mirror of https://gitlab.com/QEF/q-e.git
5427 lines
400 KiB
Plaintext
5427 lines
400 KiB
Plaintext
<PP_INFO>
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Generated using "atomic" code by A. Dal Corso (espresso distribution)
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Author: anonymous Generation date: 28Jun2008
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Ch
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1 The Pseudo was generated with a Scalar-Relativistic Calculation
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1 1.5000000E+00 L component and cutoff radius for Local Potential
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nl pn l occ Rcut Rcut US E pseu
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2S 1 0 2.00 1.50000000000 1.50000000000 -2.77317418941
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2P 2 1 1.50 1.50000000000 1.50000000000 -2.15806905806
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</PP_INFO>
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<PP_HEADER>
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0 Version Number
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C Element
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NC Norm - Conserving pseudopotential
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F Nonlinear Core Correction
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SLA PW PBX PBC PBE Exchange-Correlation functional
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5.00000000000 Z valence
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-16.77910101422 Total energy
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0.000 0.000 Suggested cutoff for wfc and rho
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1 Max angular momentum component
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1073 Number of points in mesh
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4 1 Number of Wavefunctions, Number of Projectors
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Wavefunctions nl l occ
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2S 0 2.00
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3S 0 0.00
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2P 1 1.50
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3P 1 0.00
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</PP_HEADER>
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<PP_MESH>
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<PP_R>
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</PP_LOCAL>
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<PP_NONLOCAL>
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<PP_BETA>
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1 0 Beta L
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747
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
1.50 1.50
|
|
2S
|
|
</PP_BETA>
|
|
<PP_DIJ>
|
|
1 Number of nonzero Dij
|
|
1 1 1.73630758823E+00
|
|
</PP_DIJ>
|
|
</PP_NONLOCAL>
|
|
|
|
|
|
<PP_PSWFC>
|
|
2S 0 2.00 Wavefunction
|
|
1.61449005789E-04 1.63479784284E-04 1.65536106828E-04 1.67618294725E-04
|
|
1.69726673322E-04 1.71861572057E-04 1.74023324513E-04 1.76212268467E-04
|
|
1.78428745946E-04 1.80673103280E-04 1.82945691153E-04 1.85246864663E-04
|
|
1.87576983373E-04 1.89936411368E-04 1.92325517313E-04 1.94744674512E-04
|
|
1.97194260963E-04 1.99674659418E-04 2.02186257444E-04 2.04729447485E-04
|
|
2.07304626918E-04 2.09912198121E-04 2.12552568532E-04 2.15226150714E-04
|
|
2.17933362420E-04 2.20674626658E-04 2.23450371754E-04 2.26261031426E-04
|
|
2.29107044844E-04 2.31988856704E-04 2.34906917295E-04 2.37861682569E-04
|
|
2.40853614216E-04 2.43883179729E-04 2.46950852485E-04 2.50057111815E-04
|
|
2.53202443077E-04 2.56387337735E-04 2.59612293437E-04 2.62877814088E-04
|
|
2.66184409932E-04 2.69532597631E-04 2.72922900347E-04 2.76355847821E-04
|
|
2.79831976459E-04 2.83351829412E-04 2.86915956665E-04 2.90524915120E-04
|
|
2.94179268684E-04 2.97879588357E-04 3.01626452321E-04 3.05420446032E-04
|
|
3.09262162310E-04 3.13152201429E-04 3.17091171216E-04 3.21079687144E-04
|
|
3.25118372426E-04 3.29207858116E-04 3.33348783202E-04 3.37541794714E-04
|
|
3.41787547818E-04 3.46086705922E-04 3.50439940777E-04 3.54847932586E-04
|
|
3.59311370106E-04 3.63830950758E-04 3.68407380736E-04 3.73041375117E-04
|
|
3.77733657972E-04 3.82484962479E-04 3.87296031039E-04 3.92167615391E-04
|
|
3.97100476731E-04 4.02095385829E-04 4.07153123148E-04 4.12274478970E-04
|
|
4.17460253518E-04 4.22711257080E-04 4.28028310136E-04 4.33412243485E-04
|
|
4.38863898379E-04 4.44384126649E-04 4.49973790843E-04 4.55633764357E-04
|
|
4.61364931573E-04 4.67168187998E-04 4.73044440402E-04 4.78994606962E-04
|
|
4.85019617403E-04 4.91120413146E-04 4.97297947451E-04 5.03553185573E-04
|
|
5.09887104903E-04 5.16300695130E-04 5.22794958391E-04 5.29370909427E-04
|
|
5.36029575743E-04 5.42771997771E-04 5.49599229027E-04 5.56512336280E-04
|
|
5.63512399717E-04 5.70600513112E-04 5.77777783997E-04 5.85045333835E-04
|
|
5.92404298196E-04 5.99855826933E-04 6.07401084363E-04 6.15041249446E-04
|
|
6.22777515975E-04 6.30611092757E-04 6.38543203803E-04 6.46575088523E-04
|
|
6.54708001915E-04 6.62943214763E-04 6.71282013836E-04 6.79725702087E-04
|
|
6.88275598861E-04 6.96933040096E-04 7.05699378535E-04 7.14575983936E-04
|
|
7.23564243286E-04 7.32665561020E-04 7.41881359236E-04 7.51213077922E-04
|
|
7.60662175178E-04 7.70230127444E-04 7.79918429733E-04 7.89728595861E-04
|
|
7.99662158686E-04 8.09720670348E-04 8.19905702509E-04 8.30218846602E-04
|
|
8.40661714076E-04 8.51235936651E-04 8.61943166569E-04 8.72785076858E-04
|
|
8.83763361588E-04 8.94879736137E-04 9.06135937463E-04 9.17533724369E-04
|
|
9.29074877782E-04 9.40761201031E-04 9.52594520128E-04 9.64576684053E-04
|
|
9.76709565043E-04 9.88995058885E-04 1.00143508521E-03 1.01403158780E-03
|
|
1.02678653489E-03 1.03970191946E-03 1.05277975956E-03 1.06602209863E-03
|
|
1.07943100582E-03 1.09300857630E-03 1.10675693158E-03 1.12067821988E-03
|
|
1.13477461642E-03 1.14904832380E-03 1.16350157231E-03 1.17813662030E-03
|
|
1.19295575453E-03 1.20796129051E-03 1.22315557289E-03 1.23854097582E-03
|
|
1.25411990327E-03 1.26989478951E-03 1.28586809938E-03 1.30204232875E-03
|
|
1.31842000487E-03 1.33500368679E-03 1.35179596574E-03 1.36879946554E-03
|
|
1.38601684304E-03 1.40345078847E-03 1.42110402593E-03 1.43897931378E-03
|
|
1.45707944505E-03 1.47540724794E-03 1.49396558620E-03 1.51275735960E-03
|
|
1.53178550440E-03 1.55105299379E-03 1.57056283834E-03 1.59031808652E-03
|
|
1.61032182511E-03 1.63057717974E-03 1.65108731536E-03 1.67185543670E-03
|
|
1.69288478884E-03 1.71417865764E-03 1.73574037033E-03 1.75757329595E-03
|
|
1.77968084595E-03 1.80206647468E-03 1.82473367993E-03 1.84768600350E-03
|
|
1.87092703174E-03 1.89446039611E-03 1.91828977373E-03 1.94241888800E-03
|
|
1.96685150914E-03 1.99159145479E-03 2.01664259062E-03 2.04200883092E-03
|
|
2.06769413921E-03 2.09370252887E-03 2.12003806378E-03 2.14670485889E-03
|
|
2.17370708096E-03 2.20104894914E-03 2.22873473564E-03 2.25676876643E-03
|
|
2.28515542187E-03 2.31389913744E-03 2.34300440440E-03 2.37247577050E-03
|
|
2.40231784070E-03 2.43253527789E-03 2.46313280360E-03 2.49411519874E-03
|
|
2.52548730439E-03 2.55725402249E-03 2.58942031665E-03 2.62199121292E-03
|
|
2.65497180057E-03 2.68836723287E-03 2.72218272794E-03 2.75642356949E-03
|
|
2.79109510774E-03 2.82620276017E-03 2.86175201242E-03 2.89774841914E-03
|
|
2.93419760482E-03 2.97110526473E-03 3.00847716576E-03 3.04631914734E-03
|
|
3.08463712234E-03 3.12343707804E-03 3.16272507698E-03 3.20250725800E-03
|
|
3.24278983714E-03 3.28357910863E-03 3.32488144586E-03 3.36670330241E-03
|
|
3.40905121302E-03 3.45193179462E-03 3.49535174740E-03 3.53931785579E-03
|
|
3.58383698959E-03 3.62891610499E-03 3.67456224568E-03 3.72078254397E-03
|
|
3.76758422185E-03 3.81497459218E-03 3.86296105978E-03 3.91155112264E-03
|
|
3.96075237302E-03 4.01057249873E-03 4.06101928425E-03 4.11210061197E-03
|
|
4.16382446344E-03 4.21619892061E-03 4.26923216709E-03 4.32293248940E-03
|
|
4.37730827833E-03 4.43236803018E-03 4.48812034814E-03 4.54457394360E-03
|
|
4.60173763754E-03 4.65962036188E-03 4.71823116090E-03 4.77757919264E-03
|
|
4.83767373032E-03 4.89852416383E-03 4.96014000114E-03 5.02253086984E-03
|
|
5.08570651860E-03 5.14967681872E-03 5.21445176568E-03 5.28004148065E-03
|
|
5.34645621214E-03 5.41370633757E-03 5.48180236486E-03 5.55075493415E-03
|
|
5.62057481936E-03 5.69127292999E-03 5.76286031270E-03 5.83534815315E-03
|
|
5.90874777768E-03 5.98307065508E-03 6.05832839842E-03 6.13453276684E-03
|
|
6.21169566738E-03 6.28982915687E-03 6.36894544377E-03 6.44905689012E-03
|
|
6.53017601345E-03 6.61231548874E-03 6.69548815039E-03 6.77970699426E-03
|
|
6.86498517966E-03 6.95133603141E-03 7.03877304195E-03 7.12730987344E-03
|
|
7.21696035988E-03 7.30773850925E-03 7.39965850578E-03 7.49273471206E-03
|
|
7.58698167138E-03 7.68241410994E-03 7.77904693917E-03 7.87689525807E-03
|
|
7.97597435554E-03 8.07629971281E-03 8.17788700583E-03 8.28075210772E-03
|
|
8.38491109127E-03 8.49038023142E-03 8.59717600783E-03 8.70531510745E-03
|
|
8.81481442712E-03 8.92569107622E-03 9.03796237930E-03 9.15164587888E-03
|
|
9.26675933808E-03 9.38332074349E-03 9.50134830791E-03 9.62086047324E-03
|
|
9.74187591335E-03 9.86441353697E-03 9.98849249070E-03 1.01141321619E-02
|
|
1.02413521820E-02 1.03701724290E-02 1.05006130312E-02 1.06326943701E-02
|
|
1.07664370834E-02 1.09018620684E-02 1.10389904853E-02 1.11778437606E-02
|
|
1.13184435900E-02 1.14608119423E-02 1.16049710626E-02 1.17509434758E-02
|
|
1.18987519901E-02 1.20484197006E-02 1.21999699928E-02 1.23534265465E-02
|
|
1.25088133392E-02 1.26661546501E-02 1.28254750637E-02 1.29867994738E-02
|
|
1.31501530874E-02 1.33155614282E-02 1.34830503413E-02 1.36526459968E-02
|
|
1.38243748939E-02 1.39982638651E-02 1.41743400803E-02 1.43526310515E-02
|
|
1.45331646363E-02 1.47159690431E-02 1.49010728347E-02 1.50885049335E-02
|
|
1.52782946255E-02 1.54704715651E-02 1.56650657797E-02 1.58621076743E-02
|
|
1.60616280365E-02 1.62636580410E-02 1.64682292546E-02 1.66753736412E-02
|
|
1.68851235667E-02 1.70975118042E-02 1.73125715388E-02 1.75303363732E-02
|
|
1.77508403326E-02 1.79741178702E-02 1.82002038726E-02 1.84291336651E-02
|
|
1.86609430174E-02 1.88956681490E-02 1.91333457349E-02 1.93740129117E-02
|
|
1.96177072826E-02 1.98644669242E-02 2.01143303918E-02 2.03673367255E-02
|
|
2.06235254568E-02 2.08829366140E-02 2.11456107291E-02 2.14115888437E-02
|
|
2.16809125158E-02 2.19536238260E-02 2.22297653840E-02 2.25093803357E-02
|
|
2.27925123694E-02 2.30792057231E-02 2.33695051909E-02 2.36634561305E-02
|
|
2.39611044701E-02 2.42624967153E-02 2.45676799568E-02 2.48767018776E-02
|
|
2.51896107601E-02 2.55064554943E-02 2.58272855848E-02 2.61521511590E-02
|
|
2.64811029747E-02 2.68141924280E-02 2.71514715613E-02 2.74929930718E-02
|
|
2.78388103192E-02 2.81889773344E-02 2.85435488277E-02 2.89025801975E-02
|
|
2.92661275391E-02 2.96342476530E-02 3.00069980541E-02 3.03844369808E-02
|
|
3.07666234036E-02 3.11536170350E-02 3.15454783380E-02 3.19422685363E-02
|
|
3.23440496235E-02 3.27508843727E-02 3.31628363465E-02 3.35799699068E-02
|
|
3.40023502250E-02 3.44300432918E-02 3.48631159281E-02 3.53016357949E-02
|
|
3.57456714040E-02 3.61952921288E-02 3.66505682153E-02 3.71115707925E-02
|
|
3.75783718841E-02 3.80510444193E-02 3.85296622445E-02 3.90143001346E-02
|
|
3.95050338049E-02 4.00019399226E-02 4.05050961190E-02 4.10145810016E-02
|
|
4.15304741664E-02 4.20528562100E-02 4.25818087427E-02 4.31174144007E-02
|
|
4.36597568594E-02 4.42089208463E-02 4.47649921540E-02 4.53280576542E-02
|
|
4.58982053104E-02 4.64755241924E-02 4.70601044898E-02 4.76520375259E-02
|
|
4.82514157726E-02 4.88583328639E-02 4.94728836114E-02 5.00951640185E-02
|
|
5.07252712955E-02 5.13633038751E-02 5.20093614270E-02 5.26635448744E-02
|
|
5.33259564088E-02 5.39966995065E-02 5.46758789448E-02 5.53636008178E-02
|
|
5.60599725536E-02 5.67651029302E-02 5.74791020935E-02 5.82020815736E-02
|
|
5.89341543026E-02 5.96754346319E-02 6.04260383505E-02 6.11860827025E-02
|
|
6.19556864057E-02 6.27349696699E-02 6.35240542159E-02 6.43230632941E-02
|
|
6.51321217039E-02 6.59513558130E-02 6.67808935772E-02 6.76208645605E-02
|
|
6.84713999546E-02 6.93326326001E-02 7.02046970068E-02 7.10877293743E-02
|
|
7.19818676140E-02 7.28872513698E-02 7.38040220402E-02 7.47323228001E-02
|
|
7.56722986232E-02 7.66240963045E-02 7.75878644830E-02 7.85637536652E-02
|
|
7.95519162476E-02 8.05525065416E-02 8.15656807963E-02 8.25915972236E-02
|
|
8.36304160222E-02 8.46822994029E-02 8.57474116134E-02 8.68259189641E-02
|
|
8.79179898535E-02 8.90237947949E-02 9.01435064422E-02 9.12772996170E-02
|
|
9.24253513358E-02 9.35878408369E-02 9.47649496087E-02 9.59568614176E-02
|
|
9.71637623363E-02 9.83858407727E-02 9.96232874989E-02 1.00876295681E-01
|
|
1.02145060909E-01 1.03429781225E-01 1.04730657158E-01 1.06047891751E-01
|
|
1.07381690592E-01 1.08732261851E-01 1.10099816304E-01 1.11484567373E-01
|
|
1.12886731155E-01 1.14306526453E-01 1.15744174815E-01 1.17199900566E-01
|
|
1.18673930838E-01 1.20166495611E-01 1.21677827746E-01 1.23208163019E-01
|
|
1.24757740157E-01 1.26326800878E-01 1.27915589924E-01 1.29524355098E-01
|
|
1.31153347306E-01 1.32802820590E-01 1.34473032168E-01 1.36164242476E-01
|
|
1.37876715201E-01 1.39610717328E-01 1.41366519172E-01 1.43144394428E-01
|
|
1.44944620201E-01 1.46767477057E-01 1.48613249059E-01 1.50482223809E-01
|
|
1.52374692496E-01 1.54290949931E-01 1.56231294596E-01 1.58196028684E-01
|
|
1.60185458147E-01 1.62199892735E-01 1.64239646044E-01 1.66305035561E-01
|
|
1.68396382706E-01 1.70514012882E-01 1.72658255517E-01 1.74829444111E-01
|
|
1.77027916283E-01 1.79254013814E-01 1.81508082699E-01 1.83790473189E-01
|
|
1.86101539837E-01 1.88441641550E-01 1.90811141628E-01 1.93210407816E-01
|
|
1.95639812349E-01 1.98099731998E-01 2.00590548113E-01 2.03112646673E-01
|
|
2.05666418329E-01 2.08252258448E-01 2.10870567155E-01 2.13521749382E-01
|
|
2.16206214903E-01 2.18924378381E-01 2.21676659406E-01 2.24463482532E-01
|
|
2.27285277316E-01 2.30142478356E-01 2.33035525321E-01 2.35964862983E-01
|
|
2.38930941250E-01 2.41934215190E-01 2.44975145056E-01 2.48054196305E-01
|
|
2.51171839619E-01 2.54328550917E-01 2.57524811360E-01 2.60761107364E-01
|
|
2.64037930592E-01 2.67355777952E-01 2.70715151582E-01 2.74116558833E-01
|
|
2.77560512240E-01 2.81047529490E-01 2.84578133375E-01 2.88152851741E-01
|
|
2.91772217422E-01 2.95436768165E-01 2.99147046544E-01 3.02903599852E-01
|
|
3.06706979989E-01 3.10557743326E-01 3.14456450554E-01 3.18403666515E-01
|
|
3.22399960006E-01 3.26445903568E-01 3.30542073247E-01 3.34689048325E-01
|
|
3.38887411024E-01 3.43137746184E-01 3.47440640895E-01 3.51796684103E-01
|
|
3.56206466169E-01 3.60670578386E-01 3.65189612452E-01 3.69764159884E-01
|
|
3.74394811389E-01 3.79082156163E-01 3.83826781134E-01 3.88629270132E-01
|
|
3.93490202986E-01 3.98410154535E-01 4.03389693564E-01 4.08429381630E-01
|
|
4.13529771798E-01 4.18691407270E-01 4.23914819883E-01 4.29200528502E-01
|
|
4.34549037259E-01 4.39960833657E-01 4.45436386520E-01 4.50976143771E-01
|
|
4.56580530033E-01 4.62249944042E-01 4.67984755856E-01 4.73785303840E-01
|
|
4.79651891426E-01 4.85584783622E-01 4.91584203255E-01 4.97650326934E-01
|
|
5.03783280717E-01 5.09983135460E-01 5.16249901824E-01 5.22583524937E-01
|
|
5.28983878674E-01 5.35450759539E-01 5.41983880133E-01 5.48582862185E-01
|
|
5.55247229119E-01 5.61976398136E-01 5.68769671805E-01 5.75626229118E-01
|
|
5.82545116007E-01 5.89525235297E-01 5.96565336081E-01 6.03664002495E-01
|
|
6.10819641886E-01 6.18030472357E-01 6.25294509691E-01 6.32609553638E-01
|
|
6.39973173575E-01 6.47382693543E-01 6.54835176682E-01 6.62327409073E-01
|
|
6.69855883028E-01 6.77416779862E-01 6.85005952200E-01 6.92618905883E-01
|
|
7.00250781551E-01 7.07896335990E-01 7.15549923357E-01 7.23205476416E-01
|
|
7.30856487925E-01 7.38495992340E-01 7.46116548048E-01 7.53710220327E-01
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7.61268565291E-01 7.68782615080E-01 7.76242864613E-01 7.83639260211E-01
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7.90961190472E-01 7.98197479766E-01 8.05336384785E-01 8.12365594570E-01
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8.19272234501E-01 8.26042874729E-01 8.32663543554E-01 8.39119746262E-01
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8.45396489943E-01 8.51478314806E-01 8.57349332468E-01 8.62993271713E-01
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8.68393532129E-01 8.73533245999E-01 8.78395348748E-01 8.82962658137E-01
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8.87217962313E-01 8.91144116654E-01 8.94724149219E-01 8.97941374422E-01
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9.00779514348E-01 9.03222826910E-01 9.05256239801E-01 9.06865488938E-01
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9.08037259827E-01 9.08759329990E-01 9.09020710316E-01 9.08811782936E-01
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9.08124432934E-01 9.06952170995E-01 9.05290243863E-01 9.03135729349E-01
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9.00487612508E-01 8.97346839609E-01 8.93716346555E-01 8.89601058611E-01
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8.85007858568E-01 8.79945520911E-01 8.74424610131E-01 8.68457342102E-01
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8.62057408407E-01 8.55239764686E-01 8.48020385556E-01 8.40415990435E-01
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8.32443746720E-01 8.24120959345E-01 8.15464758807E-01 8.06491803398E-01
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7.97218015734E-01 7.87658378836E-01 7.77826823116E-01 7.67736242807E-01
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7.57398688715E-01 7.46825779951E-01 7.36029208713E-01 7.25020882220E-01
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7.13812914430E-01 7.02417605571E-01 6.90847420859E-01 6.79114968436E-01
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6.67232976578E-01 6.55214270216E-01 6.43071746836E-01 6.30818351838E-01
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6.18467053447E-01 6.06030817264E-01 5.93522580596E-01 5.80955226669E-01
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5.68341558870E-01 5.55694275174E-01 5.43025942884E-01 5.30348973872E-01
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5.17675600442E-01 5.05017852000E-01 4.92387532670E-01 4.79796199991E-01
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4.67255144836E-01 4.54775372673E-01 4.42367586250E-01 4.30042169812E-01
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4.17809174886E-01 4.05678307696E-01 3.93658918211E-01 3.81759990823E-01
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3.69990136636E-01 3.58357587308E-01 3.46870190380E-01 3.35535406001E-01
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3.24360304964E-01 3.13351567901E-01 3.02515485552E-01 2.91857959943E-01
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2.81384506351E-01 2.71100255918E-01 2.61009958780E-01 2.51117987590E-01
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2.04760130872E-01 1.96129297086E-01 1.87717161224E-01 1.79525219917E-01
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1.71554628462E-01 1.63806204883E-01 1.56280434133E-01 1.48977472474E-01
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1.41897152153E-01 1.35038986418E-01 1.28402174984E-01 1.21985610019E-01
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1.15787882712E-01 1.09807290499E-01 1.04041844983E-01 9.84892806061E-02
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9.31470640697E-02 8.80124045347E-02 8.30822645845E-02 7.83533719319E-02
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7.38222318382E-02 6.94851401969E-02 6.53381972249E-02 6.13773216956E-02
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5.75982656388E-02 5.39966294260E-02 5.05678771573E-02 4.73073522608E-02
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4.42102932140E-02 4.12718492995E-02 3.84870963039E-02 3.58510520756E-02
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3.33586918572E-02 3.10049633141E-02 2.87848011861E-02 2.66931414917E-02
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2.47249352242E-02 2.28751614816E-02 2.11388399817E-02 1.95110429169E-02
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1.79869061134E-02 1.65616394632E-02 1.52305366049E-02 1.39889838356E-02
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1.28324682421E-02 1.17565850446E-02 1.07570441528E-02 9.82967593920E-03
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8.97043623794E-03 8.17541058421E-03 7.44081771119E-03 6.76301232683E-03
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6.13848719526E-03 5.56387455077E-03 5.03594687525E-03 4.55161707169E-03
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4.10793806846E-03 3.70210189071E-03 3.33143823607E-03 2.99341259286E-03
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2.68562393946E-03 2.40580206363E-03 2.15180454053E-03 1.92161340784E-03
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1.71333157563E-03 1.52517900801E-03 1.35548871220E-03 1.20270256993E-03
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1.06536704402E-03 9.42128792080E-04 8.31730217156E-04 7.33004983511E-04
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2.16788490621E-04 1.87569124127E-04 1.61968687010E-04 1.39583649387E-04
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1.20049612530E-04 1.03038225281E-04 8.82542627558E-05 7.54328674614E-05
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6.43370375192E-05 5.47558639004E-05 4.65005685323E-05 3.94032539608E-05
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3.33150222426E-05 2.81041314618E-05 2.36542925254E-05 1.98631000998E-05
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1.66405912887E-05 1.39079254717E-05 1.15961786152E-05 9.64524531702E-06
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8.00284186364E-06 6.62360364498E-06 5.46827038695E-06 4.50295281900E-06
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3.69847458628E-06 3.02978343886E-06 2.47542597761E-06 2.01708050339E-06
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1.63914279764E-06 1.32835995376E-06 1.07350767690E-06 8.65106768928E-07
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6.95174814517E-07 5.57009378841E-07 4.44999315429E-07 3.54461062043E-07
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2.81497071178E-07 2.22873778536E-07 1.75916756386E-07 1.38420928482E-07
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1.08573938382E-07 8.48909635926E-08 6.61594536846E-08 5.13924416412E-08
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3.97892345181E-08 3.07024323957E-08 2.36103542193E-08 1.80940660551E-08
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1.38183122700E-08 1.05157439288E-08 7.97392207811E-09 6.02464734995E-09
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4.53523227021E-09 3.40138957254E-09 2.54145946009E-09 1.89174185002E-09
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1.40273686726E-09 1.03612887280E-09 7.62376720442E-10 5.58796290721E-10
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4.08041164265E-10 2.96904034123E-10 2.15375542325E-10 1.55909043494E-10
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1.12849696893E-10 8.13329864759E-11 5.83642438547E-11 4.16981821515E-11
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2.96587942491E-11 2.10005980960E-11 1.48022258524E-11 1.03851950301E-11
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7.25219241783E-12 5.04040527066E-12 3.48639987050E-12 2.39981816386E-12
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1.64377489665E-12 1.12032068407E-12 7.59715809942E-13 5.12555889369E-13
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3.44020761481E-13 2.29695874548E-13 1.52552122979E-13 1.00774551960E-13
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6.62097170669E-14 4.32614559579E-14 2.81098810661E-14 1.81620521062E-14
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1.16677746171E-14 7.45241677338E-15 4.73217305722E-15 2.98707740542E-15
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1.87422747627E-15 1.16884055640E-15 7.24456248863E-16 4.46230574707E-16
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2.73125773313E-16 1.66106926692E-16 1.00368992949E-16 6.02507949175E-17
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3.59287052839E-17 2.12813735891E-17 1.25198844334E-17 7.31486595838E-18
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4.24404672108E-18 2.44502633963E-18 1.39854975008E-18 7.94189598138E-19
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4.47695550984E-19 2.50503377839E-19 1.39115662460E-19 7.66706249929E-20
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4.19305824041E-20 2.27530468187E-20 1.22493298475E-20 6.54193151174E-21
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3.46558695116E-21 1.82087631438E-21 9.48794316181E-22 4.90237194667E-22
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2.51152209514E-22 1.27560946904E-22 6.42245827840E-23 3.20508772865E-23
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1.58520440000E-23 7.76941593742E-24 3.77311160714E-24 1.81538567945E-24
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8.65257353277E-25 4.08486171322E-25 1.90991026970E-25 8.84299414721E-26
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4.05399341370E-26 1.83996666319E-26 8.26656891704E-27 3.67598359363E-27
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1.61770226766E-27 7.04439163009E-28 3.03494381221E-28 1.29348606460E-28
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5.45277688288E-29 2.27331056431E-29 9.37182832657E-30 3.81990948025E-30
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1.53915699607E-30 6.12986627183E-31 2.41264624087E-31 9.38310116369E-32
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3.60532134661E-32 1.36842278110E-32 5.12989432170E-33 1.89906828021E-33
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6.94141737057E-34 2.50473433402E-34 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00
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3S 0 0.00 Wavefunction
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7.53180024634E-05 7.62653862916E-05 7.72246867407E-05 7.81960537034E-05
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7.91796389578E-05 8.01755961909E-05 8.11840810230E-05 8.22052510321E-05
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8.32392657778E-05 8.42862868272E-05 8.53464777792E-05 8.64200042909E-05
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8.75070341030E-05 8.86077370659E-05 8.97222851667E-05 9.08508525558E-05
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9.19936155741E-05 9.31507527806E-05 9.43224449803E-05 9.55088752523E-05
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9.67102289789E-05 9.79266938738E-05 9.91584600122E-05 1.00405719860E-04
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1.01668668304E-04 1.02947502682E-04 1.04242422815E-04 1.05553631037E-04
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1.06881332226E-04 1.08225733838E-04 1.09587045939E-04 1.10965481237E-04
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1.12361255114E-04 1.13774585664E-04 1.15205693721E-04 1.16654802900E-04
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1.18122139626E-04 1.19607933174E-04 1.21112415701E-04 1.22635822286E-04
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1.24178390965E-04 1.25740362767E-04 1.27321981753E-04 1.28923495053E-04
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1.30545152908E-04 1.32187208705E-04 1.33849919018E-04 1.35533543648E-04
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1.37238345666E-04 1.38964591450E-04 1.40712550729E-04 1.42482496626E-04
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1.44274705697E-04 1.46089457979E-04 1.47927037031E-04 1.49787729977E-04
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1.51671827554E-04 1.53579624157E-04 1.55511417882E-04 1.57467510575E-04
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1.59448207880E-04 1.61453819285E-04 1.63484658170E-04 1.65541041857E-04
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1.67623291661E-04 1.69731732936E-04 1.71866695131E-04 1.74028511838E-04
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1.76217520844E-04 1.78434064186E-04 1.80678488204E-04 1.82951143592E-04
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1.85252385458E-04 1.87582573373E-04 1.89942071436E-04 1.92331248321E-04
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1.94750477343E-04 1.97200136509E-04 1.99680608583E-04 2.02192281145E-04
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2.04735546647E-04 2.07310802478E-04 2.09918451029E-04 2.12558899747E-04
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2.15232561209E-04 2.17939853178E-04 2.20681198673E-04 2.23457026035E-04
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2.26267768992E-04 2.29113866727E-04 2.31995763948E-04 2.34913910957E-04
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2.37868763718E-04 2.40860783933E-04 2.43890439110E-04 2.46958202638E-04
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2.50064553860E-04 2.53209978150E-04 2.56394966983E-04 2.59620018022E-04
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2.62885635184E-04 2.66192328729E-04 2.69540615332E-04 2.72931018169E-04
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2.76364066996E-04 2.79840298233E-04 2.83360255045E-04 2.86924487433E-04
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2.90533552312E-04 2.94188013605E-04 2.97888442328E-04 3.01635416677E-04
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3.05429522124E-04 3.09271351504E-04 3.13161505108E-04 3.17100590778E-04
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3.21089224002E-04 3.25128028011E-04 3.29217633873E-04 3.33358680595E-04
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3.37551815221E-04 3.41797692936E-04 3.46096977163E-04 3.50450339671E-04
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3.54858460679E-04 3.59322028963E-04 3.63841741960E-04 3.68418305881E-04
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3.73052435822E-04 3.77744855870E-04 3.82496299222E-04 3.87307508298E-04
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3.92179234854E-04 3.97112240103E-04 4.02107294834E-04 4.07165179529E-04
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4.12286684489E-04 4.17472609955E-04 4.22723766233E-04 4.28040973821E-04
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4.33425063541E-04 4.38876876660E-04 4.44397265030E-04 4.49987091216E-04
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4.55647228636E-04 4.61378561690E-04 4.67181985904E-04 4.73058408068E-04
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4.79008746378E-04 4.85033930579E-04 4.91134902111E-04 4.97312614255E-04
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5.03568032283E-04 5.09902133608E-04 5.16315907937E-04 5.22810357427E-04
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5.29386496839E-04 5.36045353698E-04 5.42787968453E-04 5.49615394642E-04
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5.56528699052E-04 5.63528961890E-04 5.70617276949E-04 5.77794751780E-04
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5.85062507865E-04 5.92421680793E-04 5.99873420435E-04 6.07418891127E-04
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6.15059271848E-04 6.22795756408E-04 6.30629553633E-04 6.38561887552E-04
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6.46593997591E-04 6.54727138765E-04 6.62962581876E-04 6.71301613708E-04
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6.79745537233E-04 6.88295671809E-04 6.96953353391E-04 7.05719934736E-04
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7.14596785616E-04 7.23585293034E-04 7.32686861436E-04 7.41902912935E-04
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7.51234887530E-04 7.60684243333E-04 7.70252456795E-04 7.79941022938E-04
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7.89751455590E-04 7.99685287617E-04 8.09744071165E-04 8.19929377906E-04
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8.30242799277E-04 8.40685946732E-04 8.51260451995E-04 8.61967967313E-04
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8.72810165713E-04 8.83788741267E-04 8.94905409354E-04 9.06161906926E-04
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9.17559992785E-04 9.29101447854E-04 9.40788075454E-04 9.52621701589E-04
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9.64604175230E-04 9.76737368601E-04 9.89023177477E-04 1.00146352147E-03
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1.01406034436E-03 1.02681561433E-03 1.03973132437E-03 1.05280949249E-03
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1.06605216211E-03 1.07946140235E-03 1.09303930834E-03 1.10678800156E-03
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1.12070963020E-03 1.13480636943E-03 1.14908042180E-03 1.16353401757E-03
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1.17816941503E-03 1.19298890087E-03 1.20799479057E-03 1.22318942871E-03
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1.23857518935E-03 1.25415447642E-03 1.26992972409E-03 1.28590339714E-03
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1.30207799133E-03 1.31845603384E-03 1.33504008362E-03 1.35183273180E-03
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1.36883660209E-03 1.38605435122E-03 1.40348866931E-03 1.42114228033E-03
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|
1.43901794249E-03 1.45711844871E-03 1.47544662703E-03 1.49400534103E-03
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1.51279749034E-03 1.53182601102E-03 1.55109387610E-03 1.57060409595E-03
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1.59035971884E-03 1.61036383135E-03 1.63061955888E-03 1.65113006614E-03
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1.67189855763E-03 1.69292827817E-03 1.71422251337E-03 1.73578459015E-03
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1.75761787728E-03 1.77972578589E-03 1.80211177002E-03 1.82477932713E-03
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1.84773199865E-03 1.87097337058E-03 1.89450707397E-03 1.91833678558E-03
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1.94246622835E-03 1.96689917209E-03 1.99163943396E-03 2.01669087917E-03
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2.04205742150E-03 2.06774302396E-03 2.09375169937E-03 2.12008751104E-03
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2.14675457334E-03 2.17375705241E-03 2.20109916673E-03 2.22878518787E-03
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2.25681944107E-03 2.28520630597E-03 2.31395021728E-03 2.34305566546E-03
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2.37252719745E-03 2.40236941732E-03 2.43258698705E-03 2.46318462725E-03
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2.49416711785E-03 2.52553929889E-03 2.55730607126E-03 2.58947239745E-03
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2.62204330237E-03 2.65502387406E-03 2.68841926457E-03 2.72223469068E-03
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2.75647543478E-03 2.79114684563E-03 2.82625433928E-03 2.86180339982E-03
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2.89779958029E-03 2.93424850354E-03 2.97115586309E-03 3.00852742405E-03
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3.04636902396E-03 3.08468657375E-03 3.12348605867E-03 3.16277353915E-03
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3.20255515184E-03 3.24283711049E-03 3.28362570695E-03 3.32492731215E-03
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3.36674837709E-03 3.40909543384E-03 3.45197509655E-03 3.49539406251E-03
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-6.22995466954E-09 -4.61903497934E-09 -3.41105636004E-09 -2.50904635543E-09
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-1.83844831443E-09 -1.34219736839E-09 -9.76826393996E-10 -7.09403167460E-10
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|
-5.15136610232E-10 -3.72421032677E-10 -2.68043003104E-10 -1.92047623137E-10
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|
-1.36969216835E-10 -9.72347853755E-11 -6.87036420779E-11 -4.83138577123E-11
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|
-3.38120611999E-11 -2.35479629441E-11 -1.63188769951E-11 -1.12526690855E-11
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|
-7.72008292699E-12 -5.26940967998E-12 -3.57806017337E-12 -2.41685576015E-12
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-1.62383772288E-12 -1.08516142032E-12 -7.21234590078E-13 -4.76715769691E-13
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-3.13338075444E-13 -2.04789194800E-13 -1.33079226095E-13 -8.59788465391E-14
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-5.52229300627E-14 -3.52583290271E-14 -2.23761835442E-14 -1.41143039625E-14
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-8.84807538916E-15 -5.51214176022E-15 -3.41224377590E-15 -2.09881081459E-15
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|
-1.28258198172E-15 -7.78646184435E-16 -4.69572342039E-16 -2.81278067312E-16
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|
-1.67341428017E-16 -9.88708070856E-17 -5.80085476074E-17 -3.37938000507E-17
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-1.95462988411E-17 -1.12236821145E-17 -6.39749360201E-18 -3.61949434139E-18
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-2.03239836839E-18 -1.13253467909E-18 -6.26230536402E-19 -3.43569680628E-19
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-1.87003849639E-19 -1.00971339317E-19 -5.40771412139E-20 -2.87245346382E-20
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-1.51311180750E-20 -7.90355150397E-21 -4.09317900265E-21 -2.10154998159E-21
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-1.06957689102E-21 -5.39547608553E-22 -2.69739516494E-22 -1.33631049198E-22
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-6.55946658389E-23 -3.18990484179E-23 -1.53668224193E-23 -7.33222865426E-24
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-3.46482498394E-24 -1.62131393311E-24 -7.51172892530E-25 -3.44544621484E-25
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-1.56433200459E-25 -7.02966609653E-26 -3.12612612561E-26 -1.37558471571E-26
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-5.98852036253E-27 -2.57896015789E-27 -1.09850865459E-27 -4.62739071158E-28
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-1.92744516491E-28 -7.93742505144E-29 -3.23122193026E-29 -1.30011119474E-29
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-5.16960059886E-30 -2.03110178342E-30 -7.88386528896E-31 -3.02282703492E-31
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-1.14468751753E-31
|
|
2P 1 1.50 Wavefunction
|
|
8.96669469332E-08 9.19368764180E-08 9.42642694370E-08 9.66505806863E-08
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9.90973016878E-08 1.01605961721E-07 1.04178128781E-07 1.06815410554E-07
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1.09519455427E-07 1.12291953516E-07 1.15134637722E-07 1.18049284814E-07
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1.21037716542E-07 1.24101800771E-07 1.27243452655E-07 1.30464635826E-07
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1.33767363629E-07 1.37153700375E-07 1.40625762635E-07 1.44185720559E-07
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1.47835799236E-07 1.51578280084E-07 1.55415502274E-07 1.59349864194E-07
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1.63383824947E-07 1.67519905890E-07 1.71760692205E-07 1.76108834523E-07
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1.80567050571E-07 1.85138126880E-07 1.89824920518E-07 1.94630360885E-07
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1.99557451534E-07 2.04609272056E-07 2.09788980003E-07 2.15099812858E-07
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|
2.20545090064E-07 2.26128215093E-07 2.31852677580E-07 2.37722055497E-07
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2.43740017395E-07 2.49910324693E-07 2.56236834032E-07 2.62723499685E-07
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2.69374376025E-07 2.76193620065E-07 2.83185494050E-07 2.90354368128E-07
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|
2.97704723074E-07 3.05241153096E-07 3.12968368705E-07 3.20891199659E-07
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3.29014597981E-07 3.37343641055E-07 3.45883534802E-07 3.54639616926E-07
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3.63617360261E-07 3.72822376184E-07 3.82260418123E-07 3.91937385157E-07
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4.01859325700E-07 4.12032441282E-07 4.22463090424E-07 4.33157792615E-07
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4.44123232387E-07 4.55366263487E-07 4.66893913170E-07 4.78713386582E-07
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4.90832071272E-07 5.03257541803E-07 5.15997564490E-07 5.29060102251E-07
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5.42453319587E-07 5.56185587685E-07 5.70265489647E-07 5.84701825860E-07
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5.99503619489E-07 6.14680122126E-07 6.30240819564E-07 6.46195437731E-07
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6.62553948768E-07 6.79326577259E-07 6.96523806628E-07 7.14156385685E-07
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7.32235335346E-07 7.50771955524E-07 7.69777832189E-07 7.89264844612E-07
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8.09245172786E-07 8.29731305043E-07 8.50736045857E-07 8.72272523848E-07
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8.94354199988E-07 9.16994876014E-07 9.40208703055E-07 9.64010190476E-07
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9.88414214947E-07 1.01343602974E-06 1.03909127427E-06 1.06539598386E-06
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1.09236659977E-06 1.12001997946E-06 1.14837340715E-06 1.17744460461E-06
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1.20725174223E-06 1.23781345040E-06 1.26914883110E-06 1.30127746993E-06
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1.33421944827E-06 1.36799535585E-06 1.40262630365E-06 1.43813393706E-06
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1.47454044945E-06 1.51186859597E-06 1.55014170787E-06 1.58938370698E-06
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1.62961912074E-06 1.67087309750E-06 1.71317142224E-06 1.75654053267E-06
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1.80100753579E-06 1.84660022480E-06 1.89334709650E-06 1.94127736906E-06
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1.99042100034E-06 2.04080870655E-06 2.09247198149E-06 2.14544311625E-06
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2.19975521932E-06 2.25544223736E-06 2.31253897639E-06 2.37108112353E-06
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2.43110526933E-06 2.49264893060E-06 2.55575057391E-06 2.62044963961E-06
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2.68678656646E-06 2.75480281694E-06 2.82454090314E-06 2.89604441334E-06
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2.96935803925E-06 3.04452760395E-06 3.12160009052E-06 3.20062367143E-06
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3.28164773860E-06 3.36472293433E-06 3.44990118288E-06 3.53723572301E-06
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3.62678114119E-06 3.71859340573E-06 3.81272990177E-06 3.90924946717E-06
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4.00821242923E-06 4.10968064243E-06 4.21371752708E-06 4.32038810898E-06
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4.42975906001E-06 4.54189873988E-06 4.65687723877E-06 4.77476642118E-06
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4.89563997086E-06 5.01957343682E-06 5.14664428060E-06 5.27693192463E-06
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5.41051780191E-06 5.54748540689E-06 5.68792034764E-06 5.83191039938E-06
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5.97954555934E-06 6.13091810298E-06 6.28612264169E-06 6.44525618191E-06
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6.60841818575E-06 6.77571063316E-06 6.94723808569E-06 7.12310775181E-06
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7.30342955392E-06 7.48831619705E-06 7.67788323931E-06 7.87224916411E-06
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8.07153545420E-06 8.27586666761E-06 8.48537051547E-06 8.70017794187E-06
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8.92042320566E-06 9.14624396438E-06 9.37778136026E-06 9.61518010850E-06
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9.85858858764E-06 1.01081589323E-05 1.03640471284E-05 1.06264131104E-05
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1.08954208614E-05 1.11712385156E-05 1.14540384635E-05 1.17439974595E-05
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1.20412967322E-05 1.23461220981E-05 1.26586640774E-05 1.29791180130E-05
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1.33076841930E-05 1.36445679753E-05 1.39899799165E-05 1.43441359030E-05
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1.47072572864E-05 1.50795710213E-05 1.54613098076E-05 1.58527122358E-05
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1.62540229357E-05 1.66654927300E-05 1.70873787905E-05 1.75199447989E-05
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1.79634611119E-05 1.84182049296E-05 1.88844604693E-05 1.93625191429E-05
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1.98526797386E-05 2.03552486085E-05 2.08705398591E-05 2.13988755483E-05
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2.19405858862E-05 2.24960094417E-05 2.30654933541E-05 2.36493935497E-05
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2.42480749647E-05 2.48619117728E-05 2.54912876193E-05 2.61365958607E-05
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2.67982398105E-05 2.74766329914E-05 2.81721993934E-05 2.88853737389E-05
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2.96166017546E-05 3.03663404495E-05 3.11350584008E-05 3.19232360466E-05
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3.27313659861E-05 3.35599532875E-05 3.44095158034E-05 3.52805844946E-05
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3.61737037615E-05 3.70894317848E-05 3.80283408736E-05 3.89910178235E-05
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3.99780642832E-05 4.09900971300E-05 4.20277488556E-05 4.30916679613E-05
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4.41825193629E-05 4.53009848063E-05 4.64477632933E-05 4.76235715186E-05
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4.88291443171E-05 5.00652351236E-05 5.13326164429E-05 5.26320803327E-05
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5.39644388984E-05 5.53305248006E-05 5.67311917747E-05 5.81673151651E-05
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5.96397924711E-05 6.11495439084E-05 6.26975129833E-05 6.42846670824E-05
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6.59119980767E-05 6.75805229415E-05 6.92912843913E-05 7.10453515311E-05
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7.28438205245E-05 7.46878152782E-05 7.65784881439E-05 7.85170206382E-05
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8.05046241803E-05 8.25425408490E-05 8.46320441582E-05 8.67744398521E-05
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8.89710667212E-05 9.12232974376E-05 9.35325394132E-05 9.59002356777E-05
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9.83278657805E-05 1.00816946714E-04 1.03369033861E-04 1.05985721967E-04
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1.08668646133E-04 1.11419482842E-04 1.14239950998E-04 1.17131813008E-04
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1.20096875874E-04 1.23136992327E-04 1.26254061981E-04 1.29450032521E-04
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1.32726900917E-04 1.36086714670E-04 1.39531573093E-04 1.43063628619E-04
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1.46685088145E-04 1.50398214410E-04 1.54205327409E-04 1.58108805835E-04
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1.62111088573E-04 1.66214676212E-04 1.70422132614E-04 1.74736086507E-04
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1.79159233132E-04 1.83694335920E-04 1.88344228216E-04 1.93111815051E-04
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1.98000074952E-04 2.03012061799E-04 2.08150906732E-04 2.13419820104E-04
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2.18822093483E-04 2.24361101707E-04 2.30040304985E-04 2.35863251060E-04
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2.41833577416E-04 2.47955013554E-04 2.54231383311E-04 2.60666607245E-04
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2.67264705085E-04 2.74029798230E-04 2.80966112324E-04 2.88077979887E-04
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2.95369843019E-04 3.02846256163E-04 3.10511888952E-04 3.18371529110E-04
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3.26430085443E-04 3.34692590894E-04 3.43164205682E-04 3.51850220512E-04
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3.60756059877E-04 3.69887285432E-04 3.79249599461E-04 3.88848848429E-04
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3.98691026622E-04 4.08782279878E-04 4.19128909417E-04 4.29737375763E-04
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4.40614302763E-04 4.51766481716E-04 4.63200875595E-04 4.74924623381E-04
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4.86945044509E-04 4.99269643415E-04 5.11906114215E-04 5.24862345480E-04
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5.38146425152E-04 5.51766645568E-04 5.65731508617E-04 5.80049731029E-04
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5.94730249793E-04 6.09782227707E-04 6.25215059082E-04 6.41038375570E-04
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6.57262052153E-04 6.73896213278E-04 6.90951239144E-04 7.08437772148E-04
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7.26366723493E-04 7.44749279963E-04 7.63596910866E-04 7.82921375150E-04
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8.02734728702E-04 8.23049331826E-04 8.43877856908E-04 8.65233296276E-04
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8.87128970255E-04 9.09578535424E-04 9.32595993077E-04 9.56195697903E-04
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9.80392366873E-04 1.00520108836E-03 1.03063733148E-03 1.05671695566E-03
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1.08345622046E-03 1.11087179564E-03 1.13898077147E-03 1.16780066927E-03
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1.19734945228E-03 1.22764553675E-03 1.25870780331E-03 1.29055560864E-03
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1.32320879743E-03 1.35668771460E-03 1.39101321791E-03 1.42620669077E-03
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1.46229005547E-03 1.49928578666E-03 1.53721692524E-03 1.57610709253E-03
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1.61598050481E-03 1.65686198825E-03 1.69877699417E-03 1.74175161471E-03
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1.78581259887E-03 1.83098736893E-03 1.87730403733E-03 1.92479142391E-03
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1.97347907360E-03 2.02339727457E-03 2.07457707677E-03 2.12705031099E-03
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2.18084960834E-03 2.23600842023E-03 2.29256103888E-03 2.35054261823E-03
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2.40998919549E-03 2.47093771311E-03 2.53342604138E-03 2.59749300150E-03
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2.66317838929E-03 2.73052299942E-03 2.79956865025E-03 2.87035820934E-03
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2.94293561943E-03 3.01734592525E-03 3.09363530080E-03 3.17185107742E-03
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3.25204177249E-03 3.33425711881E-03 3.41854809472E-03 3.50496695499E-03
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3.59356726232E-03 3.68440391978E-03 3.77753320388E-03 3.87301279853E-03
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3.97090182979E-03 4.07126090142E-03 4.17415213132E-03 4.27963918888E-03
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4.38778733311E-03 4.49866345180E-03 4.61233610154E-03 4.72887554872E-03
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4.84835381148E-03 4.97084470271E-03 5.09642387400E-03 5.22516886067E-03
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5.35715912784E-03 5.49247611762E-03 5.63120329737E-03 5.77342620908E-03
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5.91923251997E-03 6.06871207422E-03 6.22195694590E-03 6.37906149314E-03
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6.54012241360E-03 6.70523880113E-03 6.87451220381E-03 7.04804668334E-03
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7.22594887567E-03 7.40832805318E-03 7.59529618816E-03 7.78696801777E-03
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7.98346111049E-03 8.18489593403E-03 8.39139592482E-03 8.60308755898E-03
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8.82010042501E-03 9.04256729791E-03 9.27062421515E-03 9.50441055415E-03
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9.74406911154E-03 9.98974618419E-03 1.02415916519E-02 1.04997590621E-02
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1.07644057159E-02 1.10356927569E-02 1.13137852606E-02 1.15988523270E-02
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1.18910671744E-02 1.21906072355E-02 1.24976542550E-02 1.28123943902E-02
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1.31350183124E-02 1.34657213119E-02 1.38047034036E-02 1.41521694357E-02
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1.45083292007E-02 1.48733975475E-02 1.52475944973E-02 1.56311453604E-02
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1.60242808559E-02 1.64272372338E-02 1.68402563993E-02 1.72635860390E-02
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1.76974797503E-02 1.81421971727E-02 1.85980041213E-02 1.90651727232E-02
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1.95439815559E-02 2.00347157887E-02 2.05376673259E-02 2.10531349526E-02
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2.15814244836E-02 2.21228489136E-02 2.26777285713E-02 2.32463912742E-02
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2.38291724877E-02 2.44264154851E-02 2.50384715108E-02 2.56656999457E-02
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2.63084684752E-02 2.69671532589E-02 2.76421391031E-02 2.83338196356E-02
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2.90425974824E-02 2.97688844465E-02 3.05131016896E-02 3.12756799142E-02
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3.20570595496E-02 3.28576909381E-02 3.36780345240E-02 3.45185610439E-02
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3.53797517185E-02 3.62620984458E-02 3.71661039961E-02 3.80922822072E-02
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3.90411581820E-02 4.00132684852E-02 4.10091613423E-02 4.20293968383E-02
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4.30745471161E-02 4.41451965765E-02 4.52419420763E-02 4.63653931268E-02
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4.75161720919E-02 4.86949143841E-02 4.99022686601E-02 5.11388970143E-02
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5.24054751702E-02 5.37026926694E-02 5.50312530582E-02 5.63918740698E-02
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5.77852878044E-02 5.92122409033E-02 6.06734947196E-02 6.21698254832E-02
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6.37020244592E-02 6.52708981012E-02 6.68772681961E-02 6.85219720016E-02
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7.02058623755E-02 7.19298078947E-02 7.36946929652E-02 7.55014179197E-02
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7.73508991048E-02 7.92440689537E-02 8.11818760462E-02 8.31652851532E-02
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8.51952772653E-02 8.72728496039E-02 8.93990156137E-02 9.15748049364E-02
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9.38012633616E-02 9.60794527564E-02 9.84104509708E-02 1.00795351716E-01
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1.03235264419E-01 1.05731314043E-01 1.08284640881E-01 1.10896400316E-01
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1.13567762544E-01 1.16299912264E-01 1.19094048329E-01 1.21951383351E-01
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1.24873143265E-01 1.27860566855E-01 1.30914905217E-01 1.34037421182E-01
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1.37229388682E-01 1.40492092061E-01 1.43826825322E-01 1.47234891316E-01
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1.50717600865E-01 1.54276271815E-01 1.57912228012E-01 1.61626798216E-01
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1.65421314919E-01 1.69297113092E-01 1.73255528839E-01 1.77297897964E-01
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1.81425554443E-01 1.85639828792E-01 1.89942046342E-01 1.94333525397E-01
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1.98815575286E-01 2.03389494302E-01 2.08056567510E-01 2.12818064443E-01
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2.17675236663E-01 2.22629315182E-01 2.27681507759E-01 2.32832996039E-01
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2.38084932557E-01 2.43438437578E-01 2.48894595794E-01 2.54454452847E-01
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2.60119011699E-01 2.65889228823E-01 2.71766010227E-01 2.77750207302E-01
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2.83842612489E-01 2.90043954758E-01 2.96354894913E-01 3.02776020699E-01
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3.09307841727E-01 3.15950784200E-01 3.22705185456E-01 3.29571288316E-01
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3.36549235240E-01 3.43639062299E-01 3.50840692953E-01 3.58153931650E-01
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3.65578457249E-01 3.73113816265E-01 3.80759415949E-01 3.88514517212E-01
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3.96378227402E-01 4.04349492937E-01 4.12427091825E-01 4.20609626067E-01
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4.28895513972E-01 4.37282982403E-01 4.45770058961E-01 4.54354564152E-01
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4.63034103549E-01 4.71806059978E-01 4.80667585764E-01 4.89615595072E-01
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4.98646756375E-01 5.07757485092E-01 5.16943936443E-01 5.26201998556E-01
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5.35527285895E-01 5.44915133038E-01 5.54360588888E-01 5.63858411351E-01
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5.73403062565E-01 5.82988704733E-01 5.92609196639E-01 6.02258090905E-01
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6.11928632089E-01 6.21613755672E-01 6.31306088034E-01 6.40997947501E-01
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6.50681346532E-01 6.60347995145E-01 6.69989305655E-01 6.79596398821E-01
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6.89160111472E-01 6.98671005708E-01 7.08119379737E-01 7.17495280442E-01
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7.26788517740E-01 7.35988680795E-01 7.45085156151E-01 7.54067147831E-01
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7.62923699435E-01 7.71643718287E-01 7.80216001623E-01 7.88629264838E-01
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7.96872171778E-01 8.04933367040E-01 8.12801510244E-01 8.20465312191E-01
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8.27913572837E-01 8.35135220958E-01 8.42119355370E-01 8.48855287546E-01
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8.55332585446E-01 8.61541118334E-01 8.67471102351E-01 8.73113146576E-01
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8.78458299267E-01 8.83498093981E-01 8.88224595200E-01 8.92630443118E-01
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8.96708897168E-01 9.00453877902E-01 9.03860006760E-01 9.06922643317E-01
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9.09637919518E-01 9.12002770451E-01 9.14014961198E-01 9.15673109281E-01
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9.16976702259E-01 9.17926110027E-01 9.18522591399E-01 9.18768294559E-01
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9.18666251034E-01 9.18220362846E-01 9.17435382553E-01 9.16316885964E-01
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9.14871237331E-01 9.13105546919E-01 9.11027620910E-01 9.08645903673E-01
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9.05969412522E-01 9.03007665179E-01 8.99770600232E-01 8.96268491016E-01
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8.92511853432E-01 8.88511348339E-01 8.84277679293E-01 8.79821486542E-01
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8.75153238306E-01 8.70283120579E-01 8.65220926791E-01 8.59975948910E-01
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8.54556871701E-01 8.48971672095E-01 8.43227525788E-01 8.37330723443E-01
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8.31286599017E-01 8.25099472956E-01 8.18772613168E-01 8.12308216748E-01
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8.05707415546E-01 7.98970308537E-01 7.92096023835E-01 7.85082812753E-01
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7.77928177762E-01 7.70629035268E-01 7.63181912865E-01 7.55583179015E-01
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7.47829300857E-01 7.39917122978E-01 7.31844156394E-01 7.23608862543E-01
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7.15210911770E-01 7.06651389299E-01 6.97932914097E-01 6.89059627002E-01
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6.80036993911E-01 6.70871372161E-01 6.61569464958E-01 6.52138145682E-01
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6.42584436844E-01 6.32915500243E-01 6.23138626492E-01 6.13261223889E-01
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6.03290806644E-01 5.93234982496E-01 5.83101439728E-01 5.72897933625E-01
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5.62632272430E-01 5.52312302848E-01 5.41945895183E-01 5.31540928176E-01
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5.21105273655E-01 5.10646781082E-01 5.00173262124E-01 4.89692475351E-01
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4.79212111186E-01 4.68739777223E-01 4.58282984044E-01 4.47849131626E-01
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4.37445496474E-01 4.27079219555E-01 4.16757295132E-01 4.06486560565E-01
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3.96273687145E-01 3.86125171983E-01 3.76047330999E-01 3.66046292997E-01
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3.56127994811E-01 3.46298177499E-01 3.36562383519E-01 3.26925954821E-01
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3.17394031773E-01 3.07971552821E-01 2.98663254769E-01 2.89473673568E-01
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2.80407145479E-01 2.71467808508E-01 2.62659603959E-01 2.53986278011E-01
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2.45451383198E-01 2.37058279686E-01 2.28810136282E-01 2.20709931084E-01
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2.12760451731E-01 2.04964295236E-01 1.97323867364E-01 1.89841381598E-01
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1.82518857698E-01 1.75358119924E-01 1.68360794971E-01 1.61528309711E-01
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|
1.54861888825E-01 1.48362552425E-01 1.42031113778E-01 1.35868177219E-01
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|
1.29874136381E-01 1.24049172820E-01 1.18393255132E-01 1.12906138648E-01
|
|
1.07587365778E-01 1.02436267046E-01 9.74519628843E-02 9.26333662038E-02
|
|
8.79791857554E-02 8.34879302981E-02 7.91579135575E-02 7.49872599590E-02
|
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7.09739111044E-02 6.71156329542E-02 6.34100236691E-02 5.98545220557E-02
|
|
5.64464165606E-02 5.31828547474E-02 5.00608531933E-02 4.70773077367E-02
|
|
4.42290040074E-02 4.15126281728E-02 3.89247778304E-02 3.64619729826E-02
|
|
3.41206670289E-02 3.18972577151E-02 2.97880979809E-02 2.77895066501E-02
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|
2.58977789144E-02 2.41091965608E-02 2.24200379006E-02 2.08265873599E-02
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1.93251446960E-02 1.79120338083E-02 1.65836111171E-02 1.53362734849E-02
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1.41664656633E-02 1.30706872477E-02 1.20454991288E-02 1.10875294324E-02
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|
1.01934789421E-02 9.36012600331E-03 8.58433090959E-03 7.86303977600E-03
|
|
7.19328790557E-03 6.57220265871E-03 5.99700583704E-03 5.46501559543E-03
|
|
4.97364789806E-03 4.52041753559E-03 4.10293872280E-03 3.71892529648E-03
|
|
3.36619053536E-03 3.04264662402E-03 2.74630378404E-03 2.47526909593E-03
|
|
2.22774503580E-03 2.00202775089E-03 1.79650509843E-03 1.60965447172E-03
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|
1.44004043741E-03 1.28631220756E-03 1.14720096928E-03 1.02151709447E-03
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9.08147251162E-04 8.06051437287E-04 7.14259956645E-04 6.31870356043E-04
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|
5.58044341302E-04 4.92004688874E-04 4.33032168594E-04 3.80462491919E-04
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3.33683298824E-04 2.92131195291E-04 2.55288852159E-04 2.22682174739E-04
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|
1.93877809717E-04 1.68482516823E-04 1.46135555950E-04 1.26508803272E-04
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1.09304676601E-04 9.42538502892E-05 8.11130811900E-05 6.96631463641E-05
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|
5.97068925183E-05 5.10673964679E-05 4.35862353064E-05 3.71218644038E-05
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|
3.15481008576E-05 2.67527095782E-05 2.26360888107E-05 1.91100515686E-05
|
|
1.60966991880E-05 1.35273829962E-05 1.13417499207E-05 9.48686775408E-06
|
|
7.91642571343E-06 6.59000590591E-06 5.47242131961E-06 4.53311600032E-06
|
|
3.74562314773E-06 3.08707696419E-06 2.53777421154E-06 2.08078157363E-06
|
|
1.70158508080E-06 1.38777802313E-06 1.12878396091E-06 9.15611628020E-07
|
|
7.40638716271E-07 5.97421722476E-07 4.80529233628E-07 3.85396216683E-07
|
|
3.08197066827E-07 2.45735350005E-07 1.95348350827E-07 1.54824704910E-07
|
|
1.22333554239E-07 9.63638150044E-08 7.56722889979E-08 5.92394820076E-08
|
|
4.62321155973E-08 3.59714324213E-08 2.79064999893E-08 2.15918139875E-08
|
|
1.66685904014E-08 1.28492164214E-08 9.90440427622E-09 7.60778391011E-09
|
|
5.82300116735E-09 4.44094146528E-09 3.37460545200E-09 2.55488181558E-09
|
|
1.92707362057E-09 1.44805496741E-09 1.08395275398E-09 8.08264076541E-10
|
|
6.00333544427E-10 4.44126697352E-10 3.27245995906E-10 2.40144683948E-10
|
|
1.75501363351E-10 1.27724532147E-10 9.25617589313E-11 6.67927287032E-11
|
|
4.79892153339E-11 3.43282179615E-11 2.44471361251E-11 1.73320333733E-11
|
|
1.22318234416E-11 8.59266953819E-12 6.00806993669E-12 4.18105846105E-12
|
|
2.89571621459E-12 1.99580466882E-12 1.36881829349E-12 9.34140960582E-13
|
|
6.34294082512E-13 4.28502117090E-13 2.87986045828E-13 1.92538604762E-13
|
|
1.28045253909E-13 8.46992311996E-14 5.57232491971E-14 3.64589932094E-14
|
|
2.37221533686E-14 1.53480882927E-14 9.87357368381E-15 6.31514215590E-15
|
|
4.01558616267E-15 2.53828164564E-15 1.59486267408E-15 9.96016601552E-16
|
|
6.18210562725E-16 3.81328416291E-16 2.33733382687E-16 1.42353004576E-16
|
|
8.61394133899E-17 5.17834737045E-17 3.09242107402E-17 1.83437434276E-17
|
|
1.08074311808E-17 6.32360837564E-18 3.67432670507E-18 2.11993602553E-18
|
|
1.21439874905E-18 6.90644152781E-19 3.89908093402E-19 2.18496737312E-19
|
|
1.21523947112E-19 6.70767297519E-20 3.67395117118E-20 1.99666048471E-20
|
|
1.07656867521E-20 5.75841181817E-21 3.05522653395E-21 1.60775373770E-21
|
|
8.39046819155E-22 4.34208176958E-22 2.22796796822E-22 1.13337194731E-22
|
|
5.71533103963E-23 2.85672205340E-23 1.41515464301E-23 6.94704596053E-24
|
|
3.37914811991E-24 1.62845167161E-24 7.77413863156E-25 3.67610562824E-25
|
|
1.72159052259E-25 7.98408507380E-26 3.66623608144E-26 1.66671587751E-26
|
|
7.50056203252E-27 3.34088600410E-27 1.47268190660E-27 6.42360476256E-28
|
|
2.77213033431E-28 1.18346422799E-28 4.99740136574E-29 2.08699370869E-29
|
|
8.61837359920E-30 3.51880705970E-30 1.42026530202E-30 5.66610379594E-31
|
|
2.23396802617E-31 8.70326704272E-32 3.34992694045E-32 1.27370822080E-32
|
|
4.78320778621E-33 1.77384418911E-33 6.49516239781E-34 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00
|
|
3P 1 0.00 Wavefunction
|
|
3.23438747259E-08 3.31626637794E-08 3.40021805747E-08 3.48629498371E-08
|
|
3.57455095752E-08 3.66504114175E-08 3.75782209569E-08 3.85295181044E-08
|
|
3.95048974516E-08 4.05049686420E-08 4.15303567526E-08 4.25817026842E-08
|
|
4.36596635618E-08 4.47649131461E-08 4.58981422537E-08 4.70600591894E-08
|
|
4.82513901890E-08 4.94728798727E-08 5.07252917113E-08 5.20094085024E-08
|
|
5.33260328607E-08 5.46759877189E-08 5.60601168424E-08 5.74792853565E-08
|
|
5.89343802875E-08 6.04263111166E-08 6.19560103488E-08 6.35244340955E-08
|
|
6.51325626721E-08 6.67814012107E-08 6.84719802888E-08 7.02053565727E-08
|
|
7.19826134785E-08 7.38048618489E-08 7.56732406480E-08 7.75889176727E-08
|
|
7.95530902827E-08 8.15669861493E-08 8.36318640220E-08 8.57490145161E-08
|
|
8.79197609187E-08 9.01454600160E-08 9.24275029416E-08 9.47673160456E-08
|
|
9.71663617863E-08 9.96261396443E-08 1.02148187060E-07 1.04734080393E-07
|
|
1.07385435911E-07 1.10103910796E-07 1.12891204181E-07 1.15749058214E-07
|
|
1.18679259145E-07 1.21683638444E-07 1.24764073944E-07 1.27922491016E-07
|
|
1.31160863771E-07 1.34481216296E-07 1.37885623918E-07 1.41376214498E-07
|
|
1.44955169769E-07 1.48624726692E-07 1.52387178855E-07 1.56244877912E-07
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|
1.60200235048E-07 1.64255722487E-07 1.68413875036E-07 1.72677291675E-07
|
|
1.77048637173E-07 1.81530643760E-07 1.86126112833E-07 1.90837916705E-07
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|
1.95669000404E-07 2.00622383509E-07 2.05701162041E-07 2.10908510399E-07
|
|
2.16247683338E-07 2.21722018010E-07 2.27334936048E-07 2.33089945703E-07
|
|
2.38990644035E-07 2.45040719168E-07 2.51243952589E-07 2.57604221512E-07
|
|
2.64125501307E-07 2.70811867977E-07 2.77667500711E-07 2.84696684493E-07
|
|
2.91903812784E-07 2.99293390263E-07 3.06870035647E-07 3.14638484576E-07
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|
3.22603592571E-07 3.30770338073E-07 3.39143825550E-07 3.47729288693E-07
|
|
3.56532093682E-07 3.65557742542E-07 3.74811876582E-07 3.84300279922E-07
|
|
3.94028883106E-07 4.04003766810E-07 4.14231165643E-07 4.24717472042E-07
|
|
4.35469240270E-07 4.46493190511E-07 4.57796213071E-07 4.69385372682E-07
|
|
4.81267912921E-07 4.93451260739E-07 5.05943031094E-07 5.18751031723E-07
|
|
5.31883268012E-07 5.45347948004E-07 5.59153487530E-07 5.73308515465E-07
|
|
5.87821879126E-07 6.02702649798E-07 6.17960128407E-07 6.33603851330E-07
|
|
6.49643596359E-07 6.66089388809E-07 6.82951507784E-07 7.00240492607E-07
|
|
7.17967149399E-07 7.36142557841E-07 7.54778078094E-07 7.73885357899E-07
|
|
7.93476339862E-07 8.13563268913E-07 8.34158699962E-07 8.55275505745E-07
|
|
8.76926884871E-07 8.99126370070E-07 9.21887836652E-07 9.45225511179E-07
|
|
9.69153980356E-07 9.93688200150E-07 1.01884350514E-06 1.04463561808E-06
|
|
1.07108065977E-06 1.09819515909E-06 1.12599606335E-06 1.15450074887E-06
|
|
1.18372703186E-06 1.21369317955E-06 1.24441792158E-06 1.27592046174E-06
|
|
1.30822048996E-06 1.34133819463E-06 1.37529427517E-06 1.41010995504E-06
|
|
1.44580699493E-06 1.48240770644E-06 1.51993496594E-06 1.55841222894E-06
|
|
1.59786354470E-06 1.63831357129E-06 1.67978759100E-06 1.72231152611E-06
|
|
1.76591195514E-06 1.81061612942E-06 1.85645199016E-06 1.90344818585E-06
|
|
1.95163409026E-06 2.00103982071E-06 2.05169625693E-06 2.10363506037E-06
|
|
2.15688869399E-06 2.21149044251E-06 2.26747443324E-06 2.32487565743E-06
|
|
2.38372999210E-06 2.44407422249E-06 2.50594606503E-06 2.56938419092E-06
|
|
2.63442825033E-06 2.70111889711E-06 2.76949781429E-06 2.83960774003E-06
|
|
2.91149249442E-06 2.98519700681E-06 3.06076734392E-06 3.13825073862E-06
|
|
3.21769561943E-06 3.29915164083E-06 3.38266971426E-06 3.46830203995E-06
|
|
3.55610213952E-06 3.64612488948E-06 3.73842655547E-06 3.83306482747E-06
|
|
3.93009885582E-06 4.02958928821E-06 4.13159830757E-06 4.23618967093E-06
|
|
4.34342874927E-06 4.45338256840E-06 4.56611985078E-06 4.68171105854E-06
|
|
4.80022843748E-06 4.92174606223E-06 5.04633988252E-06 5.17408777068E-06
|
|
5.30506957028E-06 5.43936714603E-06 5.57706443497E-06 5.71824749888E-06
|
|
5.86300457808E-06 6.01142614658E-06 6.16360496863E-06 6.31963615667E-06
|
|
6.47961723076E-06 6.64364817955E-06 6.81183152276E-06 6.98427237521E-06
|
|
7.16107851257E-06 7.34236043864E-06 7.52823145446E-06 7.71880772907E-06
|
|
7.91420837214E-06 8.11455550837E-06 8.31997435383E-06 8.53059329418E-06
|
|
8.74654396492E-06 8.96796133362E-06 9.19498378429E-06 9.42775320383E-06
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</PP_GIPAW_VLOCAL_PS>
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</PP_GIPAW_LOCAL_DATA>
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<PP_GIPAW_ORBITALS>
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4
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<PP_GIPAW_AE_ORBITAL>
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2S 0
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0.00000000000E+00
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</PP_GIPAW_AE_ORBITAL>
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1.50 1.50
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</PP_GIPAW_PS_ORBITAL>
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<PP_GIPAW_AE_ORBITAL>
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2P 1
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</PP_GIPAW_AE_ORBITAL>
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<PP_GIPAW_PS_ORBITAL>
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1.50 1.50
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0.00000000000E+00
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</PP_GIPAW_PS_ORBITAL>
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<PP_GIPAW_AE_ORBITAL>
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|
3P 1
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|
4.82606191269E-07 4.92762013046E-07 5.03131550929E-07 5.13719302296E-07
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5.24546702070E-07 5.35654531088E-07 5.47039884146E-07 5.58710907700E-07
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8.07848547453E-07 8.25956875240E-07 8.44507951520E-07 8.63512303702E-07
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8.82980697591E-07 9.02924184430E-07 9.23354113895E-07 9.44282106747E-07
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9.65720059866E-07 9.87680178372E-07 1.01017496821E-06 1.03321724842E-06
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1.22272140280E-05 1.25258088062E-05 1.28317917809E-05 1.31453472061E-05
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1.50 1.50
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</PP_PAW>
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