        5.2727603593        3.3118896537
 Al         1.5277056011       -1.8933879552        2.5302204856
 Al         7.5044886493        9.7453862533       -1.5072708434
 Al       -10.1972012761       -5.0455031066       -2.1482448476
 Al        -8.5932405601       17.7740064189        6.6240331171
 Al         2.7655634872        2.6810318628       -2.0079362543
 Al         9.4757526722       -6.8342800448      -10.4211606105
 Al         8.7188306961      -18.4858008226        3.3533480919
 Al        18.7259749795       -4.8570435504       23.9036470410
 Al         4.3356903545       -7.2537917788      -10.8558129767
 Al        13.3761491045        7.2917513356       12.6238495662
 Al         4.5322800488       -2.2487450972      -10.1769211347
 Al         9.2142532319      -21.9075687486        9.9615301521
 Al        13.7270413340      -13.1677386517       -2.8676232911
 Al        13.9539742197        3.9112063172        2.3206772889
 Al         9.4117123441       -5.0059374340        9.1647042158
 Al         7.0011110230        6.8345891158       20.3220318930
 Al         1.1304871328        0.6868743961        0.9537003195
 Al        11.7711062451        6.3039567305        5.2125266721
 Al        11.6575854812       -1.5770751926        5.7262969819
 Al         3.4653748422        6.0373091320       10.7381433689
 Al        12.4478726214        1.2419997329        4.6913719336
 Al         5.0263000441        9.5765094286      -12.6094255050
 Al        10.9172159235       14.3221663844        3.6206491246
 Al        -4.7289023856       12.4589595896      -13.8959094664
 Al        -2.6423199305       -7.5459150358       -3.9037867196
 Al        20.8177495191      -13.9443835553       16.8484189109
 Al         7.4081310441        9.5901105272      -15.8955982553
 Al        11.7475979207       -7.5579965378       10.6905152137
 Al         8.3848522887        7.3042508743       -8.0310981485
 Al        10.5737351897        6.7364922713        2.5814869730
 Al         7.7552610278      -11.3311554422        4.7012921365
 Al        11.6281290270        7.8944720653       -3.8353736242
 Al         6.2830410164       -4.6769539317        5.6528925821
  C         7.0402542468        3.5054574911        3.4361327257
  O         4.5459426875       -5.0346936495        9.0276017304
  O         7.8732809918        0.9873411113        3.0608699815
  C         4.8170703227        0.9204058417        2.6101320830
  O         1.7304865107       -2.1565192152        4.4163177541
  O         7.3615972241        2.0363258865        0.8574459042
 Al        11.1941316080        3.8853968908        5.8884764777
 Al        -8.0507021973        0.5699809366       12.7149464159
 Al        15.6051192494        4.7311126516        8.5338749710
 Al         1.9491368298       14.6947179557       -4.4016314593
 Al         9.8997312871        9.7148199563       14.3999188175
 Al         6.3924902557        1.9745816815        2.4264311242
 Al         5.3571301744       -0.8485091442        3.2658216966
 Al         3.1405625566       -5.0990316187       15.0415738209
      70
 i =      480, time =      240.000, E =      -205.3149902690
 Al        -6.0634471704        0.8882407548        6.7729195059
 Al        15.0972382722        0.9261550482        7.6666061867
 Al        17.2953808118       -1.8774096718        6.3121648803
 Al         9.4845505250        1.5630907477        1.5969228333
 Al         0.2982158162      -23.3420858982       -4.1800573782
 Al         3.8421383085      -19.7841711947      -19.1309401138
 Al         4.0620225046       -3.1105236773        4.5989501268
 Al        19.4531459590       -2.5513391226        1.6514083433
 Al       -13.0289692663      -12.5224926307        1.0382871257
 Al        -7.1698290792       -3.4341049736        8.8076360793
 Al         4.2060367364        0.6219230425       -1.3815705719
 Al         0.3934195132       13.4759270017       10.7145960890
 Al        -2.0800436925        3.9582625611       -1.5438951236
 Al         3.7820619328        1.7082297677        4.3359144580
 Al         0.3418443823        5.1308489747        1.6714924803
 Al        -5.1677902959        3.2315596821        5.3918483536
 Al       -13.6985496481        1.9624894539        6.9088099410
 Al        -3.0664367783       -4.9982328047      -17.0302723399
 Al         6.5672585137       -9.1347746482      -12.3177683446
 Al        22.4867080662       -2.6012439521        9.7242124669
 Al        -0.2972868905       -3.1499220111        0.2044207696
 Al         6.3249557366        3.5837449927        8.1550498887
 Al        -5.7459256706        5.5655076110        3.4928907725
 Al         1.6094285671       -1.9974429338        2.6522996628
 Al         7.9149315768       10.2766816340       -1.5840898580
 Al       -10.7545740937       -5.3256943814       -2.2602287152
 Al        -9.0646367913       18.7436785414        6.9843813910
 Al         2.9103802450        2.8213005743       -2.1208034516
 Al         9.9922944886       -7.2055553853      -10.9892918481
 Al         9.1984481381      -19.4930822752        3.5333820596
 Al        19.7445318312       -5.1295553003       25.2081115887
 Al         4.5717613517       -7.6489045461      -11.4415676571
 Al        14.1077627453        7.6909791556       13.3157270689
 Al         4.7759557680       -2.3724293678      -10.7346407254
 Al         9.7156330471      -23.1053940638       10.5053752864
 Al        14.4813830947      -13.8891733344       -3.0268271337
 Al        14.7140894060        4.1220309231        2.4436537414
 Al         9.9272165563       -5.2824090911        9.6641672990
 Al         7.3811341592        7.2044106801       21.4383182503
 Al         1.1955809577        0.7238114472        1.0032627974
 Al        12.4122096791        6.6514565386        5.4935003873
 Al        12.2932738875       -1.6632590637        6.0391735027
 Al         3.6534325385        6.3743896124       11.3250373359
 Al        13.1330841807        1.3144352027        4.9511735074
 Al         5.2956995869       10.1028063497      -13.2932429438
 Al        11.5113496148       15.1025187570        3.8107959357
 Al        -4.9847407446       13.1386571709      -14.6515123768
 Al        -2.7891165923       -7.9542714440       -4.1178104559
 Al        21.9570671691      -14.7047810209       17.7693038887
 Al         7.8158929745       10.1166006973      -16.7613373366
 Al        12.3927945471       -7.9717747580       11.2727427291
 Al         8.8420921079        7.7038511322       -8.4583128804
 Al        11.1536992562        7.1076407017        2.7229464118
 Al         8.1799517031      -11.9580019079        4.9616764544
 Al        12.2677479057        8.3258559937       -4.0449783020
 Al         6.6234844140       -4.9212095256        5.9604294804
  C         7.4410650400        3.6819322817        3.6165078459
  O         4.7920615065       -5.3133453821        9.5261083958
  O         8.3119131203        1.0362155627        3.2256456542
  C         5.0856131803        0.9791881633        2.7615712783
  O         1.8132272902       -2.2815204684        4.6725154504
  O         7.7667449133        2.1503017488        0.8967301720
 Al        11.8036006682        4.1005628751        6.2082518650
 Al        -8.4905478266        0.6002148942       13.4049790003
 Al        16.4613083479        4.9795859170        9.0029363550
 Al         2.0620367337       15.4992056752       -4.6400060423
 Al        10.4416139522       10.2428806349       15.1886388661
 Al         6.7343105969        2.0824591380        2.5625014026
 Al         5.6502408553       -0.8947792855        3.4441969423
 Al         3.3150606105       -5.3742585142       15.8585021983
      70
 i =      481, time =      240.500, E =      -204.8815081008
 Al        -6.3846479733        0.9372033618        7.1335554922
 Al        15.9095087171        0.9693965438        8.0763738686
 Al        18.2220375437       -1.9770604189        6.6510576685
 Al         9.9875705955        1.6470348737        1.6826204407
 Al         0.3142112122      -24.5924293383       -4.3999818714
 Al         4.0425700682      -20.8414684866      -20.1549918843
 Al         4.2790223988       -3.2751018342        4.8430164122
 Al        20.4918249243       -2.6860634624        1.7386718302
 Al       -13.7282072295      -13.1890130165        1.0900343391
 Al        -7.5539371021       -3.6084350699        9.2732347128
 Al         4.4334842174        0.6588375021       -1.4558456742
 Al         0.4100716420       14.2003976113       11.2860449183
 Al        -2.1931970622        4.1681512502       -1.6262890188
 Al         3.9878866655        1.7992156672        4.5680702154
 Al         0.3617640309        5.4080108693        1.7617430704
 Al        -5.4453260869        3.4070207324        5.6868585591
 Al       -14.4294258926        2.0550627456        7.2807629776
 Al        -3.2268610598       -5.2686584807      -17.9399128735
 Al         6.9134624377       -9.6227846839      -12.9792843769
 Al        23.6889524185       -2.7382552771       10.2416445585
 Al        -0.3120045808       -3.3177965850        0.2170489557
 Al         6.6703535088        3.7766128001        8.5860506659
 Al        -6.0565987254        5.8673661245        3.6796328987
 Al         1.6938172847       -2.1047693908        2.7789143239
 Al         8.3384763305       10.8249502619       -1.6635956430
 Al       -11.3296626164       -5.6147068168       -2.3758999231
 Al        -9.5509767326       19.7442378585        7.3562199897
 Al         3.0600046715        2.9662828030       -2.2371586249
 Al        10.5251511072       -7.5887167632      -11.5755905199
 Al         9.6932306135      -20.5325465361        3.7192040246
 Al        20.7956406029       -5.4105771006       26.5541287888
 Al         4.8153845435       -8.0566701927      -12.0462256214
 Al        14.8626573419        8.1028644349       14.0295448012
 Al         5.0274404836       -2.5000351367      -11.3100339053
 Al        10.2330052609      -24.3413445052       11.0665301197
 Al        15.2595838813      -14.6334741538       -3.1910389239
 Al        15.4984407153        4.3396724486        2.5706075356
 Al        10.4591299516       -5.5676398423       10.1796030670
 Al         7.7732834088        7.5861698052       22.5899458768
 Al         1.2625754299        0.7619102653        1.0545511240
 Al        13.0737797350        7.0099276016        5.7835365230
 Al        12.9494064019       -1.7521963734        6.3619266106
 Al         3.8474608474        6.7220287401       11.9305728941
 Al        13.8399386984        1.3890113027        5.2191017715
 Al         5.5738491914       10.6458317922      -13.9989316227
 Al        12.1244730119       15.9077500249        4.0071964136
 Al        -5.2488034643       13.8400169457      -15.4312319985
 Al        -2.9405740651       -8.3756923981       -4.3385958928
 Al        23.1324931569      -15.4893975301       18.7194735729
 Al         8.2365257944       10.6597773848      -17.6546984899
 Al        13.0584591415       -8.3986115135       11.8735125515
 Al         9.3138740307        8.1161440570       -8.8994657131
 Al        11.7521049796        7.4905300980        2.8689160986
 Al         8.6181234522      -12.6044897107        5.2301325609
 Al        12.9275969329        8.7709976189       -4.2612818060
 Al         6.9747867948       -5.1735802208        6.2777719821
  C         7.8537594268        3.8647277627        3.8028767739
  O         5.0461466123       -5.6005336465       10.0405062073
  O         8.7642856208        1.0867796163        3.3957498930
  C         5.3622298151        1.0394207203        2.9177319764
  O         1.8989906311       -2.4101746961        4.9361962356
  O         8.1846271750        2.2677787563        0.9375874233
 Al        12.4325663290        4.3225556234        6.5382987737
 Al        -8.9441602432        0.6314582445       14.1171856285
 Al        17.3445440017        5.2361792205        9.4867752299
 Al         2.1783597015       16.3292731810       -4.8860276554
 Al        11.0006692814       10.7877691778       16.0024190034
 Al         7.0873760999        2.1937677862        2.7028529935
 Al         5.9527125441       -0.9425083817        3.6282099354
 Al         3.4949896260       -5.6584085064       16.7015844830
      70
 i =      482, time =      241.000, E =      -204.5198536452
 Al        -6.5716624030        0.9664671061        7.3442811307
 Al        16.3873917182        0.9922823770        8.3164289352
 Al        18.7657917500       -2.0351728522        6.8502157593
 Al        10.2805463675        1.6963259668        1.7330473908
 Al         0.3236316314      -25.3259172199       -4.5274834876
 Al         4.1580624274      -21.4607127083      -20.7554272735
 Al         4.4059673980       -3.3708094827        4.9853160099
 Al        21.0998572734       -2.7643447120        1.7894014587
 Al       -14.1389043790      -13.5783500179        1.1188995202
 Al        -7.7792948583       -3.7070738498        9.5439432885
 Al         4.5677600965        0.6818941303       -1.4995021273
 Al         0.4181335800       14.6263773437       11.6202626571
 Al        -2.2602418393        4.2904813554       -1.6745419651
 Al         4.1099112140        1.8523551659        4.7041385298
 Al         0.3741953282        5.5714709782        1.8149645843
 Al        -5.6084429333        3.5108711041        5.8623732462
 Al       -14.8570608408        2.1044856088        7.4996961491
 Al        -3.3194487863       -5.4283720827      -18.4725038461
 Al         7.1144195720       -9.9086114178      -13.3680232204
 Al        24.3933217748       -2.8177416221       10.5438867003
 Al        -0.3201856656       -3.4159225129        0.2251311622
 Al         6.8756213084        3.8900880654        8.8365637492
 Al        -6.2399145226        6.0458165724        3.7890451126
 Al         1.7426137749       -2.1678648770        2.8473270830
 Al         8.5867865544       11.1457347157       -1.7082187071
 Al       -11.6666329661       -5.7857354768       -2.4416169217
 Al        -9.8365932207       20.3298371151        7.5734425339
 Al         3.1453382273        3.0489681224       -2.3065039751
 Al        10.8367159565       -7.8124043386      -11.9186215808
 Al         9.9842314468      -21.1405701994        3.8268122925
 Al        21.4097063332       -5.5778943988       27.3421087703
 Al         4.9577985873       -8.2951400674      -12.3977723254
 Al        15.3052154395        8.3444398866       14.4485066207
 Al         5.1732642410       -2.5750792725      -11.6477132608
 Al        10.5353131292      -25.0657272653       11.3950937193
 Al        15.7170931585      -15.0701951277       -3.2882141948
 Al        15.9570632282        4.4661548582        2.6435060972
 Al        10.7712262512       -5.7358811115       10.4811004911
 Al         8.0020496085        7.8085697424       23.2667741665
 Al         1.3029775035        0.7839664605        1.0836929396
 Al        13.4605915763        7.2210612767        5.9520515877
 Al        13.3335304771       -1.8043266447        6.5508858542
 Al         3.9606020519        6.9283872371       12.2853313413
 Al        14.2559188348        1.4343791874        5.3773169138
 Al         5.7348890147       10.9651667519      -14.4103926747
 Al        12.4827975446       16.3786645962        4.1193974551
 Al        -5.4025778332       14.2505329704      -15.8866184999
 Al        -3.0302605768       -8.6210736944       -4.4681826881
 Al        23.8216952245      -15.9484676877       19.2762001767
 Al         8.4840286825       10.9789129357      -18.1770391178
 Al        13.4496747064       -8.6488909617       12.2247260324
 Al         9.5899216105        8.3578378645       -9.1536151553
 Al        12.1035425504        7.7159915271        2.9546221232
 Al         8.8751515668      -12.9859830708        5.3885321375
 Al        13.3157408963        9.0318084047       -4.3880348755
 Al         7.1794917986       -5.3172174869        6.4631492685
  C         8.1010530337        3.9665310409        3.9094778106
  O         5.1941798462       -5.7699011303       10.3439482053
  O         9.0323979533        1.1145218672        3.4944640521
  C         5.5258827457        1.0776176108        3.0126996882
  O         1.9448692331       -2.4880907966        5.0958917298
  O         8.4303716688        2.3375829920        0.9588530258
 Al        12.8002919135        4.4537277318        6.7309550330
 Al        -9.2096043189        0.6494590943       14.5327688482
 Al        17.8632040274        5.3827319559        9.7712109599
 Al         2.2489008607       16.8161515459       -5.0293650026
 Al        11.3284877487       11.1059038171       16.4798837968
 Al         7.2916722519        2.2589590767        2.7864462025
 Al         6.1300798967       -0.9703558586        3.7359152073
 Al         3.6014413401       -5.8236754699       17.1936858058
      70
 i =      483, time =      241.500, E =      -204.2418149822
 Al        -6.7000118617        0.9870946426        7.4894476815
 Al        16.7189092342        1.0063565085        8.4822565551
 Al        19.1420416155       -2.0751311339        6.9882431163
 Al        10.4815892950        1.7304276459        1.7680786272
 Al         0.3301984496      -25.8332548524       -4.6146301308
 Al         4.2364678417      -21.8883266402      -21.1705290766
 Al         4.4934646089       -3.4363922018        5.0831184415
 Al        21.5195046181       -2.8179505918        1.8241918149
 Al       -14.4233122007      -13.8464599398        1.1378323856
 Al        -7.9352080024       -3.7727881593        9.7294595302
 Al         4.6612448827        0.6988340131       -1.5297494854
 Al         0.4224874765       14.9217445229       11.8507000337
 Al        -2.3070826556        4.3745480485       -1.7078575298
 Al         4.1952527828        1.8889451959        4.7981242222
 Al         0.3833609464        5.6851438909        1.8519607617
 Al        -5.7214863516        3.5833746851        5.9854836564
 Al       -15.1520454491        2.1352105147        7.6516551014
 Al        -3.3824189045       -5.5396073012      -18.8401602239
 Al         7.2519384429      -10.1060292559      -13.6373635278
 Al        24.8798821161       -2.8721146606       10.7520429887
 Al        -0.3255340641       -3.4835379904        0.2312159267
 Al         7.0195196533        3.9688145640        9.0081603780
 Al        -6.3674356304        6.1701809829        3.8646401900
 Al         1.7758753118       -2.2116183243        2.8905518164
 Al         8.7584380459       11.3670151168       -1.7376903091
 Al       -11.8994238271       -5.9050946067       -2.4855350787
 Al       -10.0343776566       20.7339241470        7.7230274434
 Al         3.2026310242        3.1044863951       -2.3552640136
 Al        11.0514641643       -7.9663645872      -12.1552458981
 Al        10.1859870399      -21.5599469718        3.9002077563
 Al        21.8326498353       -5.6953765278       27.8860120823
 Al         5.0559315773       -8.4595613992      -12.6387031019
 Al        15.6111303670        8.5114913750       14.7384590012
 Al         5.2729138126       -2.6270981144      -11.8813718705
 Al        10.7435616271      -25.5663008693       11.6219105364
 Al        16.0342633372      -15.3723288106       -3.3560479149
 Al        16.2732184138        4.5528233849        2.6927942457
 Al        10.9871366988       -5.8529093021       10.6890259507
 Al         8.1593767094        7.9613088482       23.7358052556
 Al         1.3316868176        0.7989831025        1.1031973101
 Al        13.7272371487        7.3676791566        6.0674632426
 Al        13.5987283566       -1.8403991134        6.6812843371
 Al         4.0383734642        7.0728442610       12.5303501528
 Al        14.5445859625        1.4669289810        5.4874857011
 Al         5.8447713325       11.1866280057      -14.6931936519
 Al        12.7296864121       16.7033661917        4.1948809698
 Al        -5.5081426877       14.5338430832      -16.2001623995
 Al        -3.0928992470       -8.7895004546       -4.5578480976
 Al        24.2981373493      -16.2651199227       19.6607836998
 Al         8.6557441139       11.2000047089      -18.5371122016
 Al        13.7207790260       -8.8219053413       12.4667744549
 Al         9.7803583229        8.5248927525       -9.3261159941
 Al        12.3469149851        7.8725386551        3.0139628987
 Al         9.0529120360      -13.2514181006        5.4986676113
 Al        13.5849757391        9.2119911217       -4.4756209553
 Al         7.3201194808       -5.4134258823        6.5908110815
  C         8.2756608825        4.0331516226        3.9813857937
  O         5.2958357886       -5.8876918120       10.5550841678
  O         9.2197524870        1.1323554557        3.5619631191
  C         5.6399349199        1.1059487930        3.0808812501
  O         1.9734128404       -2.5436855860        5.2097959438
  O         8.6006912423        2.3864994693        0.9717117518
 Al        13.0537778504        4.5451384346        6.8635258608
 Al        -9.3926540561        0.6616935624       14.8186774254
 Al        18.2223241328        5.4812912765        9.9683844842
 Al         2.2993352172       17.1528723824       -5.1278024222
 Al        11.5551116201       11.3248536694       16.8101920363
 Al         7.4310781122        2.3039687591        2.8451919708
 Al         6.2527169242       -0.9894540224        3.8101909380
 Al         3.6757072117       -5.9369848268       17.5323250347
      70
 i =      484, time =      242.000, E =      -203.9406864008
 Al        -6.8310463562        1.0081080908        7.6376227081
 Al        17.0570445308        1.0208844249        8.6514953492
 Al        19.5259723665       -2.1159347949        7.1290761971
 Al        10.6866631219        1.7651767220        1.8038854684
 Al         0.3369333654      -26.3508683909       -4.7036866337
 Al         4.3165997135      -22.3246607533      -21.5940738998
 Al         4.5826530105       -3.5033236382        5.1829718314
 Al        21.9477379860       -2.8727017421        1.8597473475
 Al       -14.7134217345      -14.1201001128        1.1572850137
 Al        -8.0942959530       -3.8401777306        9.9188937302
 Al         4.7565793965        0.7160238159       -1.5605878258
 Al         0.4270346286       15.2230517848       12.0858495640
 Al        -2.3548142949        4.4604016121       -1.7418658486
 Al         4.2822850318        1.9262871613        4.8939413855
 Al         0.3927334636        5.8010468387        1.8896700721
 Al        -5.8368000742        3.6573132889        6.1108933669
 Al       -15.4530692645        2.1668885661        7.8066596490
 Al        -3.4467721383       -5.6530374037      -19.2153310885
 Al         7.3924411526      -10.3075440598      -13.9120815300
 Al        25.3763552914       -2.9276796500       10.9645424788
 Al        -0.3310364360       -3.5525318753        0.2374085720
 Al         7.1662303921        4.0491088418        9.1833340513
 Al        -6.4974123141        6.2969032371        3.9417977550
 Al         1.8098699822       -2.2562812235        2.9351598719
 Al         8.9335868123       11.5928408304       -1.7679560687
 Al       -12.1369490150       -6.0267931962       -2.5304508023
 Al       -10.2361628012       21.1462869130        7.8756771998
 Al         3.2612528345        3.1613042715       -2.4049799125
 Al        11.2705833478       -8.1235273616      -12.3967212615
 Al        10.3916904118      -21.9880418651        3.9751161724
 Al        22.2643432855       -5.8150922201       28.4410969303
 Al         5.1560611506       -8.6273664396      -12.8847567851
 Al        15.9232802189        8.6819257876       15.0342865813
 Al         5.3746914691       -2.6801226508      -12.1197526918
 Al        10.9561068519      -26.0770580007       11.8533652716
 Al        16.3578226365      -15.6805648561       -3.4252396554
 Al        16.5958781754        4.6413716118        2.7431547492
 Al        11.2074105854       -5.9722715189       10.9012213158
 Al         8.3199702748        8.1172785889       24.2142489875
 Al         1.3608755581        0.8142822318        1.1231737752
 Al        13.9993789910        7.5171900224        6.1853359516
 Al        13.8694693310       -1.8772661480        6.8142777478
 Al         4.1177599110        7.2200714906       12.7803162014
 Al        14.8390293187        1.5000550174        5.5998145008
 Al         5.9570309388       11.4125771618      -14.9818659197
 Al        12.9816679162       17.0347674822        4.2721047024
 Al        -5.6159360488       14.8229834387      -16.5201817395
 Al        -3.1567797968       -8.9614616860       -4.6493059677
 Al        24.7842177086      -16.5882367267       20.0531726933
 Al         8.8308748631       11.4255433847      -18.9046153363
 Al        13.9973248527       -8.9984030890       12.7137851806
 Al         9.9747231309        8.6953290494       -9.5024223978
 Al        12.5952016467        8.0321987309        3.0745208834
 Al         9.2342569574      -13.5220272744        5.6108415757
 Al        13.8596143313        9.3958604751       -4.5650020535
 Al         7.4637061775       -5.5118438057        6.7210913380
  C         8.4532321075        4.1015935718        4.0551147980
  O         5.3995946604       -6.0078079910       10.7704595518
  O         9.4106805098        1.1506916034        3.6308654548
  C         5.7559977400        1.1344731636        3.1503940792
  O         2.0027596220       -2.6001552927        5.3255112974
  O         8.7742929589        2.4363612879        0.9851273453
 Al        13.3125249472        4.6383565741        6.9988491701
 Al        -9.5792998325        0.6742207594       15.1105805965
 Al        18.5886749093        5.5821123632       10.1695268816
 Al         2.3506488436       17.4964176385       -5.2282902036
 Al        11.7862993232       11.5483040153       17.1471869551
 Al         7.5736674085        2.3498882911        2.9051030453
 Al         6.3778405627       -1.0088502724        3.8859153536
 Al         3.7514125565       -6.0526987196       17.8780194582
      70
 i =      485, time =      242.500, E =      -203.7077852469
 Al        -6.9322191555        1.0247248211        7.7524495774
 Al        17.3206767673        1.0309374421        8.7829777547
 Al        19.8246927966       -2.1475079616        7.2388001945
 Al        10.8448523603        1.7921760473        1.8318852443
 Al         0.3422342859      -26.7533859879       -4.7722345194
 Al         4.3778541215      -22.6634770724      -21.9233234810
 Al         4.6517254354       -3.5549129996        5.2601960586
 Al        22.2800937149       -2.9149217540        1.8872035673
 Al       -14.9392390305      -14.3320425118        1.1717092670
 Al        -8.2180452988       -3.8908578082       10.0649970588
 Al         4.8311553959        0.7300976675       -1.5845942699
 Al         0.4296934744       15.4579059536       12.2681929208
 Al        -2.3922456602        4.5267969225       -1.7682778885
 Al         4.3506768971        1.9552172086        4.9682991440
 Al         0.4004516510        5.8916064546        1.9191050305
 Al        -5.9266161177        3.7153223608        6.2095753599
 Al       -15.6865676313        2.1890776132        7.9275991374
 Al        -3.4960707529       -5.7417930434      -19.5065687242
 Al         7.5007000349      -10.4641074428      -14.1259909111
 Al        25.7619852996       -2.9704919121       11.1291835511
 Al        -0.3351065903       -3.6059975626        0.2425930627
 Al         7.2817313933        4.1117173124        9.3183241156
 Al        -6.5989647682        6.3960636103        4.0017604675
 Al         1.8359602798       -2.2911257575        2.9670070321
 Al         9.0697193464       11.7680256403       -1.7905407695
 Al       -12.3214583665       -6.1221937386       -2.5642666755
 Al       -10.3932553879       21.4662780376        7.9938970569
 Al         3.3056169788        3.2043063295       -2.4442434997
 Al        11.4404360854       -8.2452061092      -12.5840275238
 Al        10.5519119035      -22.3202024595        4.0325794448
 Al        22.5987875894       -5.9094365936       28.8720056278
 Al         5.2336359089       -8.7574823615      -13.0745364151
 Al        16.1658919965        8.8144385034       15.2644662053
 Al         5.4529776933       -2.7214012409      -12.3051962644
 Al        11.1207909857      -26.4739029557       12.0330470732
 Al        16.6099782013      -15.9203031842       -3.4795201941
 Al        16.8460437988        4.7096839273        2.7814935625
 Al        11.3787257670       -6.0655771110       11.0657924952
 Al         8.4442142286        8.2378150862       24.5869295267
 Al         1.3841078620        0.8259844580        1.1382420843
 Al        14.2103684346        7.6338523839        6.2762051320
 Al        14.0797398159       -1.9060002334        6.9174280072
 Al         4.1791597878        7.3357859184       12.9744077872
 Al        15.0686870850        1.5266767657        5.6876964354
 Al         6.0432577625       11.5887336641      -15.2050608083
 Al        13.1769367428       17.2917832858        4.3306636275
 Al        -5.6992077006       15.0474064286      -16.7680253375
 Al        -3.2069043674       -9.0942780475       -4.7204399771
 Al        25.1620248091      -16.8388626661       20.3579407454
 Al         8.9674242977       11.6011761353      -19.1895609995
 Al        14.2127309332       -9.1355755004       12.9052411084
 Al        10.1255458065        8.8277698646       -9.6371879263
 Al        12.7884807768        8.1567798632        3.1216639657
 Al         9.3752516788      -13.7335419112        5.6983784110
 Al        14.0737409873        9.5386983081       -4.6344512642
 Al         7.5747123957       -5.5861165289        6.8219960127
  C         8.5937331221        4.1521631394        4.1113001807
  O         5.4797158204       -6.1017253273       10.9388658521
  O         9.5604788543        1.1640071438        3.6838646425
  C         5.8467453319        1.1578951725        3.2063379662
  O         2.0232318616       -2.6452039597        5.4178902377
  O         8.9094503126        2.4756037296        0.9943284077
 Al        13.5131591754        4.7113344267        7.1035916714
 Al        -9.7239543710        0.6838176264       15.3365204867
 Al        18.8738429440        5.6585351032       10.3262832837
 Al         2.3917212861       17.7635432833       -5.3059281566
 Al        11.9659767709       11.7212702238       17.4092901556
 Al         7.6833215526        2.3855368157        2.9523974969
 Al         6.4750974040       -1.0237335215        3.9445909901
 Al         3.8107358363       -6.1419745736       18.1456330134
      70
 i =      486, time =      243.000, E =      -203.5003837349
 Al        -7.0209033744        1.0394740304        7.8533229756
 Al        17.5529810021        1.0392060553        8.8986390475
 Al        20.0876785323       -2.1752282838        7.3354635533
 Al        10.9833274940        1.8159003263        1.8566410597
 Al         0.3469501097      -27.1075779027       -4.8322515550
 Al         4.4312497094      -22.9613963062      -22.2130208872
 Al         4.7123160664       -3.6000718475        5.3279603426
 Al        22.5722422574       -2.9519297002        1.9112861315
 Al       -15.1380247725      -14.5181383604        1.1840947668
 Al        -8.3269672875       -3.9347009882       10.1930174714
 Al         4.8969874359        0.7428147044       -1.6057200799
 Al         0.4316159164       15.6648436017       12.4284057654
 Al        -2.4253136364        4.5850706617       -1.7915100490
 Al         4.4112263905        1.9806321744        5.0336014592
 Al         0.4074688208        5.9714886661        1.9450418955
 Al        -6.0057044880        3.7666393801        6.2969052185
 Al       -15.8917417998        2.2074714063        8.0342245313
 Al        -3.5391073855       -5.8201439030      -19.7626191665
 Al         7.5955407657      -10.6018592524      -14.3143120322
 Al        26.1011201134       -3.0080073610       11.2738033403
 Al        -0.3385991917       -3.6529562380        0.2473433292
 Al         7.3840700570        4.1668885907        9.4365028779
 Al        -6.6885196700        6.4835705083        4.0545233936
 Al         1.8587610732       -2.3218622911        2.9937680521
 Al         9.1894786407       11.9219775238       -1.8099948049
 Al       -12.4837281241       -6.2065082406       -2.5934897487
 Al       -10.5315856401       21.7475383160        8.0976899465
 Al         3.3440879583        3.2415984196       -2.4791044316
 Al        11.5896324959       -8.3520227739      -12.7486171699
 Al        10.6929571677      -22.6122221774        4.0827313262
 Al        22.8925162806       -5.9930405062       29.2508841397
 Al         5.3017423907       -8.8717979693      -13.2408214506
 Al        16.3793231621        8.9310337407       15.4670867261
 Al         5.5214653769       -2.7577198371      -12.4684018625
 Al        11.2654309097      -26.8229439107       12.1910206684
 Al        16.8321400651      -16.1312748525       -3.5275317376
 Al        17.0658366370        4.7695717515        2.8148311754
 Al        11.5294824832       -6.1479210653       11.2103998282
 Al         8.5532487113        8.3435530254       24.9151562952
 Al         1.4047893205        0.8361696929        1.1512792149
 Al        14.3957275781        7.7366862025        6.3558099866
 Al        14.2647152428       -1.9313660114        7.0080210966
 Al         4.2330427458        7.4381795050       13.1450320783
 Al        15.2711090540        1.5505324392        5.7652860803
 Al         6.1186338504       11.7439815675      -15.4008582076
 Al        13.3484452233       17.5176419382        4.3815145394
 Al        -5.7722335066       15.2447147500      -16.9856430266
 Al        -3.2512349773       -9.2107376175       -4.7830286155
 Al        25.4943841884      -17.0590963422       20.6259442791
 Al         9.0877409337       11.7558338846      -19.4399399831
 Al        14.4024365259       -9.2562340771       13.0734158041
 Al        10.2581387252        8.9442595658       -9.7546869135
 Al        12.9586421193        8.2665961826        3.1631787425
 Al         9.4993019226      -13.9201492641        5.7754630469
 Al        14.2624297360        9.6643289079       -4.6955439886
 Al         7.6721146215       -5.6503960409        6.9105871831
  C         8.7183911794        4.1954551033        4.1603363241
  O         5.5498929786       -6.1846406494       11.0875261168
  O         9.6928690161        1.1752907634        3.7302025154
  C         5.9267187435        1.1789898023        3.2565459799
  O         2.0400912486       -2.6853378658        5.5002375485
  O         9.0283715376        2.5103684204        1.0019200528
 Al        13.6894660157        4.7757805641        7.1955317628
 Al        -9.8509327971        0.6922063604       15.5348758813
 Al        19.1249140543        5.7248829555       10.4644040812
 Al         2.4284123074       17.9985826320       -5.3740056584
 Al        12.1240219132       11.8730804367       17.6399529322
 Al         7.7793451641        2.4168756557        2.9943823614
 Al         6.5606527671       -1.0366658327        3.9960768949
 Al         3.8631459405       -6.2202122628       18.3805617133
      70
 i =      487, time =      243.500, E =      -203.2621019991
 Al        -7.1199705300        1.0557761029        7.9658566160
 Al        17.8113486524        1.0489817630        9.0275244914
 Al        20.3805462476       -2.2061863949        7.4430304482
 Al        11.1378551026        1.8422851233        1.8842317684
 Al         0.3522134263      -27.5019860330       -4.8994572327
 Al         4.4911765722      -23.2933813193      -22.5357180442
 Al         4.7798077991       -3.6505344857        5.4036322818
 Al        22.8978573373       -2.9933371625        1.9382276418
 Al       -15.3592408910      -14.7257530952        1.1982431850
 Al        -8.4482677158       -3.9844174572       10.3361542392
 Al         4.9701074542        0.7566566526       -1.6292112373
 Al         0.4341396624       15.8950749658       12.6070413129
 Al        -2.4619671178        4.6501744577       -1.8174000535
 Al         4.4784062572        2.0089938996        5.1062906329
 Al         0.4151360192        6.0602273109        1.9738421458
 Al        -6.0936953807        3.8235950743        6.3935354056
 Al       -16.1204581581        2.2290814088        8.1528177743
 Al        -3.5873834964       -5.9071405644      -20.0479885025
 Al         7.7016925133      -10.7554179980      -14.5238166217
 Al        26.4789873019       -3.0500174721       11.4351792786
 Al        -0.3426017061       -3.7053204559        0.2524949594
 Al         7.4974695950        4.2282342706        9.5686110384
 Al        -6.7879675228        6.5806577694        4.1133221912
 Al         1.8843186616       -2.3560819206        3.0249808770
 Al         9.3228672024       12.0935997467       -1.8321506180
 Al       -12.6645222763       -6.3000661103       -2.6265105795
 Al       -10.6855692975       22.0610490054        8.2134639700
 Al         3.3874817642        3.2836505437       -2.5177025370
 Al        11.7559936644       -8.4712184181      -12.9320857588
 Al        10.8497651374      -22.9378950865        4.1388516841
 Al        23.2202042856       -6.0855753991       29.6732115510
 Al         5.3776778020       -8.9992661056      -13.4267255867
 Al        16.6170725408        9.0608763275       15.6926840679
 Al         5.5981281573       -2.7980879505      -12.6501149314
 Al        11.4267845482      -27.2117679086       12.3670796757
 Al        17.0793370907      -16.3661800350       -3.5808306681
 Al        17.3109462808        4.8365697658        2.8522993816
 Al        11.6973371819       -6.2394168103       11.3716107335
 Al         8.6749618741        8.4616770765       25.2803801111
 Al         1.4275483400        0.8475586880        1.1659998275
 Al        14.6024310523        7.8509897360        6.4448437484
 Al        14.4709589527       -1.9596753564        7.1089293385
 Al         4.2932073299        7.5516516845       13.3350926883
 Al        15.4962369061        1.5767524970        5.8514595687
 Al         6.2030623363       11.9167196723      -15.6194546988
 Al        13.5397431324       17.7695085286        4.4388427068
 Al        -5.8538256444       15.4646659932      -17.2284389020
 Al        -3.3003991849       -9.3408513852       -4.8527083402
 Al        25.8645531081      -17.3046131920       20.9245278388
 Al         9.2215477025       11.9279457967      -19.7191769360
 Al        14.6135203291       -9.3906133512       13.2609737177
 Al        10.4059837690        9.0740079343       -9.8865965529
 Al        13.1480346555        8.3886873186        3.2093991086
 Al         9.6374383758      -14.1274007021        5.8610034163
 Al        14.4723213788        9.8043087308       -4.7636079769
 Al         7.7809233426       -5.7229557282        7.0094157105
  C         8.8558990799        4.2449580739        4.2157189259
  O         5.6281802594       -6.2768214723       11.2527330245
  O         9.8396207965        1.1883071325        3.7820018774
  C         6.0153454848        1.2017087315        3.3117954829
  O         2.0597965183       -2.7294260027        5.5907302932
  O         9.1605700122        2.5488948289        1.0110574877
 Al        13.8860965029        4.8473374372        7.2981262581
 Al        -9.9923813695        0.7016396643       15.7563018965
 Al        19.4043898991        5.7997304529       10.6180954783
 Al         2.4687581844       18.2603323542       -5.4500382383
 Al        12.3000233245       12.0424493363       17.8968009884
 Al         7.8870365384        2.4517899104        3.0408949258
 Al         6.6559226409       -1.0510216577        4.0534032715
 Al         3.9213031538       -6.3076606649       18.6427464523
      70
 i =      488, time =      244.000, E =      -203.0769778294
 Al        -7.1999018093        1.0692200203        8.0569944313
 Al        18.0217275973        1.0560058426        9.1321533435
 Al        20.6186131989       -2.2312314649        7.5305614407
 Al        11.2622657681        1.8636761570        1.9068128229
 Al         0.3565569773      -27.8223569219       -4.9535580577
 Al         4.5390526008      -23.5627003248      -22.7978038769
 Al         4.8343687345       -3.6911650158        5.4648044378
 Al        23.1618576358       -3.0267403290        1.9599837388
 Al       -15.5390632254      -14.8937645775        1.2092383674
 Al        -8.5468444602       -4.0235761188       10.4515688833
 Al         5.0298313635        0.7684259108       -1.6483038815
 Al         0.4355329202       16.0825278139       12.7517749116
 Al        -2.4919459341        4.7028164446       -1.8384092876
 Al         4.5335545295        2.0319662939        5.1651562594
 Al         0.4216921081        6.1326242520        1.9972969089
 Al        -6.1652565248        3.8702792151        6.4728085270
 Al       -16.3057786860        2.2448419525        8.2494808473
 Al        -3.6260624512       -5.9782060228      -20.2794313880
 Al         7.7872455834      -10.8801135326      -14.6941366448
 Al        26.7856109533       -3.0838851453       11.5658481939
 Al        -0.3457067432       -3.7477164034        0.2569746915
 Al         7.5906769801        4.2781854372        9.6749813338
 Al        -6.8690715782        6.6599441919        4.1610777721
 Al         1.9048276834       -2.3839912983        3.0482886168
 Al         9.4311629804       12.2326860153       -1.8494588664
 Al       -12.8112408196       -6.3766303371       -2.6525057121
 Al       -10.8108014595       22.3152129165        8.3071397781
 Al         3.4218216860        3.3169225160       -2.5495432163
 Al        11.8907337132       -8.5676373887      -13.0807452317
 Al        10.9772405653      -23.2019980946        4.1838019909
 Al        23.4854836321       -6.1616633988       30.0157781863
 Al         5.4391171104       -9.1025176366      -13.5765932208
 Al        16.8101038035        9.1663266790       15.8760521640
 Al         5.6597781955       -2.8308781094      -12.7977710627
 Al        11.5574189998      -27.5273548458       12.5098716456
 Al        17.2805718664      -16.5570233988       -3.6245070349
 Al        17.5095117468        4.8906277495        2.8821131300
 Al        11.8336988795       -6.3141100178       11.5022244550
 Al         8.7733619356        8.5571004814       25.5775096228
 Al         1.4464157255        0.8566478235        1.1775963662
 Al        14.7698641060        7.9441198976        6.5166040553
 Al        14.6383738527       -1.9827880532        7.1906332130
 Al         4.3418556258        7.6447237729       13.4892233957
 Al        15.6796374419        1.5987216402        5.9218657529
 Al         6.2708575514       12.0574011974      -15.7960718361
 Al        13.6946292597       17.9736205942        4.4843299817
 Al        -5.9197036491       15.6430490778      -17.4249219975
 Al        -3.3406736691       -9.4458889164       -4.9093090404
 Al        26.1651077021      -17.5035714327       21.1667923724
 Al         9.3304968739       12.0679262172      -19.9454207700
 Al        14.7852325525       -9.4997068076       13.4128720045
 Al        10.5258802442        9.1793254015       -9.9920228412
 Al        13.3020136455        8.4881654120        3.2469772138
 Al         9.7496225897      -14.2965247676        5.9306133923
 Al        14.6432410334        9.9179071816       -4.8188563201
 Al         7.8688703187       -5.7801999335        7.0893870049
  C         8.9692897464        4.2832139504        4.2600401222
  O         5.6912623121       -6.3521649139       11.3876420675
  O         9.9597544872        1.1981878812        3.8236143213
  C         6.0876064691        1.2209668064        3.3581740942
  O         2.0739607018       -2.7660383082        5.6659770767
  O         9.2679669734        2.5805563826        1.0176319572
 Al        14.0454210633        4.9058201242        7.3810951703
 Al       -10.1068306099        0.7092150437       15.9354224126
 Al        19.6316368070        5.8591263940       10.7432304481
 Al         2.5023999720       18.4729257919       -5.5114199567
 Al        12.4429033283       12.1794131939       18.1054749937
 Al         7.9737240154        2.4801061885        3.0792454040
 Al         6.7332628726       -1.0624421579        4.0997530962
 Al         3.9688803780       -6.3781720988       18.8548319203
      70
 i =      489, time =      244.500, E =      -202.9392733014
 Al        -7.2558675798        1.0791029355        8.1213434907
 Al        18.1721062186        1.0595352335        9.2064215695
 Al        20.7881049249       -2.2488711354        7.5930238713
 Al        11.3489988376        1.8788311436        1.9231139481
 Al         0.3597426386      -28.0501052293       -4.9912184205
 Al         4.5718120238      -23.7536019306      -22.9840490562
 Al         4.8727669761       -3.7194880945        5.5078158387
 Al        23.3487453923       -3.0501116145        1.9752374287
 Al       -15.6671205800      -15.0121953885        1.2162468327
 Al        -8.6169868643       -4.0494353818       10.5322452987
 Al         5.0728152497        0.7776285347       -1.6618992400
 Al         0.4354784521       16.2164739224       12.8540736451
 Al        -2.5135906603        4.7398464007       -1.8533052314
 Al         4.5736683949        2.0481923920        5.2067413842
 Al         0.4268594524        6.1846004073        2.0140745455
 Al        -6.2162694063        3.9041153771        6.5304292718
 Al       -16.4367955233        2.2531772064        8.3187112219
 Al        -3.6527051266       -6.0293628241      -20.4433884185
 Al         7.8469700369      -10.9686766704      -14.8154575596
 Al        27.0030881202       -3.1075378187       11.6580624594
 Al        -0.3476757852       -3.7776322265        0.2606220781
 Al         7.6586619469        4.3138862500        9.7491201014
 Al        -6.9272598490        6.7170072997        4.1950061770
 Al         1.9190056021       -2.4040047726        3.0615621881
 Al         9.5080625526       12.3310530868       -1.8606534558
 Al       -12.9153236801       -6.4319643865       -2.6696743711
 Al       -10.9000674523       22.4951010845        8.3731529747
 Al         3.4447832482        3.3391593677       -2.5729421362
 Al        11.9859016736       -8.6355408554      -13.1858476299
 Al        11.0680539845      -23.3890107418        4.2147701751
 Al        23.6726315280       -6.2172240239       30.2585123703
 Al         5.4824179111       -9.1754599495      -13.6813076977
 Al        16.9471845520        9.2412640379       16.0065922780
 Al         5.7026130820       -2.8541962511      -12.9028322585
 Al        11.6495999937      -27.7513096694       12.6110367427
 Al        17.4243208766      -16.6927463686       -3.6561522904
 Al        17.6498166911        4.9284634512        2.9023238602
 Al        11.9306603800       -6.3677973112       11.5945433774
 Al         8.8425683565        8.6240828735       25.7894834393
 Al         1.4604428016        0.8628630289        1.1852652680
 Al        14.8881421448        8.0107821563        6.5667093234
 Al        14.7571711168       -1.9993818968        7.2483201477
 Al         4.3760809178        7.7123234104       13.5984008893
 Al        15.8108569760        1.6153943640        5.9725656728
 Al         6.3177974856       12.1579838156      -15.9201163340
 Al        13.8039333623       18.1179548961        4.5149388420
 Al        -5.9658995904       15.7694041948      -17.5634230625
 Al        -3.3698337620       -9.5195109120       -4.9495516567
 Al        26.3785638483      -17.6442616084       21.3385868788
 Al         9.4083703095       12.1677254650      -20.1053215432
 Al        14.9077040273       -9.5771705898       13.5201350248
 Al        10.6107885478        9.2540795933      -10.0642214432
 Al        13.4117033236        8.5593678784        3.2737518744
 Al         9.8293420952      -14.4180048902        5.9803450243
 Al        14.7654204788        9.9984948548       -4.8580635256
 Al         7.9306842217       -5.8182021525        7.1457603768
  C         9.0526642375        4.3072786685        4.2904238138
  O         5.7353154289       -6.4064533804       11.4846703022
  O        10.0466612196        1.2041113884        3.8524626934
  C         6.1394636588        1.2359851890        3.3934906298
  O         2.0811117177       -2.7933571578        5.7222881878
  O         9.3443723549        2.6036426125        1.0209162942
 Al        14.1580372101        4.9479637216        7.4394923427
 Al       -10.1875233170        0.7144543188       16.0615594121
 Al        19.7935543252        5.8991079855       10.8326436569
 Al         2.5277012724       18.6240218981       -5.5544540207
 Al        12.5443486423       12.2758106389       18.2538825176
 Al         8.0340404680        2.5001650424        3.1073965949
 Al         6.7881742280       -1.0702108827        4.1323831091
 Al         4.0032435597       -6.4274614265       19.0041876673
      70
 i =      490, time =      245.000, E =      -202.9070494242
 Al        -7.2667653828        1.0822725048        8.1352676045
 Al        18.2095375665        1.0565386605        9.2235195759
 Al        20.8284862924       -2.2525587774        7.6083022773
 Al        11.3650605775        1.8822826140        1.9275289998
 Al         0.3607192171      -28.1035638839       -4.9979315143
 Al         4.5761955307      -23.7969459844      -23.0275425759
 Al         4.8808320027       -3.7247052790        5.5166441364
 Al        23.3905671501       -3.0545869975        1.9782537754
 Al       -15.6977852505      -15.0373825473        1.2157522997
 Al        -8.6336124227       -4.0502804557       10.5475727765
 Al         5.0842710154        0.7819694424       -1.6651541681
 Al         0.4327435619       16.2496716153       12.8765334904
 Al        -2.5195693581        4.7474805489       -1.8566920256
 Al         4.5853999337        2.0517086532        5.2158984280
 Al         0.4293697070        6.1981227442        2.0183019620
 Al        -6.2286277923        3.9136988564        6.5473306410
 Al       -16.4656816512        2.2476388544        8.3362719160
 Al        -3.6567072439       -6.0430272761      -20.4803500422
 Al         7.8580654608      -10.9891816336      -14.8446276099
 Al        27.0528225349       -3.1119470511       11.6779053837
 Al        -0.3475005957       -3.7840701242        0.2626590281
 Al         7.6790551850        4.3227609354        9.7627030905
 Al        -6.9423422333        6.7322581167        4.2028902586
 Al         1.9212848349       -2.4091175345        3.0560132961
 Al         9.5258790597       12.3528138596       -1.8603692630
 Al       -12.9391807624       -6.4473054660       -2.6702972665
 Al       -10.9216241802       22.5352487735        8.3871455107
 Al         3.4463942938        3.3406812247       -2.5803724912
 Al        12.0066279773       -8.6498106890      -13.2090134691
 Al        11.0899646783      -23.4308614563        4.2195256621
 Al        23.7127771979       -6.2340928270       30.3133432266
 Al         5.4916342921       -9.1914000149      -13.7010991054
 Al        16.9789808817        9.2587787804       16.0376938768
 Al         5.7100696370       -2.8597300480      -12.9277325050
 Al        11.6694442830      -27.8028416604       12.6338664405
 Al        17.4598279714      -16.7247495403       -3.6651000543
 Al        17.6805104201        4.9357499080        2.9045207846
 Al        11.9534794226       -6.3819132647       11.6148183363
 Al         8.8568704136        8.6375389404       25.8411943119
 Al         1.4653543354        0.8636987752        1.1855709946
 Al        14.9139451635        8.0276325915        6.5760635343
 Al        14.7843959553       -2.0036314285        7.2608963061
 Al         4.3831519038        7.7319466128       13.6230347077
 Al        15.8438317806        1.6220304116        5.9861462267
 Al         6.3255313189       12.1830496984      -15.9452829835
 Al        13.8274993421       18.1497896848        4.5175852989
 Al        -5.9750741702       15.7978353652      -17.5928411426
 Al        -3.3780340242       -9.5340381820       -4.9590320859
 Al        26.4281230482      -17.6753356038       21.3777964477
 Al         9.4277636285       12.1919117036      -20.1403811052
 Al        14.9375194930       -9.5951285465       13.5434303309
 Al        10.6298273195        9.2713347060      -10.0739949726
 Al        13.4380546593        8.5773514201        3.2802026944
 Al         9.8479809985      -14.4498130403        5.9927771177
 Al        14.7958544186       10.0169717446       -4.8670773131
 Al         7.9433026003       -5.8201244383        7.1577486976
  C         9.0795455676        4.3047398562        4.2944096552
  O         5.7436508854       -6.4210112122       11.5103429232
  O        10.0710378230        1.2026258509        3.8573439331
  C         6.1530301777        1.2431259685        3.4077727460
  O         2.0752862772       -2.8031927453        5.7429150719
  O         9.3625733583        2.6105562663        1.0179842387
 Al        14.1827403611        4.9593421933        7.4516811267
 Al       -10.2048281376        0.7152823727       16.0879981660
 Al        19.8325037794        5.9026026854       10.8547780934
 Al         2.5372499963       18.6594048347       -5.5629961272
 Al        12.5678278651       12.2959362595       18.2888790237
 Al         8.0446487169        2.5046846434        3.1162724819
 Al         6.8008926064       -1.0712235708        4.1392683796
 Al         4.0127167449       -6.4368434469       19.0355369818
