     289
 i =        1, E =     -3467.2015493016
  O        10.0660488663        1.3843117847        9.2267807930
  O        20.0666325127       11.2532007163        2.6554053639
  O        10.0683631822        8.4849567251        9.2266746923
  O        20.0690933972       18.3542425617        2.6556302807
  O        10.0210202192       18.3548197733        3.9152823699
  O         0.0213204592        8.4843737318       10.4863629410
  O        10.0258162685       11.2551619748        3.9156007474
  O         0.0235228470        1.3841584815       10.4867757197
  O         7.7929693600        1.4715730478       10.5296907095
  O         2.2491064397       11.3421243852        3.9560318899
  O         7.7947816034        8.3970161148       10.5269228980
  O         2.2517578711       18.2677449343        3.9573749934
  O        12.2954465536       18.2665061727        2.6140413602
  O        17.8392145600        8.3971724589        9.1850855416
  O        12.2968320348       11.3407964400        2.6134676702
  O        17.8396881593        1.4717446826        9.1852013951
  O         8.0223199462        2.7026770814        8.2185854222
  O         2.0220585639       12.5739661872        1.6466253449
  O         8.0229183968        7.1646064701        8.2201621379
  O         2.0222448705       17.0359671878        1.6484841183
  O        12.0668612435       17.0350802838        4.9229200054
  O        18.0676366307        7.1644670940       11.4949577255
  O        12.0681075973       12.5740341243        4.9243991191
  O        18.0681966950        2.7034463275       11.4944492986
  O         7.9823057637        0.0649729156        8.3098396796
  O         2.0606231432        9.9337472026        1.7387034527
  O         7.9829137049        9.8045318074        8.3102259163
  O         2.0638159280       19.6760205579        1.7377870794
  O        12.1069057733       19.6732144102        4.8320262302
  O        18.0276233348        9.8041186564       11.4032044610
  O        12.1082636894        9.9340149527        4.8325399366
  O        18.0280910770        0.0650777652       11.4031694807
  O         6.6144379440        0.7578627370       12.7829179270
  O         3.4290080202       10.6251828082        6.2088768094
  O         6.6175835254        9.1180894535       12.7707924072
  O         3.4289966940       18.9838701303        6.2057695255
  O        13.4741153041       18.9829545269        0.3639156951
  O        16.6610399063        9.1138081733        6.9349403417
  O        13.4746512459       10.6243124277        0.3633121897
  O        16.6609652354        0.7551673356        6.9347932578
  O         6.6267244372       18.8573073585       10.7107511789
  O         3.4130021092        8.9910918538        4.1399181719
  O         6.6266326649       10.7543237424       10.7086837526
  O         3.4198349046        0.8878251457        4.1373919776
  O        13.4630251486        0.8827989458        2.4321773251
  O        16.6719127427       10.7523323016        9.0031595368
  O        13.4637761287        8.9858392879        2.4318753578
  O        16.6720339176       18.8553999328        9.0031687844
  O         5.1609924315        1.3139965047       10.6589890355
  O         4.8831526116       11.1842508181        4.0874017144
  O         5.1591775757        8.5547853910       10.6559311814
  O         4.8842868930       18.4259607960        4.0859991037
  O        14.9293736728       18.4245261783        2.4845176993
  O        15.2060428901        8.5553842254        9.0555511831
  O        14.9299192373       11.1827973556        2.4847171376
  O        15.2058526123        1.3135403612        9.0554684576
  O         5.8469250355        2.5841989061        1.3871161804
  O         4.1960546884       12.4370001778        7.9534730504
  O         5.8282170914        7.3340430209        1.3202577857
  O         4.1965957385       17.1731712806        7.9517019695
  O        14.2415665104       17.1721575004       11.7607806152
  O        15.8939530368        7.3019725362        5.1892186291
  O        14.2415980606       12.4358266317       11.7602953710
  O        15.8937422742        2.5660733489        5.1895189004
  O         4.0898188147        0.9018551983        0.3569287882
  O         5.9579398456       10.7686401743        6.9273853547
  O         4.0772676931        8.9728526912        0.3528945884
  O         5.9578566602       18.8397098005        6.9260637179
  O        16.0037976161       18.8392808568       12.7865950616
  O        14.1329654654        8.9701399933        6.2155687414
  O        16.0036943877       10.7679859445       12.7864046555
  O        14.1315352769        0.8988316444        6.2154626843
  O         5.8984554060        0.0321494680        2.0553517333
  O         4.1457003531        9.8949327795        8.6289757389
  O         5.8984217294        9.8505476012        2.0588760193
  O         4.1461306713       19.7128939565        8.6288596203
  O        14.1911381029       19.7122014861       11.0844798662
  O        15.9440991329        9.8431622742        4.5134530429
  O        14.1914011585        9.8949185793       11.0845046856
  O        15.9440218736        0.0259319363        4.5133901885
  O         2.1624383576        2.5025333592        1.1545830059
  O         7.8858730545       12.3710646687        7.7260573962
  O         2.1581940525        7.3634360799        1.1548162021
  O         7.8848802387       17.2391625696        7.7242608020
  O        17.9304660434       17.2383367178       11.9883234144
  O        12.2064798020        7.3688973923        5.4181985834
  O        17.9304565569       12.3697102279       11.9878529138
  O        12.2041244980        2.4994692011        5.4169240937
  O         1.6922390450        0.7296922400       12.4188549270
  O         8.3541031694       10.5992206449        5.8479245807
  O         1.6890763999        9.1397704461       12.4156663899
  O         8.3541477199       19.0100567813        5.8443574403
  O        18.3998518390       19.0096085857        0.7260065651
  O        11.7361537753        9.1404788975        7.2970499468
  O        18.3991460224       10.5976360450        0.7252911551
  O        11.7353769282        0.7286779056        7.2965580572
  O         2.6102218635        1.5518023162       10.0771133871
  O         7.4354756860       11.4226234371        3.5061062515
  O         2.6085173941        8.3172477188       10.0769584593
  O         7.4343999554       18.1877501626        3.5049705639
  O        17.4810754356       18.1869031427        3.0651073110
  O        12.6555649778        8.3173235208        9.6368258634
  O        17.4802896244       11.4205105306        3.0654095724
  O        12.6543519274        1.5513708584        9.6362854232
  O         1.4686036671       18.9242313301       10.2899187197
  O         8.5795818363        9.0619555285        3.7210719166
  O         1.4678418140       10.6847268999       10.2895652238
  O         8.5749485366        0.8188535776        3.7169860914
  O        18.6225778541        0.8158265476        2.8524989483
  O        11.5135445111       10.6849895348        9.4235529653
  O        18.6217743475        9.0527952832        2.8523583189
  O        11.5130133467       18.9233394842        9.4234624239
  O         4.4230538022        2.5950973881        8.4875525272
  O         5.6211422880       12.4687009799        1.9143569153
  O         4.4227603413        7.2720742600        8.4886377813
  O         5.6220475441       17.1448359262        1.9178658044
  O        15.6669891312       17.1424801381        4.6541961488
  O        14.4685168453        7.2723670308       11.2259195215
  O        15.6669175710       12.4655277457        4.6549062423
  O        14.4682210430        2.5957207463       11.2254520945
  O         9.8697294763       16.8771830224        9.4273511313
  O         0.1755128401        7.0059170557        2.8556596511
  O         9.8702133280       12.7309615531        9.4273726544
  O         0.1791803741        2.8621278877        2.8561872568
  O        10.2149884763        2.8595370154        3.7135988289
  O        19.9143682685       12.7308531456       10.2856994576
  O        10.2323025961        7.0060079117        3.7171482337
  O        19.9155974960       16.8772917442       10.2857081963
  O         7.3945917977       16.4003518183       10.1822764422
  O         2.6415038069        6.5225066486        3.6041003951
  O         7.3956240901       13.2088784739       10.1814478808
  O         2.6549459661        3.3401451375        3.6091938873
  O        12.6945580790        3.3378959919        2.9600023743
  O        17.4403535857       13.2081424588        9.5313717785
  O        12.6970166236        6.5297378154        2.9593210868
  O        17.4403540820       16.3995462156        9.5312894352
  O         8.5621495469       14.8056559560        8.4466646259
  O         1.4864414211        4.9295596132        1.8742266879
  O        11.5285176766        4.9300822144        4.6955426573
  O        18.6072026260       14.8046199553       11.2664152016
  O         6.4691861656       17.0008289734       12.5690983415
  O         3.5714711912        7.1283272995        6.0055108116
  O         6.4688533035       12.6087098723       12.5688952542
  O         3.5760671459        2.7370345135        5.9930498968
  O        13.6208755224        2.7380664988        0.5730413641
  O        16.5141897726       12.6076635034        7.1439166409
  O        13.6215157768        7.1300847711        0.5722005466
  O        16.5142700872       16.9999247530        7.1440473224
  O         4.8370731619       16.9384473101       10.5056392971
  O         5.1517008012        7.0829119420        3.9819012946
  O         4.8359395781       12.6705865559       10.5049399171
  O         5.2150537385        2.8103279316        3.9244299336
  O        15.2535626039        2.8002914139        2.6366642723
  O        14.8818818822       12.6697897940        9.2076637743
  O        15.2543618937        7.0679676149        2.6368931892
  O        14.8819196500       16.9377801889        9.2075739617
  O         5.9202654548       14.8069402207        0.7645964854
  O         4.1241706565        4.9283922600        7.3358578745
  O        14.1698439671        4.9333048771       12.3773060146
  O        15.9654816813       14.8044823440        5.8063119986
  O         3.9712217479       16.4126664184       -0.0009766831
  O         6.0730989103        6.5399076234        6.5729009166
  O         3.9702940164       13.1964035083       -0.0014694346
  O         6.0725134744        3.3245266701        6.5679576590
  O        16.1196376198        3.3260946834       13.1433012931
  O        14.0166859571       13.1959263541        6.5722717995
  O        16.1195514425        6.5420431763       13.1431941690
  O        14.0162094092       16.4119556679        6.5721211661
  O         1.8955506686       14.8057983924        0.2710774601
  O         8.1490045806        4.9281204069        6.8425565891
  O        18.1948375096        4.9331969914       12.8710694359
  O        11.9407589988       14.8049611618        6.2999773222
  O         1.6225094622       17.1176786647       12.1970993513
  O         8.4234719644        7.2467451842        5.6358042114
  O         1.6222049172       12.4906939472       12.1969321702
  O         8.4215678001        2.6199031890        5.6218924359
  O        18.4686852477        2.6207406398        0.9458040006
  O        11.6677888036       12.4907173102        7.5159439631
  O        18.4677197245        7.2472803992        0.9447814533
  O        11.6672564864       17.1173384057        7.5161304191
  O         2.3581026657       16.5159955182        9.7308338558
  O         7.7554208447        6.6485671418        3.1835139066
  O         2.3579755316       13.0924152705        9.7307878201
  O         7.6685809044        3.2338887553        3.1514689668
  O        17.7333018081        3.2222332155        3.4107912416
  O        12.4038631339       13.0923685364        9.9825327803
  O        17.7321344122        6.6456927596        3.4111989255
  O        12.4030449004       16.5156160204        9.9822087804
  O         4.2570568369       14.8059008291        9.0804249991
  O         5.7511135357        4.8624357563        2.4795347405
  O        15.8331932383        4.9331661843        4.0615537536
  O        14.3022470210       14.8045183376       10.6326094475
 Si         8.4762063506        1.4057817824        9.0606471419
 Si         1.5724476087       11.2728213606        2.4923331391
 Si         8.4732884914        8.4634979984        9.0615412392
 Si         1.5686198084       18.3292147786        2.4907366125
 Si        11.6171231275       18.3316089114        4.0805009389
 Si        18.5201857821        8.4643642673       10.6506647551
 Si        11.6122241656       11.2728859316        4.0797760589
 Si        18.5180896774        1.4054906764       10.6509420415
 Si         6.5476178696        0.6635379233       11.1691791522
 Si         3.5011303163       10.5293609177        4.6012319908
 Si         6.5469517645        9.2030931048       11.1805829284
 Si         3.4978605235       19.0681603780        4.6047928448
 Si        13.5439334480       19.0726026688        1.9678332391
 Si        16.5909969985        9.2035892670        8.5387370311
 Si        13.5422917095       10.5341619494        1.9684956925
 Si        16.5907972639        0.6650195105        8.5389176092
 Si         5.6094620702        1.0420274457        0.8575099067
 Si         4.4349214515       10.9247642907        7.4323329104
 Si         5.6164467619        8.7884639933        0.8735338660
 Si         4.4348349679       18.6783540068        7.4354509745
 Si        14.4790926455       18.6798504901       12.2783484239
 Si        15.6545343850        8.8118912325        5.7078845709
 Si        14.4786759748       10.9261457877       12.2790603212
 Si        15.6555093505        1.0578020126        5.7076509439
 Si         2.4965095805        1.0095311394        0.6286471090
 Si         7.5442335459       10.8811698572        7.1987368055
 Si         2.5089344158        8.8592701951        0.6295726124
 Si         7.5447270241       18.7220103844        7.2022966028
 Si        17.5882903460       18.7228171241       12.5114459238
 Si        12.5440940315        8.8539269853        5.9398787758
 Si        17.5888799259       10.8831037285       12.5121668283
 Si        12.5464054411        1.0147914216        5.9409415800
 Si         1.4448817852        0.7130300743       10.8173605969
 Si         8.5961987329       10.5760804728        4.2458254757
 Si         1.4481367830        9.1550650741       10.8201542729
 Si         8.6001533277       19.0208061229        4.2501359216
 Si        18.6417838476       19.0230673586        2.3221401108
 Si        11.4901729261        9.1544544761        8.8926061714
 Si        18.6442011073       10.5838379364        2.3225645706
 Si        11.4927227488        0.7137775774        8.8934282216
 Si         4.0840254143        1.3582636773        9.4530094919
 Si         5.9612840839       11.2197700666        2.8822874993
 Si         4.0866459688        8.5111736535        9.4543534437
 Si         5.9610110169       18.3735460133        2.8848199597
 Si        16.0046668978       18.3788301200        3.6878652506
 Si        14.1286714439        8.5107877257       10.2580200490
 Si        16.0049373924       11.2271606094        3.6870753502
 Si        14.1297887334        1.3588592614       10.2586300805
 Si         8.4310323072       16.3280370806        8.9430722579
 Si         1.6135578413        6.4724222029        2.3769582517
 Si         8.4293588639       13.2735756779        8.9428532473
 Si         1.6044536501        3.4070506449        2.3719876227
 Si        11.6623512662        3.4122007053        4.2001569418
 Si        18.4753564084       13.2750853726       10.7696573316
 Si        11.6524474842        6.4669050151        4.1968819689
 Si        18.4747019769       16.3292289732       10.7697843332
 Si         6.3375544421       17.2970582998       10.9866363185
 Si         3.7393518315        7.4328703090        4.4125042058
 Si         6.3379543792       12.3041894052       10.9875809946
 Si         3.6977092997        2.4321897053        4.4258643083
 Si        13.7524737754        2.4387175233        2.1548972315
 Si        16.3822264442       12.3065525325        8.7258781882
 Si        13.7504356173        7.4311853721        2.1559892727
 Si        16.3821318028       17.2992745141        8.7258344094
 Si         5.4924754950       16.3343189916        0.5359781269
 Si         4.5537256246        6.4767472201        7.1018031306
 Si         5.4930610303       13.2639098693        0.5387434144
 Si         4.5535967092        3.4055313653        7.1117235101
 Si        14.5970919562        3.4006566171       12.6048172227
 Si        15.5368427174       13.2673323905        6.0339120352
 Si        14.5967217075        6.4710833156       12.6052386873
 Si        15.5371949783       16.3373944023        6.0341452647
 Si         2.3769477208       16.3396165146        0.2430590676
 Si         7.6684359164        6.4813331258        6.8077394686
 Si         2.3782271766       13.2618789480        0.2444630177
 Si         7.6698398133        3.4018710168        6.8176414484
 Si        17.7115068133        3.3968124540       12.8976447042
 Si        12.4214809713       13.2625759471        6.3265049493
 Si        17.7120300547        6.4752490415       12.8979419366
 Si        12.4222108262       16.3408309536        6.3274748903
 Si         1.3160269019       17.3546348662       10.6253163942
 Si         8.7071876159        7.4733548725        4.0368186741
 Si         1.3172695363       12.2495245389       10.6255684026
 Si         8.7394341292        2.3782016486        4.0626704477
 Si        18.7697203380        2.3811939283        2.5162282230
 Si        11.3608477503       12.2492937883        9.0873276080
 Si        18.7727201829        7.4890123858        2.5167543331
 Si        11.3619118464       17.3555784294        9.0873880655
 Si         3.9102498297       16.3544537455        9.3165137277
 Al         6.1697785269        6.5767811147        2.7690169320
 Si         3.9109831191       13.2467903265        9.3161048641
 Si         6.1622273566        3.3110971184        2.7652738935
 Si        16.1783841599        3.3820054122        3.8259486323
 Si        13.9546781894       13.2485237704       10.3965886389
 Si        16.1787566925        6.4899396398        3.8255406099
 Si        13.9552998425       16.3561398270       10.3965676659
  H         4.9811903468        5.0115723167        1.9483328002
     289
 i =        2, E =     -3467.2539957461
  O        10.0736362524        1.3918134126        9.2332957501
  O        20.0618876043       11.2621588149        2.6617610094
  O        10.0733412094        8.4763509188        9.2334763099
  O        20.0617432749       18.3476598738        2.6622249938
  O        10.0167266559       18.3472098291        3.9078894539
  O         0.0281987358        8.4767655210       10.4798138376
  O        10.0139267103       11.2629500116        3.9101731857
  O         0.0278784540        1.3930705314       10.4804762596
  O         7.8097712082        1.4788607172       10.5366679854
  O         2.2357678271       11.3485451285        3.9651042439
  O         7.8095802119        8.3917419060       10.5333116343
  O         2.2358397480       18.2628619718        3.9636906835
  O        12.2795679479       18.2610352333        2.6067205617
  O        17.8537022450        8.3914559398        9.1775677122
  O        12.2813978784       11.3474887802        2.6069660527
  O        17.8546033774        1.4771918231        9.1772096147
  O         8.0166445790        2.7148222778        8.2313451861
  O         2.0260897657       12.5879364577        1.6616541421
  O         8.0168691190        7.1470219983        8.2332560090
  O         2.0286895279       17.0224964246        1.6606627349
  O        12.0716575877       17.0215362280        4.9097901910
  O        18.0625748250        7.1509087685       11.4798938841
  O        12.0734363192       12.5869552068        4.9082690650
  O        18.0635062295        2.7166082323       11.4808056687
  O         7.9904807969        0.0667323289        8.3059982223
  O         2.0493760376        9.9352392442        1.7351371629
  O         7.9915428942        9.8043500802        8.3064104792
  O         2.0550138131       19.6714294796        1.7390857001
  O        12.0975110792       19.6721200661        4.8356991111
  O        18.0356548916        9.8031567475       11.4071453418
  O        12.1006994234        9.9364693511        4.8359329728
  O        18.0368690479        0.0660970872       11.4075036277
  O         6.6286801423        0.7495448960       12.7822688057
  O         3.4182076497       10.6158441391        6.2137486212
  O         6.6244102338        9.1361755262       12.7858227173
  O         3.4200039829       18.9960198403        6.2142187458
  O        13.4640701817       18.9940234537        0.3573231081
  O        16.6709884066        9.1246249425        6.9278968845
  O        13.4644411493       10.6132498880        0.3576968952
  O        16.6708222891        0.7443079387        6.9279679373
  O         6.6327445506       18.8544214225       10.6945047338
  O         3.3979195398        8.9896171975        4.1242719635
  O         6.6325413482       10.7524611514       10.6881677398
  O         3.4169767682        0.8805582941        4.1169018781
  O        13.4566203363        0.8828895052        2.4499910141
  O        16.6779927077       10.7521094960        9.0209597273
  O        13.4582990460        8.9864647725        2.4492932892
  O        16.6782397281       18.8551305328        9.0208919914
  O         5.1506825156        1.3241853959       10.6680046315
  O         4.8945181927       11.1973388445        4.0943902305
  O         5.1518056828        8.5455081601       10.6644203563
  O         4.8947826628       18.4190427554        4.0932647483
  O        14.9390200720       18.4150532877        2.4763103778
  O        15.1960397478        8.5455902451        9.0481358676
  O        14.9386455401       11.1921479275        2.4758120397
  O        15.1957344115        1.3232662605        9.0475477918
  O         5.8422936492        2.5849020017        1.3468394606
  O         4.1907818997       12.4485584418        7.9283398660
  O         5.8128337033        7.2840016559        1.2484436867
  O         4.1895873939       17.1585995162        7.9295556354
  O        14.2350752523       17.1584987365       11.7836629354
  O        15.9001181579        7.2893551781        5.2135939091
  O        14.2357347596       12.4488582122       11.7840994838
  O        15.9000945891        2.5790242101        5.2128284981
  O         4.0861322323        0.9069294882        0.3484771104
  O         5.9584125098       10.7707890301        6.9185733037
  O         4.0891433237        8.9792848456        0.3419302711
  O         5.9578776956       18.8392877057        6.9161195142
  O        16.0018731925       18.8383069602       12.7959693342
  O        14.1314745431        8.9690173107        6.2249968171
  O        16.0017137270       10.7695152585       12.7953549087
  O        14.1320988846        0.9000400345        6.2247060702
  O         5.9031609370        0.0369502686        2.0741468897
  O         4.1431579354        9.9041864834        8.6387017229
  O         5.8983349656        9.8375119394        2.0607544265
  O         4.1442170969       19.7044452936        8.6378553997
  O        14.1887704485       19.7049218667       11.0741958912
  O        15.9466870354        9.8356422228        4.5032258881
  O        14.1894302842        9.9023601346       11.0741937298
  O        15.9464275179        0.0333565085        4.5029240026
  O         2.1673566552        2.5125767776        1.1420412359
  O         7.8853293237       12.3798309243        7.7124050635
  O         2.1597220014        7.3546583130        1.1369090161
  O         7.8858665505       17.2277030791        7.7133323705
  O        17.9315011917       17.2275695317       11.9998209464
  O        12.2089150884        7.3556490502        5.4310889597
  O        17.9305433804       12.3803532298       12.0001764826
  O        12.2014404713        2.5096736024        5.4271344145
  O         1.6687681277        0.7261575716       12.4157045598
  O         8.3785185280       10.5968876260        5.8464931778
  O         1.6649448510        9.1420281588       12.4204326619
  O         8.3758820737       19.0142358758        5.8473456981
  O        18.4224827038       19.0127180597        0.7224803948
  O        11.7143197730        9.1439742039        7.2943129809
  O        18.4214157889       10.5944522048        0.7228746256
  O        11.7123760742        0.7257745962        7.2933770685
  O         2.6010437491        1.5704223613       10.0694743390
  O         7.4451849428       11.4430849590        3.4983170926
  O         2.6003772588        8.2981197964       10.0667948236
  O         7.4451626013       18.1714716694        3.4956123351
  O        17.4893842407       18.1679775868        3.0749034952
  O        12.6448377555        8.2990660894        9.6455943742
  O        17.4892174991       11.4391996073        3.0747474324
  O        12.6449313986        1.5702361141        9.6454691343
  O         1.4814183470       18.9235541594       10.2862408762
  O         8.5709066052        9.0520447291        3.7179703606
  O         1.4797227875       10.6832817401       10.2851529959
  O         8.5584939093        0.8184555148        3.7106273551
  O        18.6113818831        0.8126658863        2.8567953637
  O        11.5265700406       10.6823683125        9.4275949836
  O        18.6088925628        9.0561547479        2.8562070680
  O        11.5248975127       18.9246548577        9.4275359623
  O         4.4263495138        2.6012191105        8.4983757234
  O         5.6189504575       12.4742215629        1.9323745220
  O         4.4264189204        7.2614265206        8.5008029945
  O         5.6180280178       17.1377331991        1.9258917873
  O        15.6637190741       17.1348276584        4.6431033538
  O        14.4719064639        7.2650792233       11.2132095203
  O        15.6640144003       12.4730937155        4.6426120889
  O        14.4714947220        2.6029805183       11.2140242981
  O         9.8663337687       16.8848764381        9.4396692467
  O         0.1699842783        7.0124683290        2.8681654586
  O         9.8679773753       12.7258444723        9.4399869602
  O         0.1725395573        2.8502043349        2.8706998237
  O        10.2216523274        2.8557195546        3.6978439717
  O        19.9124927402       12.7248462462       10.2733268147
  O        10.2276680618        7.0219568076        3.7096915185
  O        19.9114101714       16.8842273741       10.2733579095
  O         7.4026738218       16.3872714398       10.1872771149
  O         2.6452180237        6.5094236888        3.6189404814
  O         7.4016020547       13.2241144155       10.1887455418
  O         2.6546320586        3.3555676668        3.6102011906
  O        12.6859856326        3.3505737704        2.9538277116
  O        17.4465723114       13.2225017713        9.5246676227
  O        12.6905160594        6.5129744121        2.9553113169
  O        17.4471293300       16.3862228224        9.5248295962
  O         8.5591235397       14.8031903166        8.4346309780
  O         1.4949208501        4.9354426037        1.8604721811
  O        11.5321784674        4.9339757338        4.7079833991
  O        18.6041715993       14.8035817106       11.2785489427
  O         6.4815087801       17.0082735996       12.5811648139
  O         3.5447468479        7.1349919929        6.0184628717
  O         6.4817412699       12.6050347407       12.5790466887
  O         3.5678127524        2.7332403564        6.0103974207
  O        13.6081103966        2.7319381939        0.5620868091
  O        16.5269763846       12.6024690310        7.1329854690
  O        13.6088954166        7.1359447571        0.5622305888
  O        16.5268420432       17.0059187663        7.1325912996
  O         4.8291160674       16.9363527174       10.5125324913
  O         5.1778118856        7.0789416712        4.0230292711
  O         4.8301369256       12.6759949900       10.5137282390
  O         5.2006007106        2.8143161309        3.9494667849
  O        15.2604980027        2.8033455066        2.6288506440
  O        14.8745951593       12.6742866840        9.2001560455
  O        15.2601410306        7.0642699055        2.6277349102
  O        14.8741439354       16.9343968177        9.2003637599
  O         5.9394487581       14.8032043916        0.7740853932
  O         4.1053391083        4.9353898910        7.3455245070
  O        14.1508035385        4.9344434830       12.3678194569
  O        15.9847634222       14.8035752641        5.7968581828
  O         3.9746922121       16.4227282027       -0.0082165090
  O         6.0740378634        6.5418472709        6.5670348777
  O         3.9748262659       13.1914974778       -0.0098473918
  O         6.0716008654        3.3126332483        6.5570954282
  O        16.1148274751        3.3176497184       13.1513020738
  O        14.0189778164       13.1895777238        6.5806044096
  O        16.1147764479        6.5483036379       13.1510098995
  O        14.0189609970       16.4205017481        6.5798779726
  O         1.8725413089       14.8028585189        0.2744147004
  O         8.1712301624        4.9366466980        6.8456161016
  O        18.2180689735        4.9344378754       12.8679625475
  O        11.9180370590       14.8034130425        6.2967759499
  O         1.6128750289       17.1298467803       12.2062426421
  O         8.4433672924        7.2637983333        5.6371899927
  O         1.6114810150       12.4808935860       12.2052770896
  O         8.4261946446        2.6100035561        5.6304276673
  O        18.4795424055        2.6099596421        0.9360556405
  O        11.6576391696       12.4803093761        7.5083312864
  O        18.4781392311        7.2575898243        0.9365566902
  O        11.6570804527       17.1289224235        7.5069279559
  O         2.3488111387       16.5040957232        9.7238803248
  O         7.8120594851        6.5915556369        3.1630057644
  O         2.3479182279       13.1067191807        9.7243493922
  O         7.7141991292        3.2532620328        3.1572855309
  O        17.7419669515        3.2354914809        3.4184905922
  O        12.3927535783       13.1055498111        9.9883678494
  O        17.7416486652        6.6316757444        3.4178862507
  O        12.3930906683       16.5031725298        9.9889150911
  O         4.2699582551       14.8035026879        9.0677721223
  O         5.7357529540        4.8293639428        2.4477026047
  O        15.8205568664        4.9342851330        4.0741515420
  O        14.3152468337       14.8034190185       10.6452331851
 Si         8.4806119294        1.4097387703        9.0562099636
 Si         1.5678646510       11.2760894089        2.4876096887
 Si         8.4776371005        8.4591834050        9.0564664492
 Si         1.5640382241       18.3256254282        2.4842628172
 Si        11.6133886682       18.3268312725        4.0857868563
 Si        18.5255915400        8.4598151096       10.6560980608
 Si        11.6085606747       11.2771464185        4.0853962835
 Si        18.5230795252        1.4102698657       10.6564428741
 Si         6.5500486928        0.6661642085       11.1694860777
 Si         3.4958343543       10.5311752691        4.6014924995
 Si         6.5488381886        9.2008211642       11.1790558799
 Si         3.4941012673       19.0663139210        4.6042262157
 Si        13.5414524763       19.0700323286        1.9677794038
 Si        16.5946641013        9.2006566109        8.5389591853
 Si        13.5397421423       10.5369471760        1.9687997351
 Si        16.5942327390        0.6676046443        8.5392396912
 Si         5.6091893349        1.0500446480        0.8545067229
 Si         4.4313932838       10.9289508860        7.4319621793
 Si         5.6086066527        8.8283438028        0.8489206654
 Si         4.4326474393       18.6743215123        7.4356077461
 Si        14.4774101907       18.6754564166       12.2789669573
 Si        15.6568052284        8.8072929677        5.7086485267
 Si        14.4773241250       10.9305869571       12.2797523710
 Si        15.6581921098        1.0622587261        5.7083357828
 Si         2.4953042430        1.0141247048        0.6266075559
 Si         7.5443581313       10.8836518398        7.1968713663
 Si         2.5067664881        8.8567270899        0.6262025097
 Si         7.5447110006       18.7199177839        7.2000679526
 Si        17.5892728953       18.7209795533       12.5143769683
 Si        12.5437091341        8.8511936820        5.9429242428
 Si        17.5900860496       10.8847914069       12.5152458244
 Si        12.5465808191        1.0161115977        5.9444287654
 Si         1.4439781338        0.7156948532       10.8180754290
 Si         8.5983398375       10.5830843317        4.2479672992
 Si         1.4474959388        9.1517990231       10.8215766409
 Si         8.6009181130       19.0170961545        4.2512483830
 Si        18.6427048276       19.0209785181        2.3214935438
 Si        11.4893118955        9.1516754920        8.8921337814
 Si        18.6457402042       10.5861314760        2.3221679116
 Si        11.4920596375        0.7161027591        8.8933866259
 Si         4.0802015815        1.3605988060        9.4499621936
 Si         5.9637799964       11.2264228862        2.8803418213
 Si         4.0822599551        8.5086047512        9.4503724318
 Si         5.9637399409       18.3717281784        2.8807754658
 Si        16.0084135654       18.3765520324        3.6917140691
 Si        14.1257157701        8.5086012688       10.2615761731
 Si        16.0089102497       11.2291015259        3.6907602876
 Si        14.1267455155        1.3611482815       10.2624332732
 Si         8.4344218616       16.3290330376        8.9447569312
 Si         1.6054922929        6.4753193644        2.3796595906
 Si         8.4321283100       13.2714421255        8.9448316823
 Si         1.5989107601        3.4064704836        2.3735286645
 Si        11.6619406360        3.4119262983        4.1987558415
 Si        18.4787883245       13.2729822880       10.7682142007
 Si        11.6519915114        6.4698440661        4.1967214820
 Si        18.4779844724       16.3304982482       10.7683115307
 Si         6.3392948562       17.2931193624       10.9901969335
 Si         3.6708497280        7.4472141074        4.4406927818
 Si         6.3399887786       12.3074025399       10.9905080929
 Si         3.6931276007        2.4374777164        4.4297280048
 Si        13.7514877872        2.4422196609        2.1508843133
 Si        16.3848958390       12.3102924674        8.7226085682
 Si        13.7486107852        7.4269279666        2.1529728376
 Si        16.3845188351       17.2954076574        8.7224185432
 Si         5.4945018699       16.3315506518        0.5405848920
 Si         4.5449664265        6.4768096399        7.1062166276
 Si         5.4953256063       13.2657937579        0.5429391160
 Si         4.5506986875        3.4084685321        7.1185483352
 Si        14.5952598721        3.4031456048       12.5996131015
 Si        15.5396849992       13.2692437726        6.0286797422
 Si        14.5949582502        6.4690861435       12.6002039765
 Si        15.5401228783       16.3348402060        6.0289799808
 Si         2.3748563658       16.3368665543        0.2459678571
 Si         7.6699349367        6.4796337208        6.8143717476
 Si         2.3762668875       13.2632443715        0.2475474981
 Si         7.6689978366        3.4042455678        6.8235839509
 Si        17.7140290001        3.3997635207       12.8947147618
 Si        12.4201242038       13.2645554665        6.3234210222
 Si        17.7146809987        6.4731821777       12.8949984644
 Si        12.4208452783       16.3381419244        6.3247372619
 Si         1.3174259928       17.3514205878       10.6284097117
 Si         8.7541256527        7.5000727421        4.0724166764
 Si         1.3187697853       12.2522215812       10.6281467719
 Si         8.7392886370        2.3827110915        4.0677346161
 Si        18.7695504612        2.3853379851        2.5132209559
 Si        11.3623556408       12.2527279406        9.0847427649
 Si        18.7724030627        7.4851539124        2.5139510620
 Si        11.3635278495       17.3519801952        9.0846115689
 Si         3.9065662054       16.3521543092        9.3110536087
 Al         6.2071956584        6.6673332917        2.7871036464
 Si         3.9075036346       13.2478998286        9.3104961934
 Si         6.1728607072        3.2133638751        2.7703427887
 Si        16.1825427873        3.3844817712        3.8317238290
 Si        13.9516665027       13.2500164407       10.4021921436
 Si        16.1827666790        6.4886494280        3.8310773922
 Si        13.9522481363       16.3540457419       10.4022698669
  H         4.9256148520        4.9991807349        1.9040281214
     289
 i =        3, E =     -3467.2770980027
  O        10.0806694080        1.4007296512        9.2392026496
  O        20.0567528723       11.2719962928        2.6678945313
  O        10.0786883584        8.4669702133        9.2391884789
  O        20.0550434145       18.3389435360        2.6680125871
  O        10.0125919467       18.3381626203        3.9015212637
  O         0.0358934645        8.4680309418       10.4738112405
  O        10.0083089953       11.2737066758        3.9038523517
  O         0.0335580107        1.4026633145       10.4744406521
  O         7.8168674416        1.4780426187       10.5444866140
  O         2.2308689420       11.3481186226        3.9747079562
  O         7.8139179329        8.3943334088       10.5417417281
  O         2.2278015087       18.2631186256        3.9701945697
  O        12.2737641826       18.2622723778        2.5977759808
  O        17.8607264790        8.3921429177        9.1701044237
  O        12.2740712394       11.3470039267        2.6000517992
  O        17.8611826925        1.4762115135        9.1688553828
  O         8.0111793165        2.7288419613        8.2432896274
  O         2.0314058766       12.6017899855        1.6745386637
  O         8.0118903319        7.1337506958        8.2478781592
  O         2.0354845079       17.0056720239        1.6698974420
  O        12.0778741026       17.0043460999        4.9004801372
  O        18.0568367651        7.1357910011       11.4682786996
  O        12.0790676694       12.6017346675        4.8962168596
  O        18.0573949363        2.7329391299       11.4708661466
  O         7.9967560328        0.0707161625        8.3025682701
  O         2.0431019312        9.9375673493        1.7313433286
  O         7.9981994820        9.8009630255        8.3027913558
  O         2.0492775525       19.6689228864        1.7344258055
  O        12.0911374748       19.6680135484        4.8393547542
  O        18.0422854887        9.7985205039       11.4099607783
  O        12.0941379656        9.9404081869        4.8395518641
  O        18.0433843306        0.0705197153       11.4107316449
  O         6.6360219627        0.7403479550       12.7842984137
  O         3.4118017944       10.6059090394        6.2137409232
  O         6.6372600062        9.1602964630       12.7741404970
  O         3.4157865532       19.0064176207        6.2167170640
  O        13.4592336975       19.0039111971        0.3546529988
  O        16.6762838748        9.1347553670        6.9259169240
  O        13.4594047535       10.6031636161        0.3556518498
  O        16.6761565539        0.7341462486        6.9263489770
  O         6.6346248170       18.8532942572       10.6790350930
  O         3.3778132694        9.0069032269        4.1078886576
  O         6.6337784194       10.7509699885       10.6702699558
  O         3.4173841573        0.8780363724        4.0997948213
  O        13.4547696686        0.8817785770        2.4657742023
  O        16.6800416685       10.7506769057        9.0368566022
  O        13.4567111285        8.9872756892        2.4655849502
  O        16.6802682826       18.8555513442        9.0367314461
  O         5.1450990733        1.3309518549       10.6775334888
  O         4.8954615647       11.2045601391        4.1055955746
  O         5.1482576048        8.5397498228       10.6733809896
  O         4.8990964486       18.4146776565        4.1031796951
  O        14.9436530548       18.4085104592        2.4668822328
  O        15.1929961216        8.5393682557        9.0379796079
  O        14.9431433988       11.1986363106        2.4664684274
  O        15.1922153965        1.3295169833        9.0373863261
  O         5.8399629953        2.5637614482        1.3117221689
  O         4.1864978751       12.4579924747        7.9194575316
  O         5.7971900352        7.2618754284        1.2040925248
  O         4.1848107787       17.1472643882        7.9221336511
  O        14.2305350249       17.1479352129       11.7915298308
  O        15.9047005908        7.2792280501        5.2219227616
  O        14.2313715092       12.4589153253       11.7925676505
  O        15.9048391022        2.5896702796        5.2203826008
  O         4.0827610398        0.9058654266        0.3445106524
  O         5.9564989121       10.7704468806        6.9144440597
  O         4.0711618126        8.9949369964        0.3286829911
  O         5.9571881150       18.8400446028        6.9114211555
  O        16.0027598331       18.8389929806       12.8004220405
  O        14.1320594823        8.9700650190        6.2291722859
  O        16.0033578839       10.7690308581       12.7995674737
  O        14.1338437413        0.8993549273        6.2289731433
  O         5.9064191109        0.0495755979        2.0849917991
  O         4.1405749840        9.9121878789        8.6486437758
  O         5.9005713915        9.8367017185        2.0762604901
  O         4.1426188947       19.6968702595        8.6481253395
  O        14.1872148890       19.6965904286       11.0647781449
  O        15.9487032924        9.8271833118        4.4938854293
  O        14.1882831539        9.9106383321       11.0646327260
  O        15.9482096692        0.0415191278        4.4933761671
  O         2.1693849206        2.5246798127        1.1330648293
  O         7.8838569840       12.3887759013        7.6994918811
  O         2.1598805725        7.3460806577        1.1236296588
  O         7.8853681606       17.2163353019        7.7025553469
  O        17.9308502037       17.2173813677       12.0113114514
  O        12.2132960917        7.3450721259        5.4453288448
  O        17.9291644127       12.3896487622       12.0126864411
  O        12.2018899724        2.5173048174        5.4391016066
  O         1.6605027537        0.7260563035       12.4207420251
  O         8.3862283492       10.5966252815        5.8504598214
  O         1.6559708850        9.1426190998       12.4235686091
  O         8.3841939034       19.0139548833        5.8515782629
  O        18.4311191042       19.0126850189        0.7198213464
  O        11.7053803866        9.1441353963        7.2910291116
  O        18.4306120641       10.5942862181        0.7213270575
  O        11.7036260822        0.7255793322        7.2913848372
  O         2.5924393729        1.5807407740       10.0598123749
  O         7.4525328047       11.4532764743        3.4882913849
  O         2.5917787729        8.2883408398       10.0556485916
  O         7.4527099991       18.1613035077        3.4829634739
  O        17.4975913743       18.1574938257        3.0860547411
  O        12.6366211499        8.2889557429        9.6565591149
  O        17.4985068743       11.4491605702        3.0852550997
  O        12.6377737783        1.5808299849        9.6568584950
  O         1.4916416357       18.9232607658       10.2860438069
  O         8.5597003295        9.0702222919        3.7176968766
  O         1.4899450954       10.6810304997       10.2843642651
  O         8.5457914052        0.8128176028        3.7086374056
  O        18.6015994558        0.8132835362        2.8576794668
  O        11.5368247415       10.6819751430        9.4281130693
  O        18.5989242802        9.0557410246        2.8568237621
  O        11.5349538429       18.9237088702        9.4282557376
  O         4.4325714582        2.6113622719        8.5075984046
  O         5.6130634070       12.4872498437        1.9425995386
  O         4.4322301637        7.2498249235        8.5125121144
  O         5.6107861488       17.1260869701        1.9312955128
  O        15.6573585918       17.1225502851        4.6347525262
  O        14.4784765509        7.2534743526       11.2034708323
  O        15.6581465070       12.4845025980        4.6326016658
  O        14.4780806661        2.6149626589       11.2055230791
  O         9.8626357592       16.8919234815        9.4520308726
  O         0.1732022775        7.0161617023        2.8832578398
  O         9.8645634432       12.7208484349        9.4528793975
  O         0.1780213154        2.8436894307        2.8860786877
  O        10.2340506940        2.8530978366        3.6830212002
  O        19.9103219503       12.7188250547       10.2606229818
  O        10.2614661642        7.0333777440        3.7042837512
  O        19.9074151716       16.8907674896       10.2608886314
  O         7.4075024476       16.3751926154       10.1948851886
  O         2.6310773096        6.4937625184        3.6242022067
  O         7.4052463088       13.2371686093       10.1981392548
  O         2.6496007285        3.3688293438        3.6096526304
  O        12.6831500461        3.3614783477        2.9434701631
  O        17.4513794443       13.2354105778        9.5167503453
  O        12.6870887069        6.4991099850        2.9486185304
  O        17.4519966726       16.3737788111        9.5169590794
  O         8.5586932638       14.8006884240        8.4176338929
  O         1.4969758776        4.9405870059        1.8431274658
  O        11.5331524022        4.9401416032        4.7256059978
  O        18.6038197496       14.8020260919       11.2955889268
  O         6.4942996605       17.0120621641       12.5916958414
  O         3.5111374681        7.1384304037        6.0457139752
  O         6.4962480134       12.6012959166       12.5885893995
  O         3.5554508333        2.7296128614        6.0246460731
  O        13.5950679949        2.7285295563        0.5512120004
  O        16.5410416541       12.5987495051        7.1233988475
  O        13.5952646606        7.1401435232        0.5533405886
  O        16.5404500773       17.0095757722        7.1226014317
  O         4.8244666967       16.9336043993       10.5145888311
  O         5.1652094805        7.0898887424        4.0710303785
  O         4.8274136699       12.6813388044       10.5169534687
  O         5.1903938796        2.8004136551        3.9779445809
  O        15.2655823140        2.8072957556        2.6271033428
  O        14.8719988590       12.6785628676        9.1970787661
  O        15.2643354442        7.0601222193        2.6252085598
  O        14.8707443342       16.9308567229        9.1976481213
  O         5.9558107648       14.7997231542        0.7845099689
  O         4.0887958453        4.9406197970        7.3561086196
  O        14.1347078751        4.9357874534       12.3575755050
  O        16.0011957885       14.8021885322        5.7866735814
  O         3.9751744105       16.4317222131       -0.0115325170
  O         6.0691381458        6.5434093360        6.5665728092
  O         3.9757692078       13.1870285612       -0.0139636645
  O         6.0678326717        3.3020696410        6.5540117672
  O        16.1152821836        3.3098927165       13.1552029032
  O        14.0200324731       13.1839672905        6.5846241590
  O        16.1158982047        6.5540217491       13.1550826617
  O        14.0207855155       16.4281444877        6.5834111044
  O         1.8504310291       14.8009287322        0.2747979497
  O         8.1939804695        4.9384207486        6.8462517483
  O        18.2404086326        4.9359899836       12.8676281639
  O        11.8956363567       14.8018726096        6.2962588314
  O         1.6024801715       17.1401928802       12.2150844122
  O         8.4590512416        7.2789428150        5.6619825626
  O         1.5999844096       12.4721972916       12.2131824347
  O         8.4304477505        2.6023181544        5.6446783113
  O        18.4911064431        2.6011361663        0.9265523560
  O        11.6467458146       12.4713498969        7.5001187527
  O        18.4898537265        7.2668162787        0.9293019021
  O        11.6462420519       17.1386874496        7.4980212209
  O         2.3445313454       16.4908905620        9.7165600244
  O         7.8771403155        6.5508506188        3.1648958151
  O         2.3435078546       13.1214532699        9.7176389560
  O         7.7391138625        3.2684234562        3.1585427991
  O        17.7458039833        3.2494878844        3.4261946969
  O        12.3884588551       13.1198135741        9.9951889802
  O        17.7469004683        6.6176402866        3.4242738585
  O        12.3896229979       16.4892164655        9.9966155123
  O         4.2805951644       14.8006565588        9.0483809160
  O         5.7244981668        4.8386742528        2.4251241744
  O        15.8100703788        4.9365098413        4.0935237771
  O        14.3259071365       14.8021774720       10.6646393316
 Si         8.4820208568        1.4142335223        9.0603670625
 Si         1.5659108303       11.2830601064        2.4912221630
 Si         8.4781328349        8.4515295386        9.0580559334
 Si         1.5622262163       18.3209535017        2.4882871160
 Si        11.6119473082       18.3238948766        4.0826382179
 Si        18.5262528283        8.4553858387       10.6529172121
 Si        11.6062149254       11.2825485773        4.0816247077
 Si        18.5240726445        1.4138858291       10.6530519241
 Si         6.5549442419        0.6714926756       11.1624193845
 Si         3.4915621908       10.5420199942        4.5977095619
 Si         6.5549547476        9.1952459984       11.1752838645
 Si         3.4901440793       19.0621676798        4.6001561936
 Si        13.5364087118       19.0664182590        1.9728865347
 Si        16.5980051364        9.1963226388        8.5437738284
 Si        13.5354900516       10.5413178890        1.9733031031
 Si        16.5979881317        0.6718470122        8.5439444027
 Si         5.6118021256        1.0478414803        0.8458979289
 Si         4.4299498706       10.9333845610        7.4291378534
 Si         5.6089383086        8.8058168496        0.8378048338
 Si         4.4312386955       18.6709607753        7.4319863323
 Si        14.4739576322       18.6723492363       12.2818042611
 Si        15.6580870471        8.8039075444        5.7119756330
 Si        14.4738115409       10.9340946705       12.2827068760
 Si        15.6603206691        1.0653285079        5.7110586205
 Si         2.4896552780        1.0178754389        0.6220785430
 Si         7.5490178904       10.8874943450        7.1912386587
 Si         2.5080652534        8.8513693891        0.6195676959
 Si         7.5479881916       18.7171528860        7.1950875832
 Si        17.5919664235       18.7172602346       12.5194892319
 Si        12.5407147797        8.8462933091        5.9484608338
 Si        17.5920748502       10.8892879365       12.5203880226
 Si        12.5419260108        1.0206388647        5.9486303785
 Si         1.4483588133        0.7175111158       10.8115348355
 Si         8.5929338135       10.5850286843        4.2433556391
 Si         1.4526333699        9.1490162132       10.8178226508
 Si         8.5969312346       19.0198627699        4.2464450194
 Si        18.6374478329       19.0188436232        2.3251731706
 Si        11.4935708635        9.1490006330        8.8967052497
 Si        18.6404860263       10.5895957910        2.3259778310
 Si        11.4964846832        0.7182534965        8.8968205469
 Si         4.0742140706        1.3596884963        9.4568635564
 Si         5.9722706151       11.2265374714        2.8864902566
 Si         4.0771200412        8.5067114983        9.4552907153
 Si         5.9712075413       18.3714309756        2.8878636788
 Si        16.0147413061       18.3774532322        3.6860282930
 Si        14.1179565487        8.5086843998       10.2561747882
 Si        16.0148341490       11.2288632188        3.6846631636
 Si        14.1190817457        1.3606859269       10.2567842006
 Si         8.4358380004       16.3274005327        8.9423486102
 Si         1.6097539224        6.4716848493        2.3779120679
 Si         8.4327217370       13.2735109575        8.9431533963
 Si         1.6022617121        3.4088322396        2.3726497285
 Si        11.6571577534        3.4132227103        4.1991969010
 Si        18.4792272730       13.2755213719       10.7697785088
 Si        11.6520128119        6.4662249968        4.1985259172
 Si        18.4785155560       16.3288084435       10.7701803213
 Si         6.3404966013       17.2898970542       10.9949518188
 Si         3.6730526282        7.4348670421        4.4510605365
 Si         6.3419637559       12.3112541496       10.9934551789
 Si         3.6835728764        2.4382286127        4.4375788718
 Si        13.7487598513        2.4456614711        2.1468305429
 Si        16.3856473092       12.3142983271        8.7182320956
 Si        13.7462376930        7.4222888512        2.1485048912
 Si        16.3851825868       17.2923908207        8.7177912181
 Si         5.4998533257       16.3315779169        0.5401443688
 Si         4.5424224409        6.4749208811        7.1033658877
 Si         5.5004701347       13.2667388228        0.5448649225
 Si         4.5504570951        3.4116323131        7.1181805429
 Si        14.5888219139        3.4033692677       12.5993797084
 Si        15.5442116572       13.2703253687        6.0285233893
 Si        14.5887819133        6.4680760248       12.5994157552
 Si        15.5447452647       16.3347158684        6.0288095835
 Si         2.3748648088       16.3347893383        0.2466883023
 Si         7.6722695525        6.4778062615        6.8105218560
 Si         2.3760227004       13.2661974319        0.2485330782
 Si         7.6686870569        3.4098441167        6.8220676355
 Si        17.7134305559        3.4015868095       12.8936107295
 Si        12.4198406516       13.2671904175        6.3222709051
 Si        17.7135551856        6.4701026324       12.8934933323
 Si        12.4202950877       16.3364091451        6.3236391588
 Si         1.3196931930       17.3535778068       10.6310159001
 Si         8.7560070787        7.4908578926        4.0771747210
 Si         1.3212666186       12.2515405585       10.6299106434
 Si         8.7462444880        2.3804557768        4.0737355169
 Si        18.7603979207        2.3800266856        2.5099460780
 Si        11.3652626404       12.2504442146        9.0831283445
 Si        18.7613936580        7.4890669411        2.5105615745
 Si        11.3656121404       17.3550172492        9.0820270018
 Si         3.9048060435       16.3521866442        9.3042961589
 Al         6.2202331191        6.6907169347        2.7697118842
 Si         3.9054499187       13.2487417803        9.3030030604
 Si         6.1752701435        3.2185150867        2.7581511527
 Si        16.1838863869        3.3841584572        3.8385384478
 Si        13.9488438309       13.2507670009       10.4094414239
 Si        16.1836597901        6.4880015247        3.8377021331
 Si        13.9498026554       16.3536881591       10.4093507870
  H         4.9066933216        4.9751903295        1.8820881108
     289
 i =        4, E =     -3467.2935607048
  O        10.0853747177        1.4121724989        9.2460150902
  O        20.0496510154       11.2838673514        2.6748727097
  O        10.0832845207        8.4553287922        9.2455341916
  O        20.0495560637       18.3280024326        2.6743188673
  O        10.0058845118       18.3288247820        3.8952655752
  O         0.0397657963        8.4562769195       10.4669153617
  O        10.0043085309       11.2876151904        3.8965173397
  O         0.0391352885        1.4142090691       10.4675335898
  O         7.8219251185        1.4758395364       10.5539994483
  O         2.2234932522       11.3505747918        3.9829841457
  O         7.8191298468        8.3960459907       10.5498997934
  O         2.2239636622       18.2644683601        3.9798808941
  O        12.2693096808       18.2643492956        2.5879337250
  O        17.8649663615        8.3942579116        9.1606292816
  O        12.2698276324       11.3446040082        2.5904496409
  O        17.8656664651        1.4740338160        9.1590384822
  O         8.0061842626        2.7418392325        8.2520674917
  O         2.0372086663       12.6138036627        1.6844471729
  O         8.0060589862        7.1209552454        8.2578452764
  O         2.0396587916       16.9955451827        1.6811201373
  O        12.0822367351       16.9948763408        4.8886596265
  O        18.0518118009        7.1248433277       11.4576735943
  O        12.0837564988       12.6130277934        4.8856977516
  O        18.0525452939        2.7431117723       11.4597404912
  O         7.9997695101        0.0758305660        8.2991073769
  O         2.0415246413        9.9412268528        1.7271565181
  O         8.0018339835        9.7944824326        8.2991484331
  O         2.0456617433       19.6644494346        1.7290819137
  O        12.0890260302       19.6638803984        4.8440314068
  O        18.0445589800        9.7943945453       11.4149136139
  O        12.0904213068        9.9446990529        4.8440937114
  O        18.0454911524        0.0748920396       11.4151080756
  O         6.6423756827        0.7297506145       12.7778910990
  O         3.4104312654       10.5991652042        6.2143480135
  O         6.6466181635        9.1784218452       12.7764539477
  O         3.4141551958       19.0135055976        6.2123074512
  O        13.4568718070       19.0114594666        0.3590189359
  O        16.6782089142        9.1422344344        6.9296325917
  O        13.4571653705       10.5957087796        0.3589890617
  O        16.6781822698        0.7266592857        6.9296911714
  O         6.6324607181       18.8539943231       10.6677256397
  O         3.3542885349        9.0029309794        4.0956763976
  O         6.6313759322       10.7519389038       10.6579024195
  O         3.4185543351        0.8789056467        4.0895207491
  O        13.4566720199        0.8830129985        2.4767814346
  O        16.6779588457       10.7523216907        9.0478304905
  O        13.4589962377        8.9854194946        2.4767543129
  O        16.6783292093       18.8548160073        9.0477040442
  O         5.1431705718        1.3374839320       10.6884138901
  O         4.8995203696       11.2131813976        4.1142360639
  O         5.1469793167        8.5340809214       10.6840026932
  O         4.9020014750       18.4108224359        4.1135517716
  O        14.9456238749       18.4024124328        2.4567740010
  O        15.1892665295        8.5326582097        9.0290624671
  O        14.9455035889       11.2051261827        2.4564239038
  O        15.1889484966        1.3359380755        9.0281236201
  O         5.8503252499        2.5718634115        1.3057393836
  O         4.1850363259       12.4637689843        7.9150832078
  O         5.7844528100        7.2398466327        1.1841754333
  O         4.1843319237       17.1437189296        7.9156069244
  O        14.2296766306       17.1440228007       11.7973265375
  O        15.9058319278        7.2746198864        5.2269549249
  O        14.2300410550       12.4635080909       11.7978781938
  O        15.9057042281        2.5935183708        5.2259503555
  O         4.0809926374        0.9005988242        0.3432848296
  O         5.9589764905       10.7686621382        6.9137135664
  O         4.0721971564        9.0177158298        0.3134003000
  O         5.9587645445       18.8415429613        6.9100811014
  O        16.0028437845       18.8406012543       12.8010973802
  O        14.1317969390        8.9724787997        6.2301945851
  O        16.0023810031       10.7674731337       12.8000670878
  O        14.1309583288        0.8978387566        6.2294560942
  O         5.9101305913        0.0623150342        2.0938618994
  O         4.1382213814        9.9187929376        8.6576690717
  O         5.9000045367        9.8163903756        2.0772160540
  O         4.1417889193       19.6892712915        8.6572025371
  O        14.1859273653       19.6892075797       11.0560930537
  O        15.9503427571        9.8196491192        4.4853662726
  O        14.1875755880        9.9180528207       11.0560282663
  O        15.9496162603        0.0493142352        4.4849294305
  O         2.1709033421        2.5345112243        1.1241959951
  O         7.8837342429       12.3992094523        7.6887623153
  O         2.1599059886        7.3358265178        1.1135510980
  O         7.8839819904       17.2082060221        7.6900115716
  O        17.9297982663       17.2086307212       12.0233298852
  O        12.2173893333        7.3342667322        5.4586733780
  O        17.9284966967       12.3994328399       12.0238187179
  O        12.2012438634        2.5271563980        5.4492085685
  O         1.6595053047        0.7266572742       12.4162349023
  O         8.3856354137       10.5963996388        5.8467450454
  O         1.6552921029        9.1423159543       12.4191218920
  O         8.3850741922       19.0133285269        5.8457600881
  O        18.4308301887       19.0120754987        0.7240545742
  O        11.7044853170        9.1435306035        7.2963160095
  O        18.4298331276       10.5952572918        0.7241651028
  O        11.7040775947        0.7262100289        7.2948816386
  O         2.5855504331        1.5874289306       10.0501852640
  O         7.4601958352       11.4604059836        3.4797321171
  O         2.5855434831        8.2824346518       10.0459842616
  O         7.4622889291       18.1567259082        3.4738379415
  O        17.5052205180       18.1515595243        3.0954139951
  O        12.6291720860        8.2826782965        9.6661543712
  O        17.5050139249       11.4556181664        3.0951234139
  O        12.6293911941        1.5867130938        9.6657400225
  O         1.4989350924       18.9248855154       10.2873061922
  O         8.5502129507        9.0599922660        3.7167707417
  O         1.4977839812       10.6816366597       10.2852873384
  O         8.5385216979        0.8176928296        3.7071912422
  O        18.5927549786        0.8105804889        2.8569948568
  O        11.5442385982       10.6811045482        9.4272130965
  O        18.5907578869        9.0585163089        2.8558643555
  O        11.5428648066       18.9258090338        9.4271157454
  O         4.4404005138        2.6203339634        8.5180823824
  O         5.6061475320       12.4973514199        1.9532130892
  O         4.4411599946        7.2388548288        8.5219948031
  O         5.6030041228       17.1200084375        1.9433008205
  O        15.6499238535       17.1143061322        4.6226768087
  O        14.4859706212        7.2442361950       11.1924799706
  O        15.6507710056       12.4936891115        4.6215080689
  O        14.4855667481        2.6235253233       11.1938517760
  O         9.8618840243       16.8998966369        9.4685216949
  O         0.1753450415        7.0213117090        2.9005592436
  O         9.8636832131       12.7138131885        9.4698016668
  O         0.1825088914        2.8368764134        2.9054734501
  O        10.2354773357        2.8436423351        3.6630446627
  O        19.9077807269       12.7123318901       10.2439676593
  O        10.2736747492        7.0566438355        3.6976888567
  O        19.9065674071       16.8985355558       10.2444136341
  O         7.4115984456       16.3638927782       10.2051426263
  O         2.6203854057        6.4820786298        3.6382434644
  O         7.4111742221       13.2498983372       10.2076754171
  O         2.6502637034        3.3783274997        3.6157497823
  O        12.6774472678        3.3737074691        2.9343748948
  O        17.4560172054       13.2471277667        9.5064844346
  O        12.6863348098        6.4867271822        2.9383643566
  O        17.4561563393       16.3624046686        9.5065116416
  O         8.5603069238       14.8028186859        8.3950485069
  O         1.4943193012        4.9353829458        1.8221426953
  O        11.5312701334        4.9331109717        4.7485252194
  O        18.6053571647       14.8036308019       11.3182004708
  O         6.5078680109       17.0129039940       12.5948448458
  O         3.4837350278        7.1443352904        6.0618266012
  O         6.5105715142       12.5991107052       12.5937947651
  O         3.5376394069        2.7273423291        6.0306940315
  O        13.5810595802        2.7271984101        0.5475467992
  O        16.5546708156       12.5977763547        7.1186648103
  O        13.5813091246        7.1412828859        0.5478004563
  O        16.5541282232       17.0105277402        7.1185113570
  O         4.8248657957       16.9307985547       10.5145430154
  O         5.1856920433        7.0944321535        4.0859695395
  O         4.8277291191       12.6867623286       10.5155635089
  O         5.2155741081        2.7904769252        3.9821253672
  O        15.2641178111        2.8105296990        2.6269744452
  O        14.8718963283       12.6834508881        9.1984993190
  O        15.2638515306        7.0563783641        2.6254373140
  O        14.8708177360       16.9268846590        9.1984577584
  O         5.9654277505       14.8036026618        0.7990424830
  O         4.0800532091        4.9358961226        7.3705651006
  O        14.1249422111        4.9344530584       12.3432560843
  O        16.0105505370       14.8036518552        5.7726030610
  O         3.9777115212       16.4376917575       -0.0115095440
  O         6.0703899137        6.5434414592        6.5664709789
  O         3.9769816607       13.1843716873       -0.0144576008
  O         6.0677318921        3.2960172520        6.5558441992
  O        16.1121994123        3.3045042108       13.1552885363
  O        14.0216297532       13.1803142274        6.5852681627
  O        16.1126807942        6.5576133809       13.1556355979
  O        14.0224550174       16.4336763767        6.5835780194
  O         1.8437114851       14.8041672490        0.2713132415
  O         8.2021352441        4.9358180308        6.8421385774
  O        18.2467636513        4.9337496831       12.8709427414
  O        11.8885966933       14.8040588519        6.2996197601
  O         1.5910524824       17.1518920214       12.2246944431
  O         8.4766913196        7.3053460803        5.6797337122
  O         1.5887093052       12.4635956409       12.2228193792
  O         8.4405147351        2.5916741622        5.6523734296
  O        18.5027053821        2.5911217886        0.9161906751
  O        11.6355095115       12.4619423894        7.4906720254
  O        18.4997061064        7.2755822986        0.9168707381
  O        11.6345707250       17.1498549286        7.4885644621
  O         2.3388164194       16.4788538876        9.7128428788
  O         7.8973002418        6.5131467910        3.1555774848
  O         2.3383662468       13.1356266994        9.7140443987
  O         7.7305199102        3.2841536285        3.1512322076
  O        17.7504436028        3.2624167539        3.4304642660
  O        12.3832556847       13.1333351526        9.9989279901
  O        17.7493215266        6.6030113088        3.4290538460
  O        12.3833969702       16.4768950371       10.0000300364
  O         4.2859655219       14.8041924018        9.0250885995
  O         5.7143102798        4.8609973848        2.4070824545
  O        15.8043957690        4.9339688536        4.1168652201
  O        14.3310053430       14.8035853845       10.6879458484
 Si         8.4853826610        1.4210876817        9.0649634030
 Si         1.5654807615       11.2881196108        2.4981864657
 Si         8.4795137578        8.4460741019        9.0634968822
 Si         1.5598691259       18.3129362263        2.4909962965
 Si        11.6114297865       18.3148938194        4.0783150808
 Si        18.5304157178        8.4482394502       10.6478604555
 Si        11.6028508770       11.2896981053        4.0773393942
 Si        18.5254046230        1.4220535538       10.6484223778
 Si         6.5545197731        0.6697789652       11.1585464706
 Si         3.4898733092       10.5516973278        4.5974548197
 Si         6.5548193765        9.1989591660       11.1596249988
 Si         3.4890074516       19.0617553166        4.5979040286
 Si        13.5371674472       19.0670792636        1.9748735001
 Si        16.5990237794        9.1971081008        8.5460575703
 Si        13.5350912834       10.5407319517        1.9768321724
 Si        16.5982408747        0.6705248142        8.5464986829
 Si         5.6074536048        1.0163793319        0.8312976127
 Si         4.4253050196       10.9347723261        7.4261428780
 Si         5.6060939851        8.7934602571        0.8261953646
 Si         4.4287427365       18.6674393908        7.4313080088
 Si        14.4719876871       18.6691781002       12.2832591507
 Si        15.6605947997        8.8015699016        5.7140530049
 Si        14.4721652593       10.9365081301       12.2847537265
 Si        15.6640804523        1.0682596837        5.7126946401
 Si         2.4847952679        1.0220294783        0.6221531599
 Si         7.5504516938       10.8901350967        7.1905005411
 Si         2.4916828091        8.8498596468        0.6197755461
 Si         7.5503569122       18.7127690912        7.1957187171
 Si        17.5953488758       18.7138137772       12.5195780122
 Si        12.5386663249        8.8427373808        5.9486128030
 Si        17.5966351040       10.8914579526       12.5212899135
 Si        12.5402628187        1.0226396129        5.9500748270
 Si         1.4504336680        0.7193923871       10.8091773927
 Si         8.5902024213       10.6002450466        4.2446668333
 Si         1.4563101683        9.1463790548       10.8162697992
 Si         8.5945727856       19.0147530665        4.2439746234
 Si        18.6339544365       19.0162399023        2.3280883125
 Si        11.4956283137        9.1465170851        8.8990986487
 Si        18.6394567606       10.5921959269        2.3296203414
 Si        11.5003047197        0.7199044442        8.9005983144
 Si         4.0726964904        1.3617008834        9.4609209497
 Si         5.9709944646       11.2350534363        2.8965495513
 Si         4.0761055046        8.5047938424        9.4589504745
 Si         5.9704623180       18.3695520046        2.8898824308
 Si        16.0150380041       18.3747137162        3.6826214124
 Si        14.1181874207        8.5071557408       10.2511329324
 Si        16.0162101404       11.2302643277        3.6803961593
 Si        14.1198793139        1.3627563664       10.2527548225
 Si         8.4354361044       16.3211366510        8.9397640732
 Si         1.6065860772        6.4709956344        2.3703888171
 Si         8.4303300315       13.2755483743        8.9411029773
 Si         1.5996873845        3.4167216679        2.3667711491
 Si        11.6644666402        3.4233007688        4.2034887573
 Si        18.4789441946       13.2779964244       10.7721188557
 Si        11.6757454249        6.4593741188        4.2083425768
 Si        18.4775921191       16.3234810334       10.7728056992
 Si         6.3423181243       17.2868945724       10.9976111026
 Si         3.6650297886        7.4391347356        4.4617949952
 Si         6.3441058311       12.3110747055       10.9957076675
 Si         3.6589973499        2.4329672412        4.4486185753
 Si        13.7482508311        2.4462094692        2.1435680208
 Si        16.3887602570       12.3149327025        8.7158419161
 Si        13.7435782266        7.4204264522        2.1479614977
 Si        16.3877649083       17.2908949196        8.7152350824
 Si         5.5049323873       16.3269122606        0.5397528370
 Si         4.5347273260        6.4770467958        7.1083806719
 Si         5.5055793155       13.2654725968        0.5462760698
 Si         4.5446713225        3.4170646954        7.1222720376
 Si        14.5843523390        3.4053935257       12.5983602189
 Si        15.5497033348       13.2702115539        6.0271632335
 Si        14.5843938973        6.4684216755       12.5987057075
 Si        15.5506687462       16.3323449861        6.0280301890
 Si         2.3732000324       16.3306281836        0.2455807112
 Si         7.6707697793        6.4759368975        6.8172894595
 Si         2.3740536687       13.2665667185        0.2500443236
 Si         7.6669245792        3.4154731227        6.8264841479
 Si        17.7155671830        3.4058087443       12.8932567743
 Si        12.4180378057       13.2682722335        6.3211103395
 Si        17.7166744558        6.4690424075       12.8929567316
 Si        12.4190952552       16.3322716784        6.3245656791
 Si         1.3207577924       17.3513388723       10.6299521504
 Si         8.7691757819        7.4892136001        4.0784197949
 Si         1.3236613253       12.2511866454       10.6278030099
 Si         8.7606220414        2.3722826270        4.0826222372
 Si        18.7580584353        2.3820748750        2.5112283140
 Si        11.3663093496       12.2517645971        9.0847534899
 Si        18.7596181709        7.4881289614        2.5123641986
 Si        11.3672563452       17.3526600707        9.0834828416
 Si         3.9055952453       16.3439402148        9.3002483462
 Al         6.2286172583        6.6828142795        2.7613375201
 Si         3.9058737647       13.2521222364        9.2985704419
 Si         6.1645016126        3.2567374867        2.7455392689
 Si        16.1826763354        3.3920123281        3.8435135038
 Si        13.9494617973       13.2556613045       10.4133833994
 Si        16.1836216996        6.4837743641        3.8420571238
 Si        13.9511069100       16.3469327765       10.4134167233
  H         4.9048753347        4.9456650048        1.8694871349
     289
 i =        5, E =     -3467.3043819341
  O        10.0889212356        1.4240750796        9.2526567424
  O        20.0495723138       11.2972655786        2.6819730411
  O        10.0852030319        8.4431201093        9.2517298160
  O        20.0474863234       18.3155833003        2.6806022508
  O        10.0062569962       18.3171434969        3.8888964541
  O         0.0439322563        8.4443236906       10.4603481374
  O        10.0026915499       11.3042659001        3.8894743629
  O         0.0405199667        1.4269547916       10.4607102451
  O         7.8249667084        1.4729333831       10.5630665507
  O         2.2167130044       11.3558832629        3.9918694192
  O         7.8251247199        8.3961948746       10.5568762932
  O         2.2204236919       18.2650798952        3.9886942756
  O        12.2662439583       18.2663269821        2.5784383938
  O        17.8685354055        8.3965746413        9.1513936610
  O        12.2662061774       11.3419508714        2.5813941156
  O        17.8688565753        1.4717872885        9.1493710335
  O         8.0051489348        2.7457439273        8.2644287639
  O         2.0396289595       12.6167374008        1.6974798147
  O         8.0034073815        7.1175295443        8.2747582930
  O         2.0412502643       16.9907875117        1.6910471807
  O        12.0850445773       16.9894363721        4.8786476488
  O        18.0499945789        7.1211223642       11.4454521220
  O        12.0856134490       12.6175163688        4.8736119469
  O        18.0500290494        2.7476900680       11.4488332233
  O         7.9994583276        0.0807438871        8.2982475183
  O         2.0397111195        9.9508964704        1.7303737011
  O         8.0003223665        9.7894655660        8.2964488457
  O         2.0440569218       19.6568398718        1.7281794845
  O        12.0897606970       19.6568816649        4.8441195639
  O        18.0449036669        9.7874955079       11.4152416316
  O        12.0898477063        9.9498460345        4.8452128040
  O        18.0449272039        0.0811543982       11.4153298988
  O         6.6484689815        0.7182257832       12.7687329142
  O         3.4115791976       10.5971676709        6.2133870274
  O         6.6518898478        9.1926849440       12.7741327955
  O         3.4165911941       19.0147364289        6.2112406108
  O        13.4593718500       19.0137519776        0.3599655589
  O        16.6758763509        9.1446907762        6.9312659473
  O        13.4591324460       10.5932466010        0.3615054117
  O        16.6761887250        0.7241011098        6.9314894471
  O         6.6264505235       18.8493630124       10.6633249799
  O         3.3361759659        8.9983399096        4.0967627202
  O         6.6271565833       10.7593211156       10.6504389443
  O         3.4160861926        0.8751782232        4.0876665383
  O        13.4618713740        0.8859640847        2.4802162738
  O        16.6730520654       10.7550348499        9.0510827112
  O        13.4641178746        8.9816390233        2.4803288004
  O        16.6733986871       18.8517042903        9.0511136918
  O         5.1406861589        1.3442290532       10.6945389255
  O         4.9014423454       11.2224037580        4.1229040567
  O         5.1417539846        8.5268338845       10.6880726003
  O         4.9048667776       18.4069257925        4.1194187511
  O        14.9487054741       18.3955737851        2.4512256465
  O        15.1876045172        8.5259143033        9.0219546072
  O        14.9482690641       11.2120723648        2.4507023874
  O        15.1870369294        1.3426013813        9.0216593882
  O         5.8585653428        2.5694586542        1.3064931731
  O         4.1861707440       12.4635343016        7.9110848096
  O         5.7716789017        7.2219450511        1.1875595171
  O         4.1853973312       17.1418149876        7.9134786180
  O        14.2307500322       17.1428530596       11.7996909475
  O        15.9045171233        7.2745299044        5.2301925176
  O        14.2308375566       12.4641086241       11.8006907248
  O        15.9046711790        2.5943241160        5.2285992537
  O         4.0711206597        0.8920627823        0.3408893606
  O         5.9571776477       10.7672970636        6.9169343207
  O         4.0674843957        9.0425115485        0.2975284831
  O         5.9584440004       18.8422829057        6.9129884936
  O        16.0034501970       18.8417107357       12.7979052378
  O        14.1317782920        8.9746799089        6.2277044797
  O        16.0042014211       10.7662898805       12.7969339493
  O        14.1329020190        0.8968783119        6.2259392937
  O         5.9153647360        0.0600730940        2.1067379615
  O         4.1362751889        9.9233100078        8.6633399740
  O         5.8975690083        9.8049643384        2.0817869772
  O         4.1417878984       19.6841407293        8.6641699707
  O        14.1854580930       19.6848345302       11.0494483168
  O        15.9516075917        9.8150621101        4.4789171852
  O        14.1880497823        9.9223053647       11.0492809130
  O        15.9506713443        0.0535062691        4.4781267790
  O         2.1693208998        2.5405530489        1.1168811443
  O         7.8867083096       12.4079730787        7.6809113949
  O         2.1569232685        7.3272504360        1.1048354931
  O         7.8870811732       17.1976565819        7.6830300895
  O        17.9327694595       17.1985381411       12.0305750686
  O        12.2227559616        7.3263509897        5.4730413126
  O        17.9317003922       12.4084745749       12.0312185225
  O        12.1990273758        2.5363660738        5.4571013269
  O         1.6660374630        0.7288009682       12.4109044363
  O         8.3774849447       10.5990064722        5.8442437424
  O         1.6581173300        9.1412063944       12.4106711893
  O         8.3767230689       19.0107180890        5.8427372324
  O        18.4224889157       19.0102898887        0.7286921604
  O        11.7132217679        9.1411566630        7.2988259742
  O        18.4225970144       10.5968501629        0.7307786859
  O        11.7121700783        0.7279114087        7.3004435663
  O         2.5834080793        1.5919586842       10.0443112905
  O         7.4594894119       11.4697267508        3.4732717964
  O         2.5846686626        8.2786211077       10.0412104401
  O         7.4610193208       18.1531906366        3.4671911015
  O        17.5054558260       18.1470796962        3.1013267674
  O        12.6281798930        8.2785314203        9.6716727538
  O        17.5064953283       11.4598650034        3.1004115256
  O        12.6296101838        1.5912306678        9.6717962573
  O         1.5007354856       18.9231691085       10.2886540224
  O         8.5453380394        9.0580471598        3.7208450616
  O         1.5008711702       10.6815230233       10.2870359334
  O         8.5387015475        0.8127426320        3.7067242780
  O        18.5885475969        0.8125434683        2.8559722981
  O        11.5464964521       10.6822965853        9.4259568218
  O        18.5876838431        9.0571197701        2.8548270806
  O        11.5458791880       18.9235830620        9.4257532737
  O         4.4469498837        2.6247951759        8.5267731005
  O         5.5991585170       12.5020430006        1.9624109755
  O         4.4502376570        7.2371984378        8.5334257432
  O         5.5957212320       17.1148266676        1.9488097925
  O        15.6429452491       17.1093348806        4.6155690259
  O        14.4928215794        7.2405504160       11.1843773517
  O        15.6438555314       12.4973039027        4.6134246262
  O        14.4926130304        2.6280507863       11.1861808092
  O         9.8562680603       16.9033194982        9.4869821969
  O         0.1766726084        7.0291787909        2.9157607362
  O         9.8574858079       12.7076846186        9.4875042429
  O         0.1849244004        2.8320887735        2.9228258581
  O        10.2480101343        2.8364077454        3.6470758624
  O        19.9039444830       12.7061568192       10.2256838963
  O        10.3004777165        7.0743299158        3.6969979138
  O        19.9010582918       16.9025484868       10.2260886803
  O         7.4198894469       16.3543826594       10.2122118316
  O         2.6103727538        6.4807765685        3.6510027754
  O         7.4191994893       13.2566091282       10.2152325092
  O         2.6462370189        3.3876133793        3.6175749830
  O        12.6708816510        3.3835959364        2.9265234198
  O        17.4644839815       13.2546942356        9.4993106147
  O        12.6870006104        6.4763889450        2.9302143064
  O        17.4645250001       16.3537980363        9.4995484526
  O         8.5620463416       14.8005977935        8.3838589668
  O         1.4866510569        4.9381677047        1.8120344780
  O        11.5298656860        4.9355658663        4.7611427805
  O        18.6070917296       14.8020058021       11.3290144428
  O         6.5117502388       17.0080271406       12.5939127291
  O         3.4653495288        7.1530241435        6.0703455310
  O         6.5130085720       12.6014692891       12.5923478740
  O         3.5265447658        2.7319479792        6.0359591432
  O        13.5777657116        2.7309694531        0.5485693404
  O        16.5577869809       12.6008401521        7.1200109723
  O        13.5771767922        7.1381758481        0.5502458949
  O        16.5576304338       17.0067357261        7.1197382781
  O         4.8277929874       16.9253221232       10.5106888775
  O         5.2056156129        7.1024778514        4.0815189895
  O         4.8323829499       12.6916315671       10.5102471195
  O         5.2268204156        2.7801763854        3.9786475297
  O        15.2610761797        2.8161520582        2.6317771051
  O        14.8769974615       12.6886070708        9.2028778647
  O        15.2604766514        7.0515815500        2.6300961498
  O        14.8751308886       16.9214844409        9.2025723124
  O         5.9634373896       14.8009093390        0.8152680639
  O         4.0818642432        4.9388743492        7.3867683933
  O        14.1271779423        4.9356706282       12.3275914203
  O        16.0083481863       14.8022078752        5.7570307339
  O         3.9808808766       16.4379603388       -0.0084338412
  O         6.0647724430        6.5412621071        6.5691739341
  O         3.9794855262       13.1843323628       -0.0114550942
  O         6.0621276307        3.2978619576        6.5635479275
  O        16.1097807680        3.3034326160       13.1518739082
  O        14.0245593986       13.1795479609        6.5822922198
  O        16.1109358919        6.5584264640       13.1530396098
  O        14.0259672664       16.4347297320        6.5802210504
  O         1.8519465683       14.8011400758        0.2659209122
  O         8.1953185054        4.9400676605        6.8365380637
  O        18.2386286926        4.9360973297       12.8762181337
  O        11.8966799988       14.8017627230        6.3048986696
  O         1.5816148311       17.1657459625       12.2318344553
  O         8.4815505126        7.3234950185        5.6868936700
  O         1.5799461707       12.4525797752       12.2282607170
  O         8.4532224485        2.5813319469        5.6640626819
  O        18.5112497132        2.5782577243        0.9107659361
  O        11.6263850006       12.4502948038        7.4840313866
  O        18.5088632174        7.2884877816        0.9120901650
  O        11.6257894822       17.1631767551        7.4816310292
  O         2.3357337223       16.4665565296        9.7122195792
  O         7.8863503679        6.4912680748        3.1521780029
  O         2.3342545929       13.1479808254        9.7136903754
  O         7.7161666118        3.2863429344        3.1530518874
  O        17.7538043331        3.2748295322        3.4313001914
  O        12.3793293980       13.1456994692        9.9992462099
  O        17.7534052447        6.5909814417        3.4291833811
  O        12.3803530445       16.4643963069       10.0007358717
  O         4.2841513119       14.8002305308        9.0157708704
  O         5.7119424649        4.8846920074        2.3990812694
  O        15.8055143785        4.9371918314        4.1263083468
  O        14.3290608464       14.8021158627       10.6972100284
 Si         8.4881673888        1.4296805723        9.0672601306
 Si         1.5610110557       11.2923489773        2.5003134736
 Si         8.4843628546        8.4385554136        9.0671658246
 Si         1.5565105995       18.3077571744        2.4945431207
 Si        11.6067850354       18.3100054451        4.0733944277
 Si        18.5328871218        8.4426066840       10.6436987512
 Si        11.6016830459       11.2947792811        4.0733718637
 Si        18.5291495847        1.4278778691       10.6439332490
 Si         6.5512455382        0.6641345640       11.1558737744
 Si         3.4907758046       10.5428813719        4.5966199703
 Si         6.5513887782        9.2069811184       11.1629702633
 Si         3.4938044020       19.0673894923        4.5969606726
 Si        13.5416130148       19.0732534774        1.9754233654
 Si        16.5939080263        9.2029537198        8.5473347913
 Si        13.5393704091       10.5341265790        1.9770044105
 Si        16.5930738927        0.6646719705        8.5471491179
 Si         5.6114600518        1.0162642773        0.8326481390
 Si         4.4258486802       10.9331059928        7.4292362264
 Si         5.6040215862        8.7913423602        0.8168211444
 Si         4.4283201925       18.6706927326        7.4306682960
 Si        14.4705388510       18.6714999195       12.2843201345
 Si        15.6627998881        8.8035120027        5.7145122686
 Si        14.4705133631       10.9347685526       12.2850451352
 Si        15.6638962807        1.0661181458        5.7137724102
 Si         2.4827563295        1.0232579662        0.6241094241
 Si         7.5522552470       10.8884436622        7.1950683325
 Si         2.4920000869        8.8525864377        0.6208659083
 Si         7.5528177673       18.7154855637        7.1961598013
 Si        17.5962030443       18.7149811119       12.5179334598
 Si        12.5367496680        8.8452947741        5.9484474983
 Si        17.5965789973       10.8911224734       12.5187481212
 Si        12.5381577878        1.0223983518        5.9480752253
 Si         1.4483967271        0.7225217427       10.8080352442
 Si         8.5943677465       10.5949902717        4.2409247450
 Si         1.4534811858        9.1440742768       10.8122927498
 Si         8.5961377935       19.0164829428        4.2402491354
 Si        18.6363418344       19.0126645589        2.3302263756
 Si        11.4922662544        9.1434941609        8.9026287381
 Si        18.6405815073       10.5959410426        2.3313509302
 Si        11.4969799994        0.7228664801        8.9026559676
 Si         4.0782628267        1.3652672781        9.4603620377
 Si         5.9660502119       11.2255208769        2.8875392198
 Si         4.0817777644        8.5011725284        9.4598671225
 Si         5.9676508687       18.3731343877        2.8903113935
 Si        16.0101687182       18.3727643676        3.6814860234
 Si        14.1224636494        8.5047340615       10.2514566204
 Si        16.0111764438       11.2325879726        3.6799897123
 Si        14.1236501335        1.3651016242       10.2523963123
 Si         8.4365351945       16.3215698227        8.9407083503
 Si         1.6023993676        6.4664010739        2.3716682488
 Si         8.4330326615       13.2790511550        8.9419791395
 Si         1.5957148459        3.4169142408        2.3674109961
 Si        11.6658402539        3.4201114323        4.2010975078
 Si        18.4797596331       13.2808146509       10.7719013076
 Si        11.6832962219        6.4545673158        4.2121852244
 Si        18.4787558239       16.3229482976       10.7718081683
 Si         6.3463559055       17.2885041598       10.9950503990
 Si         3.6700182618        7.4434804828        4.4627467285
 Si         6.3482984329       12.3115684079       10.9960032149
 Si         3.6700249260        2.4346247709        4.4458421069
 Si        13.7436638303        2.4460713712        2.1446147900
 Si        16.3922305462       12.3157854976        8.7170830703
 Si        13.7420539202        7.4216439674        2.1459908820
 Si        16.3912189777       17.2908557550        8.7165750567
 Si         5.5092295273       16.3298215772        0.5449545986
 Si         4.5285944518        6.4753343654        7.1125305096
 Si         5.5106262936       13.2663571245        0.5482915534
 Si         4.5409760009        3.4116384172        7.1250460967
 Si        14.5794831100        3.4040950345       12.5935357488
 Si        15.5542579075       13.2704083944        6.0222952830
 Si        14.5794230944        6.4680215182       12.5938288159
 Si        15.5550050764       16.3340642548        6.0230407575
 Si         2.3719551407       16.3364761328        0.2467178933
 Si         7.6764393955        6.4784908501        6.8182217573
 Si         2.3716631656       13.2657199775        0.2512263976
 Si         7.6676518835        3.4091399004        6.8261750126
 Si        17.7158767049        3.4013678238       12.8909431164
 Si        12.4156521564       13.2665750562        6.3198082538
 Si        17.7169956362        6.4700140458       12.8893853803
 Si        12.4172243902       16.3375940246        6.3229932674
 Si         1.3201425732       17.3495042682       10.6277352411
 Si         8.7717415269        7.4784980347        4.0734950592
 Si         1.3222511935       12.2553331022       10.6257348945
 Si         8.7496185444        2.3824159917        4.0740286368
 Si        18.7649453452        2.3866675844        2.5150042275
 Si        11.3655280403       12.2550301942        9.0871715498
 Si        18.7646699817        7.4827757211        2.5155974947
 Si        11.3667135825       17.3508638294        9.0856800753
 Si         3.9059595289       16.3419661779        9.2988795657
 Al         6.2354030474        6.6592783071        2.7620961484
 Si         3.9067732209       13.2604026998        9.2982369491
 Si         6.1575211565        3.2874027223        2.7408959738
 Si        16.1806733399        3.3952798154        3.8443382099
 Si        13.9503274509       13.2617023251       10.4150820406
 Si        16.1805010819        6.4769268153        3.8436350261
 Si        13.9511451826       16.3431076988       10.4146783215
  H         4.8993840133        4.9228480392        1.8527843990
