mirror of https://gitlab.com/QEF/q-e.git
1073 lines
77 KiB
Plaintext
1073 lines
77 KiB
Plaintext
<PP_INFO>
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Generated using Fritz-Haber code
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Author: Feliciano Giustino Generation date: 2005-09-18
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Info: automatically converted from FHI format
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1 The Pseudo was generated with a Scalar-Relativistic Calculation
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0.00000000000E+00 Local Potential cutoff radius
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nl pn l occ Rcut Rcut US E pseu (eV)
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2s 0 0 2.00 1.4981530 0.00000000000 -13.6446577
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2p 0 1 2.00 1.4981530 0.00000000000 -5.4206290
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3d 0 2 0.00 1.4981530 0.00000000000 -5.4206290
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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 PZ NOGX NOGC PZ Exchange-Correlation functional
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4.00000000000 Z valence
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-5.34834 Total energy (Ha)
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0.0000000 0.0000000 Suggested cutoff for wfc and rho
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1 Max angular momentum component
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461 Number of points in mesh
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3 2 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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2p 1 2.00
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3d 2 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_R>
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</PP_LOCAL>
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|
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|
|
<PP_NONLOCAL>
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|
<PP_BETA>
|
|
1 0 Beta L
|
|
377
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7.20335487884E-03 7.38127774435E-03 7.56359530463E-03 7.75041610865E-03
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7.94185139114E-03 8.13801513420E-03 8.33902412994E-03 8.54499805703E-03
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0.00000000000E+00
|
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</PP_BETA>
|
|
<PP_BETA>
|
|
2 1 Beta L
|
|
377
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|
|
-6.02224462748E-01 -6.28667927419E-01 -6.56026087139E-01 -6.84299638954E-01
|
|
-7.13484506301E-01 -7.43571136966E-01 -7.74543733454E-01 -8.06379413017E-01
|
|
-8.39047295319E-01 -8.72507516693E-01 -9.06710171260E-01 -9.41594180805E-01
|
|
-9.77086097372E-01 -1.01309884507E+00 -1.04953041064E+00 -1.08626249601E+00
|
|
-1.12315915042E+00 -1.16006540450E+00 -1.19680593483E+00 -1.23318379370E+00
|
|
-1.26897924604E+00 -1.30394876374E+00 -1.33782423580E+00 -1.37031246174E+00
|
|
-1.40109500510E+00 -1.42982849241E+00 -1.45614545178E+00 -1.47965579196E+00
|
|
-1.49994902851E+00 -1.51659736573E+00 -1.52915974212E+00 -1.53718694111E+00
|
|
-1.54022785655E+00 -1.53783698346E+00 -1.52958317676E+00 -1.51505968363E+00
|
|
-1.49389540783E+00 -1.46576730635E+00 -1.43041375090E+00 -1.38764860888E+00
|
|
-1.33737571435E+00 -1.27960331056E+00 -1.21445795761E+00 -1.14219731664E+00
|
|
-1.06322115277E+00 -9.78079850162E-01 -8.87479712337E-01 -7.92284336638E-01
|
|
-6.93511409121E-01 -5.92324369703E-01 -4.90018546132E-01 -3.88001544553E-01
|
|
-2.87767903203E-01 -1.90868246650E-01 -9.88733981409E-02 -1.33340895031E-02
|
|
6.42629767725E-02 1.32541934608E-01 1.90286732198E-01 2.36491758383E-01
|
|
2.70413824553E-01 2.91625399436E-01 3.00068987713E-01 2.96112102219E-01
|
|
2.80601078575E-01 2.54909618705E-01 2.20973988442E-01 1.81300848969E-01
|
|
1.38925580462E-01 9.72888418814E-02 5.99877075552E-02 3.03462096999E-02
|
|
1.07396629252E-02 1.59773561962E-03 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 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
|
|
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 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 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 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
|
|
0.00000000000E+00
|
|
</PP_BETA>
|
|
<PP_DIJ>
|
|
2 Number of nonzero Dij
|
|
1 1 1.29688449256E+00
|
|
2 2 -3.74568289496E+00
|
|
</PP_DIJ>
|
|
</PP_NONLOCAL>
|
|
|
|
|
|
<PP_PSWFC>
|
|
2s 0 2.00 Wavefunction
|
|
7.72899582089E-04 7.91990201767E-04 8.11552359750E-04 8.31597703036E-04
|
|
8.52138166795E-04 8.73185980986E-04 8.94753677069E-04 9.16854096228E-04
|
|
9.39500396797E-04 9.62706062126E-04 9.86484908611E-04 1.01085109392E-03
|
|
1.03581912542E-03 1.06140386882E-03 1.08762055702E-03 1.11448479918E-03
|
|
1.14201259001E-03 1.17022031932E-03 1.19912478173E-03 1.22874318673E-03
|
|
1.25909316886E-03 1.29019279828E-03 1.32206059149E-03 1.35471552235E-03
|
|
1.38817703340E-03 1.42246504743E-03 1.45759997934E-03 1.49360274830E-03
|
|
1.53049479021E-03 1.56829807046E-03 1.60703509699E-03 1.64672893376E-03
|
|
1.68740321439E-03 1.72908215632E-03 1.77179057517E-03 1.81555389957E-03
|
|
1.86039818626E-03 1.90635013562E-03 1.95343710759E-03 2.00168713795E-03
|
|
2.05112895501E-03 2.10179199674E-03 2.15370642827E-03 2.20690315991E-03
|
|
2.26141386549E-03 2.31727100129E-03 2.37450782533E-03 2.43315841720E-03
|
|
2.49325769836E-03 2.55484145292E-03 2.61794634898E-03 2.68260996047E-03
|
|
2.74887078951E-03 2.81676828938E-03 2.88634288800E-03 2.95763601202E-03
|
|
3.03069011152E-03 3.10554868527E-03 3.18225630667E-03 3.26085865030E-03
|
|
3.34140251914E-03 3.42393587245E-03 3.50850785437E-03 3.59516882317E-03
|
|
3.68397038132E-03 3.77496540618E-03 3.86820808157E-03 3.96375393002E-03
|
|
4.06165984590E-03 4.16198412934E-03 4.26478652095E-03 4.37012823749E-03
|
|
4.47807200830E-03 4.58868211278E-03 4.70202441868E-03 4.81816642137E-03
|
|
4.93717728415E-03 5.05912787944E-03 5.18409083112E-03 5.31214055779E-03
|
|
5.44335331723E-03 5.57780725189E-03 5.71558243551E-03 5.85676092090E-03
|
|
6.00142678899E-03 6.14966619892E-03 6.30156743958E-03 6.45722098228E-03
|
|
6.61671953482E-03 6.78015809682E-03 6.94763401654E-03 7.11924704901E-03
|
|
7.29509941565E-03 7.47529586541E-03 7.65994373736E-03 7.84915302491E-03
|
|
8.04303644158E-03 8.24170948848E-03 8.44529052336E-03 8.65390083154E-03
|
|
8.86766469848E-03 9.08670948421E-03 9.31116569969E-03 9.54116708494E-03
|
|
9.77685068931E-03 1.00183569536E-02 1.02658297943E-02 1.05194166901E-02
|
|
1.07792687701E-02 1.10455409051E-02 1.13183918002E-02 1.15979840902E-02
|
|
1.18844844381E-02 1.21780636342E-02 1.24788967003E-02 1.27871629938E-02
|
|
1.31030463169E-02 1.34267350268E-02 1.37584221496E-02 1.40983054968E-02
|
|
1.44465877851E-02 1.48034767586E-02 1.51691853147E-02 1.55439316333E-02
|
|
1.59279393086E-02 1.63214374852E-02 1.67246609970E-02 1.71378505104E-02
|
|
1.75612526702E-02 1.79951202501E-02 1.84397123071E-02 1.88952943393E-02
|
|
1.93621384487E-02 1.98405235074E-02 2.03307353287E-02 2.08330668428E-02
|
|
2.13478182765E-02 2.18752973383E-02 2.24158194085E-02 2.29697077336E-02
|
|
2.35372936268E-02 2.41189166733E-02 2.47149249412E-02 2.53256751989E-02
|
|
2.59515331370E-02 2.65928735977E-02 2.72500808093E-02 2.79235486283E-02
|
|
2.86136807873E-02 2.93208911504E-02 3.00456039752E-02 3.07882541830E-02
|
|
3.15492876358E-02 3.23291614219E-02 3.31283441492E-02 3.39473162472E-02
|
|
3.47865702778E-02 3.56466112553E-02 3.65279569755E-02 3.74311383548E-02
|
|
3.83566997795E-02 3.93051994656E-02 4.02772098295E-02 4.12733178701E-02
|
|
4.22941255626E-02 4.33402502648E-02 4.44123251361E-02 4.55109995696E-02
|
|
4.66369396386E-02 4.77908285569E-02 4.89733671547E-02 5.01852743698E-02
|
|
5.14272877557E-02 5.27001640061E-02 5.40046794984E-02 5.53416308545E-02
|
|
5.67118355227E-02 5.81161323788E-02 5.95553823496E-02 6.10304690583E-02
|
|
6.25422994938E-02 6.40918047050E-02 6.56799405200E-02 6.73076882940E-02
|
|
6.89760556848E-02 7.06860774589E-02 7.24388163292E-02 7.42353638259E-02
|
|
7.60768412026E-02 7.79644003795E-02 7.98992249252E-02 8.18825310798E-02
|
|
8.39155688213E-02 8.59996229774E-02 8.81360143858E-02 9.03261011050E-02
|
|
9.25712796789E-02 9.48729864583E-02 9.72326989815E-02 9.96519374191E-02
|
|
1.02132266084E-01 1.04675295015E-01 1.07282681629E-01 1.09956132458E-01
|
|
1.12697404965E-01 1.15508309449E-01 1.18390711039E-01 1.21346531791E-01
|
|
1.24377752882E-01 1.27486416910E-01 1.30674630313E-01 1.33944565899E-01
|
|
1.37298465507E-01 1.40738642788E-01 1.44267486131E-01 1.47887461718E-01
|
|
1.51601116735E-01 1.55411082719E-01 1.59320079071E-01 1.63330916720E-01
|
|
1.67446501938E-01 1.71669840330E-01 1.76004040967E-01 1.80452320681E-01
|
|
1.85018008507E-01 1.89704550266E-01 1.94515513273E-01 1.99454591152E-01
|
|
2.04525608736E-01 2.09732527020E-01 2.15079448125E-01 2.20570620226E-01
|
|
2.26210442376E-01 2.32003469152E-01 2.37954415036E-01 2.44068158395E-01
|
|
2.50349744946E-01 2.56804390524E-01 2.63437482948E-01 2.70254582767E-01
|
|
2.77261422581E-01 2.84463904609E-01 2.91868096116E-01 2.99480222227E-01
|
|
3.07306655580E-01 3.15353902194E-01 3.23628582820E-01 3.32137408898E-01
|
|
3.40887152175E-01 3.49884606825E-01 3.59136542809E-01 3.68649649003E-01
|
|
3.78430464459E-01 3.88485295936E-01 3.98820119675E-01 4.09440465138E-01
|
|
4.20351278249E-01 4.31556761506E-01 4.43060188133E-01 4.54863687383E-01
|
|
4.66967998058E-01 4.79372187383E-01 4.92073332632E-01 5.05066163317E-01
|
|
5.18342662447E-01 5.31891626388E-01 5.45698184275E-01 5.59743279823E-01
|
|
5.74003120915E-01 5.88448605424E-01 6.03044735676E-01 6.17750038549E-01
|
|
6.32516013656E-01 6.47286638155E-01 6.61997963339E-01 6.76577845003E-01
|
|
6.90945856090E-01 7.05013435675E-01 7.18684331974E-01 7.31855397590E-01
|
|
7.44417791276E-01 7.56258630502E-01 7.67263121572E-01 7.77317167472E-01
|
|
7.86310417221E-01 7.94139674002E-01 8.00712523993E-01 8.05950986144E-01
|
|
8.09794919941E-01 8.12204870391E-01 8.13163986423E-01 8.12678632977E-01
|
|
8.10777343645E-01 8.07507849822E-01 8.02932101002E-01 7.97119497366E-01
|
|
7.90139046893E-01 7.82051918367E-01 7.72907007955E-01 7.62743088331E-01
|
|
7.51597470841E-01 7.39511837107E-01 7.26530665320E-01 7.12701159589E-01
|
|
6.98073192523E-01 6.82699017246E-01 6.66633011987E-01 6.49931409622E-01
|
|
6.32652019137E-01 6.14853940950E-01 5.96597277813E-01 5.77942843066E-01
|
|
5.58951867598E-01 5.39685707480E-01 5.20205553727E-01 5.00572145629E-01
|
|
4.80845489157E-01 4.61084581878E-01 4.41347145777E-01 4.21689369357E-01
|
|
4.02165660366E-01 3.82828410453E-01 3.63727773086E-01 3.44911455973E-01
|
|
3.26424529263E-01 3.08309250726E-01 2.90604909090E-01 2.73347686629E-01
|
|
2.56570542068E-01 2.40303114704E-01 2.24571650616E-01 2.09398951624E-01
|
|
1.94804347544E-01 1.80803692100E-01 1.67409382626E-01 1.54630403517E-01
|
|
1.42472393105E-01 1.30937733412E-01 1.20025661976E-01 1.09732404671E-01
|
|
1.00051328198E-01 9.09731106553E-02 8.24859283874E-02 7.45756570645E-02
|
|
6.72260847760E-02 6.04191347494E-02 5.41350951846E-02 4.83528536067E-02
|
|
4.30501330959E-02 3.82037277536E-02 3.37897348085E-02 2.97837808554E-02
|
|
2.61612398520E-02 2.28974406742E-02 1.99678622373E-02 1.73483144369E-02
|
|
1.50151034312E-02 1.29451800781E-02 1.11162706474E-02 9.50698923857E-03
|
|
8.09693165058E-03 6.86675075571E-03 5.79821372222E-03 4.87424170473E-03
|
|
4.07893286857E-03 3.39756983254E-03 2.81661279798E-03 2.32367977902E-03
|
|
1.90751545710E-03 1.55795025254E-03 1.26585123637E-03 1.02306650029E-03
|
|
8.22364562462E-04 6.57370316402E-04 5.22498933337E-04 4.12889009527E-04
|
|
3.24336114629E-04 2.53227749815E-04 1.96480570459E-04 1.51480572361E-04
|
|
1.16026787213E-04 8.82788861163E-05 6.67089528880E-05 5.00575640999E-05
|
|
3.72942023701E-05 2.75819344997E-05 2.02462072650E-05 1.47475509764E-05
|
|
1.06579337517E-05 7.64047681327E-06 5.43222165531E-06 3.82963204482E-06
|
|
2.67651576755E-06 1.85406100402E-06 1.27269844094E-06 8.65520994008E-07
|
|
5.83016792644E-07 3.88896487177E-07 2.56821821423E-07 1.67867822757E-07
|
|
1.08575163341E-07 6.94717099441E-08 4.39626580651E-08 2.75067511799E-08
|
|
1.70118628395E-08 1.03967180555E-08 6.27687941501E-09 3.74250460742E-09
|
|
2.20300951260E-09 1.27987254122E-09 7.33618978554E-10 4.14745093908E-10
|
|
2.31178954791E-10 1.27003919257E-10 6.87430907448E-11 3.66455276739E-11
|
|
1.92320441252E-11 9.93271239421E-12 5.04627119196E-12 2.52063092046E-12
|
|
1.23728212615E-12 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 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 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
|
|
0.00000000000E+00
|
|
2p 1 2.00 Wavefunction
|
|
2.59094167894E-06 2.72051490549E-06 2.85656810076E-06 2.99942532857E-06
|
|
3.14942686937E-06 3.30692996421E-06 3.47230976981E-06 3.64596019721E-06
|
|
3.82829485778E-06 4.01974804731E-06 4.22077578037E-06 4.43185687645E-06
|
|
4.65349410038E-06 4.88621535979E-06 5.13057496248E-06 5.38715493660E-06
|
|
5.65656641690E-06 5.93945110030E-06 6.23648277419E-06 6.54836892124E-06
|
|
6.87585240438E-06 7.21971323608E-06 7.58077043609E-06 7.95988398204E-06
|
|
8.35795685766E-06 8.77593720334E-06 9.21482057425E-06 9.67565231138E-06
|
|
1.01595300311E-05 1.06676062394E-05 1.12010910762E-05 1.17612551981E-05
|
|
1.23494328038E-05 1.29670248120E-05 1.36155021975E-05 1.42964094943E-05
|
|
1.50113684738E-05 1.57620820074E-05 1.65503381211E-05 1.73780142539E-05
|
|
1.82470817288E-05 1.91596104467E-05 2.01177738161E-05 2.11238539284E-05
|
|
2.21802469919E-05 2.32894690382E-05 2.44541619131E-05 2.56770995673E-05
|
|
2.69611946615E-05 2.83095055019E-05 2.97252433220E-05 3.12117799289E-05
|
|
3.27726557309E-05 3.44115881675E-05 3.61324805598E-05 3.79394314039E-05
|
|
3.98367441281E-05 4.18289373385E-05 4.39207555760E-05 4.61171806112E-05
|
|
4.84234433037E-05 5.08450360539E-05 5.33877258767E-05 5.60575681296E-05
|
|
5.88609209251E-05 6.18044602642E-05 6.48951959258E-05 6.81404881499E-05
|
|
7.15480651536E-05 7.51260415229E-05 7.88829375227E-05 8.28276993711E-05
|
|
8.69697205264E-05 9.13188640373E-05 9.58854860090E-05 1.00680460241E-04
|
|
1.05715204093E-04 1.11001705649E-04 1.16552552226E-04 1.22380960318E-04
|
|
1.28500807023E-04 1.34926663049E-04 1.41673827357E-04 1.48758363543E-04
|
|
1.56197138022E-04 1.64007860130E-04 1.72209124218E-04 1.80820453844E-04
|
|
1.89862348176E-04 1.99356330701E-04 2.09325000366E-04 2.19792085265E-04
|
|
2.30782499002E-04 2.42322399864E-04 2.54439252939E-04 2.67161895328E-04
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2.80520604604E-04 2.94547170676E-04 3.09274971236E-04 3.24739050954E-04
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3.40976204612E-04 3.58025064375E-04 3.75926191399E-04 3.94722171994E-04
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4.14457718557E-04 4.35179775528E-04 4.56937630601E-04 4.79783031452E-04
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5.03770308265E-04 5.28956502325E-04 5.55401500996E-04 5.83168179378E-04
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6.12322548981E-04 6.42933913762E-04 6.75075033878E-04 7.08822297537E-04
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7.44255901343E-04 7.81460039546E-04 8.20523102629E-04 8.61537885703E-04
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9.04601807156E-04 9.49817138082E-04 9.97291243002E-04 1.04713683242E-03
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1.09947222776E-03 1.15442163939E-03 1.21211545816E-03 1.27269056133E-03
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1.33629063340E-03 1.40306650267E-03 1.47317649419E-03 1.54678679998E-03
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1.62407186718E-03 1.70521480521E-03 1.79040781261E-03 1.87985262459E-03
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1.97376098226E-03 2.07235512457E-03 2.17586830394E-03 2.28454532672E-03
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2.39864311964E-03 2.51843132343E-03 2.64419291484E-03 2.77622485834E-03
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2.91483878889E-03 3.06036172710E-03 3.21313682826E-03 3.37352416684E-03
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3.54190155778E-03 3.71866541644E-03 3.90423165872E-03 4.09903664312E-03
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4.30353815655E-03 4.51821644568E-03 4.74357529579E-03 4.98014315901E-03
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5.22847433406E-03 5.48915019937E-03 5.76278050196E-03 6.05000470396E-03
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6.35149338927E-03 6.66794973234E-03 7.00011103154E-03 7.34875030941E-03
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7.71467798208E-03 8.09874360030E-03 8.50183766438E-03 8.92489351545E-03
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9.36888930545E-03 9.83485004800E-03 1.03238497527E-02 1.08370136446E-02
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1.13755204721E-02 1.19406049033E-02 1.25335600147E-02 1.31557398735E-02
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3.61778160094E-02 3.79478854695E-02 3.98024931306E-02 4.17454638820E-02
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2.85850443640E-01 2.72640970917E-01 2.59639906913E-01 2.46868421475E-01
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1.09165746714E-01 1.01128195351E-01 9.34791084825E-02 8.62170611316E-02
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7.93391848093E-02 7.28412235636E-02 6.67175994233E-02 6.09614865947E-02
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5.55648936561E-02 5.05187528819E-02 4.58130157342E-02 4.14367534785E-02
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3.73782618113E-02 3.36251683435E-02 3.01645417521E-02 2.69830014041E-02
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1.47753458050E-02 1.29755648895E-02 1.13574046794E-02 9.90752405233E-03
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8.61296283928E-03 7.46120151657E-03 6.44021259941E-03 5.53850363867E-03
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4.74515185140E-03 4.04983053800E-03 3.44282755191E-03 2.91505619027E-03
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2.45805896343E-03 2.06400477727E-03 1.72568012342E-03 1.43647491865E-03
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1.19036366558E-03 9.81882623503E-04 8.06103679814E-04 6.58605602189E-04
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5.35443328589E-04 4.33115919310E-04 3.48533753307E-04 2.78985502029E-04
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2.22105359510E-04 1.75840949307E-04 1.38422268541E-04 1.08331968514E-04
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8.42772114042E-05 6.51632847407E-05 5.00691007954E-05 3.82246575899E-05
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2.89904926241E-05 2.18391201743E-05 1.63384084128E-05 1.21368237712E-05
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8.95044688270E-06 6.55164687818E-06 4.75928846418E-06 3.43033863843E-06
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2.45273658885E-06 1.73939070856E-06 1.22317014473E-06 8.52764280731E-07
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5.89291440868E-07 4.03547352348E-07 2.73793992184E-07 1.83999941873E-07
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1.22453887645E-07 8.06831269495E-08 5.26186299186E-08 3.39571795626E-08
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2.16792645281E-08 1.36886461904E-08 8.54589801252E-09 5.27359589723E-09
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3.21567729614E-09 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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3d 2 0.00 Wavefunction
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1.40837598321E-09 1.51533557501E-09 1.63041824929E-09 1.75424091631E-09
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1.88746743117E-09 2.03081187280E-09 2.18504265103E-09 2.35098653157E-09
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2.52953306916E-09 2.72163937591E-09 2.92833525197E-09 3.15072870579E-09
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3.39001189365E-09 3.64746751029E-09 3.92447566482E-09 4.22252127884E-09
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4.54320204642E-09 4.88823699862E-09 5.25947571834E-09 5.65890825510E-09
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6.08867579273E-09 6.55108212722E-09 7.04860601625E-09 7.58391446661E-09
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8.15987703068E-09 8.77958118869E-09 9.44634889914E-09 1.01637544061E-08
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1.09356433991E-08 1.17661536275E-08 1.26597370810E-08 1.36211838548E-08
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1.46556478259E-08 1.57686742809E-08 1.69662296412E-08 1.82547334452E-08
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1.96410927605E-08 2.11327392083E-08 2.27376688000E-08 2.44644847996E-08
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2.63224438401E-08 2.83215055432E-08 3.04723859062E-08 3.27866147446E-08
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3.52765974951E-08 3.79556817139E-08 4.08382286240E-08 4.39396900959E-08
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4.72766914745E-08 5.08671206964E-08 5.47302241739E-08 5.88867099615E-08
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6.33588587558E-08 6.81706433262E-08 7.33478570137E-08 7.89182519886E-08
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8.49116880076E-08 9.13602924665E-08 9.82986326085E-08 1.05763900808E-07
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1.13796113925E-07 1.22438327802E-07 1.31736868038E-07 1.41741578304E-07
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1.52506087497E-07 1.64088097193E-07 1.76549690922E-07 1.89957666929E-07
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2.04383896206E-07 2.19905707705E-07 2.36606302807E-07 2.54575201259E-07
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2.73908720975E-07 2.94710494266E-07 3.17092023272E-07 3.41173277561E-07
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3.67083337113E-07 3.94961084115E-07 4.24955947289E-07 4.57228702734E-07
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4.91952335566E-07 5.29312966987E-07 5.69510851739E-07 6.12761451278E-07
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8.83563886759E-07 9.50664151691E-07 1.02286006867E-06 1.10053858954E-06
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1.58690008182E-06 1.70741161620E-06 1.83707463970E-06 1.97658406107E-06
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2.12668755061E-06 2.28818954536E-06 2.46195555833E-06 2.64891681466E-06
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2.85007523964E-06 3.06650882514E-06 3.29937740333E-06 3.54992885837E-06
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3.81950580942E-06 4.10955280067E-06 4.42162403678E-06 4.75739170510E-06
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5.11865492919E-06 5.50734940145E-06 5.92555774620E-06 6.37552066886E-06
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6.85964895043E-06 7.38053635157E-06 7.94097349501E-06 8.54396280053E-06
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9.19273455203E-06 9.89076418257E-06 1.06417908695E-05 1.14498375387E-05
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1.23192323851E-05 1.32546320233E-05 1.42610463924E-05 1.53438655473E-05
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1.65088884793E-05 1.77623541196E-05 1.91109746896E-05 2.05619715769E-05
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2.21231139271E-05 2.38027601558E-05 2.56099026022E-05 2.75542155617E-05
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2.96461069507E-05 3.18967738804E-05 3.43182624309E-05 3.69235319454E-05
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3.97265241835E-05 4.27422376988E-05 4.59868078367E-05 4.94775927722E-05
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5.32332660446E-05 5.72739160761E-05 6.16211531993E-05 6.62982247579E-05
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7.13301388867E-05 7.67437976211E-05 8.25681400360E-05 8.88342961663E-05
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9.55757525145E-05 1.02828530013E-04 1.10631375375E-04 1.19025966824E-04
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1.28057135294E-04 1.37773102228E-04 1.48225735240E-04 1.59470822939E-04
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1.71568370374E-04 1.84582916595E-04 1.98583876001E-04 2.13645905219E-04
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2.29849297406E-04 2.47280406008E-04 2.66032100140E-04 2.86204253918E-04
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3.07904272247E-04 3.31247655730E-04 3.56358607575E-04 3.83370685571E-04
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4.12427502420E-04 4.43683477945E-04 4.77304646954E-04 5.13469526795E-04
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5.52370048910E-04 5.94212559019E-04 6.39218890864E-04 6.87627518796E-04
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7.39694794840E-04 7.95696276264E-04 8.55928150079E-04 9.20708761334E-04
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9.90380252517E-04 1.06531032188E-03 1.14589410898E-03 1.23255621629E-03
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1.32575287635E-03 1.42597427434E-03 1.53374703697E-03 1.64963689869E-03
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1.77425155750E-03 1.90824373290E-03 2.05231443956E-03 2.20721649094E-03
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2.37375824797E-03 2.55280762868E-03 2.74529639564E-03 2.95222473888E-03
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3.17466617288E-03 3.41377276723E-03 3.67078073147E-03 3.94701637549E-03
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4.24390246799E-03 4.56296501626E-03 4.90584049161E-03 5.27428352560E-03
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5.67017510311E-03 6.09553127889E-03 6.55251244533E-03 7.04343317929E-03
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7.57077269673E-03 8.13718594392E-03 8.74551535430E-03 9.39880329978E-03
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1.01003052653E-02 1.08535037743E-02 1.16621230918E-02 1.25301447316E-02
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1.34618237894E-02 1.44617061246E-02 1.55346464080E-02 1.66858270502E-02
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1.79207780199E-02 1.92453975574E-02 2.06659737814E-02 2.21892071799E-02
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2.38222339674E-02 2.55726502821E-02 2.74485371849E-02 2.94584864092E-02
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3.16116267986E-02 3.39176513521E-02 3.63868447823E-02 3.90301114713E-02
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4.18590036917E-02 4.48857499382E-02 4.81232831931E-02 5.15852689286E-02
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5.52861326227E-02 5.92410865461E-02 6.34661555531E-02 6.79782015922E-02
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7.27949466338E-02 7.79349937004E-02 8.34178456782E-02 8.92639215935E-02
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9.54945700446E-02 1.02132079512E-01 1.09199685307E-01 1.16721572981E-01
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1.24722878113E-01 1.33229682489E-01 1.42269006850E-01 1.51868800573E-01
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1.62057928847E-01 1.72866158225E-01 1.84324141709E-01 1.96463404945E-01
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2.09316335499E-01 2.22916177704E-01 2.37297036086E-01 2.52493890966E-01
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2.68542630439E-01 2.85480103580E-01 3.03344200324E-01 3.22173964060E-01
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3.42009743469E-01 3.62893390489E-01 3.84868511478E-01 4.07980778496E-01
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5.42396230332E-01 5.73463133926E-01 6.06085870106E-01 6.40346478612E-01
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6.76335031534E-01 7.14150520229E-01 7.53901701787E-01 7.95707860575E-01
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8.39699434150E-01 8.86018449321E-01 9.34818715601E-01 9.86265732494E-01
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1.04053628795E+00 1.09781776215E+00 1.15830720829E+00 1.22221036336E+00
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1.28974084691E+00 1.36111992483E+00 1.43657732289E+00 1.51635361219E+00
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1.60070454713E+00 1.68990721231E+00 1.78426658302E+00 1.88411915791E+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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