mirror of https://github.com/abinit/abinit.git
411 lines
81 KiB
Plaintext
411 lines
81 KiB
Plaintext
#
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# ABINIT package : Boltztrap phonon file. With old BT versions remove this header before feeding to BT
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# for compatibility with PHON output the freq are in Ry (before the square)
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#
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# nq, nband
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# qx, qy, qz
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# qpt weight
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# freq_1^2, dynmat column for mode 1
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# etc for mode 2,3,4... qpt 2,3,4...
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50 6
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0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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0.1953125000E-02
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0.0000000000E+00 0.7987462598E-01 0.0000000000E+00 0.1942890293E-15 0.0000000000E+00 -0.3025584169E-16 0.0000000000E+00 -0.7987502430E-01 0.0000000000E+00 -0.2220446007E-15 0.0000000000E+00 0.2775557564E-16 0.0000000000E+00
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0.0000000000E+00 0.1994931997E-15 0.0000000000E+00 0.7987462598E-01 0.0000000000E+00 0.5703058367E-16 0.0000000000E+00 -0.2220446007E-15 0.0000000000E+00 -0.7987502430E-01 0.0000000000E+00 -0.5435466893E-16 0.0000000000E+00
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0.0000000000E+00 -0.3025584169E-16 0.0000000000E+00 0.5703058367E-16 0.0000000000E+00 0.4941048246E+00 0.0000000000E+00 0.2775557587E-16 0.0000000000E+00 -0.4741577516E-16 0.0000000000E+00 -0.4941044763E+00 0.0000000000E+00
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0.2355240241E-02 -0.7987462598E-01 0.0000000000E+00 -0.1919760558E-15 0.0000000000E+00 0.2775557599E-16 0.0000000000E+00 0.7987502430E-01 0.0000000000E+00 0.2042636893E-15 0.0000000000E+00 -0.2775557576E-16 0.0000000000E+00
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0.2355240241E-02 -0.2081668082E-15 0.0000000000E+00 -0.7987462598E-01 0.0000000000E+00 -0.5435466895E-16 0.0000000000E+00 0.2172741154E-15 0.0000000000E+00 0.7987502430E-01 0.0000000000E+00 0.5088522204E-16 0.0000000000E+00
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0.5857872585E-02 0.2775557562E-16 0.0000000000E+00 -0.6129356282E-16 0.0000000000E+00 -0.4941048246E+00 0.0000000000E+00 -0.2775557576E-16 0.0000000000E+00 0.5088522204E-16 0.0000000000E+00 0.4941044763E+00 0.0000000000E+00
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0.1250000000E+00 0.0000000000E+00 0.0000000000E+00
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0.1171875000E-01
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0.8320047623E-03 0.1070579114E+00 0.1094315945E-18 0.4365155424E-02 -0.3278643439E-18 -0.2961759923E-16 0.1591018243E-33 -0.6464136848E-01 -0.3443266036E-01 0.1119630653E-01 -0.2703027506E-01 0.1366259145E-16 0.1912002530E-16
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0.9096672282E-03 0.4365155424E-02 0.3140865146E-19 0.1020174641E+00 -0.8043728968E-18 0.5592511530E-16 -0.1470088388E-33 0.1119630653E-01 -0.2703027506E-01 -0.7756974965E-01 -0.3220787193E-02 -0.5431168831E-16 -0.2588580078E-17
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0.1352680667E-02 -0.2961759923E-16 0.1591018243E-33 0.5592511530E-16 -0.1470088388E-33 0.4836815342E+00 0.3079529548E-18 0.1450391119E-16 0.1279629502E-16 -0.4868161171E-16 0.2910925231E-17 -0.4447197267E+00 -0.1164615419E+00
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0.2564987935E-02 -0.6464101178E-01 0.3443257980E-01 0.1119631609E-01 0.2703029815E-01 0.2081668207E-16 -0.1223762285E-16 0.1502079197E+00 0.2014552866E-17 0.2044122911E-01 0.1174912691E-17 -0.2743797397E-16 0.3959950736E-34
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0.2649267212E-02 0.1119631609E-01 0.2703029815E-01 -0.7756940399E-01 0.3220679982E-02 -0.5469339477E-16 0.4116129324E-17 0.2044122911E-01 -0.1389968587E-17 0.1266044214E+00 0.2984669720E-17 0.5033511961E-16 0.1226942868E-33
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0.5734716745E-02 0.2081668172E-16 -0.1351351682E-16 -0.6163228865E-16 0.8420840675E-17 -0.4447200215E+00 0.1164616240E+00 -0.2743797397E-16 -0.3262286555E-34 0.5033511961E-16 0.3950619116E-33 0.4889176455E+00 -0.3915887896E-18
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0.2500000000E+00 0.0000000000E+00 0.0000000000E+00
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0.1171875000E-01
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0.1552261220E-02 0.1726841678E+00 -0.1734723476E-17 0.1490357285E-01 0.0000000000E+00 -0.2807674562E-16 0.9629649722E-34 -0.2786406999E-01 -0.4869513527E-01 0.3822658159E-01 -0.3822658159E-01 0.9901814012E-17 0.6938893930E-17
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0.1782250364E-02 0.1490357285E-01 0.0000000000E+00 0.1554750042E+00 0.0000000000E+00 0.5325627856E-16 0.0000000000E+00 0.3822658159E-01 -0.3822658159E-01 -0.7200432433E-01 -0.4554880930E-02 -0.4099617132E-16 -0.1619075246E-16
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0.2463925787E-02 -0.2807674562E-16 0.9629649722E-34 0.5325627856E-16 0.0000000000E+00 0.4585174851E+00 0.0000000000E+00 0.1035412624E-16 0.6938894160E-17 -0.4073502874E-16 -0.9251858687E-17 -0.3254943945E+00 -0.1647014921E+00
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0.3004090538E-02 -0.2786381375E-01 0.4869502135E-01 0.3822661423E-01 0.3822661423E-01 0.6938894224E-17 -0.6938893904E-17 0.3200065496E+00 0.1387778781E-16 0.6979072167E-01 0.9974659987E-17 -0.2667121543E-16 -0.9629649722E-34
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0.3278299210E-02 0.3822661423E-01 0.3822661423E-01 -0.7200410579E-01 0.4554729310E-02 -0.4163336342E-16 0.1705035937E-16 0.6979072167E-01 -0.4770489559E-17 0.2394191657E+00 0.0000000000E+00 0.4900705486E-16 0.0000000000E+00
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0.5393425792E-02 0.6938893907E-17 -0.6938893904E-17 -0.4163336342E-16 0.2382642640E-16 -0.3254945600E+00 0.1647016082E+00 -0.2667121543E-16 -0.9629649722E-34 0.4900705486E-16 0.3851859889E-33 0.4763955282E+00 0.0000000000E+00
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0.3750000000E+00 0.0000000000E+00 0.0000000000E+00
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0.1171875000E-01
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0.2043658569E-02 0.2383104241E+00 -0.1578148671E-17 0.2544199028E-01 -0.2563473774E-18 -0.2653589201E-16 0.1907145086E-33 0.8913228505E-02 -0.3443266036E-01 0.6525685665E-01 -0.2703027506E-01 -0.7978573301E-18 -0.9648604005E-17
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0.2536306324E-02 0.2544199028E-01 0.1029256179E-18 0.2089325442E+00 0.5853140386E-19 0.5058744183E-16 0.2619092846E-36 0.6525685665E-01 -0.2703027506E-01 -0.6643889900E-01 -0.3220787193E-02 -0.3115010129E-16 -0.1519198369E-16
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0.3163363389E-02 -0.2653589201E-16 0.1907145086E-33 0.5058744183E-16 0.2619092846E-36 0.4333534360E+00 -0.5042979917E-18 -0.7345526175E-18 -0.8128815920E-17 -0.3625789272E-16 -0.9170193206E-17 -0.2062690624E+00 -0.1164615419E+00
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0.3379380762E-02 0.8913384271E-02 0.3443257980E-01 0.6525691238E-01 0.2703029815E-01 0.2788779904E-24 0.1381033331E-16 0.4898051795E+00 -0.5410616170E-18 0.1191402142E+00 -0.1592494261E-17 -0.2590445688E-16 0.9044883247E-34
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0.3844622519E-02 0.6525691238E-01 0.2703029815E-01 -0.6643880759E-01 0.3220679982E-02 -0.3551222598E-16 0.1377842555E-16 0.1191402142E+00 -0.9047690205E-18 0.3522339100E+00 0.2381581376E-18 0.4767899010E-16 -0.1783660487E-34
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0.4937974878E-02 0.3107584797E-26 0.1276059950E-16 -0.2857333210E-16 0.2152033060E-16 -0.2062690985E+00 0.1164616240E+00 -0.2590445688E-16 0.1822645956E-34 0.4767899010E-16 0.2545310199E-33 0.4638734109E+00 -0.9526821116E-19
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0.5000000000E+00 0.0000000000E+00 0.0000000000E+00
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0.5859375000E-02
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0.2218109588E-02 0.2654937095E+00 -0.2449942845E-35 0.2980714570E-01 0.1084728700E-33 -0.2589764955E-16 -0.1419015812E-49 0.2414688433E-01 -0.1544870156E-16 0.7645316318E-01 -0.1316941228E-16 0.1387778778E-16 -0.2182973540E-16
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0.2899372839E-02 0.2980714570E-01 -0.6427076362E-34 0.2310753824E+00 -0.1348379752E-32 0.4948197345E-16 0.3928952293E-49 0.7645316318E-01 -0.1316941228E-16 -0.6413362435E-01 -0.6353021761E-17 -0.1503427011E-16 -0.4745106263E-17
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0.3398256996E-02 -0.2589764955E-16 -0.1419015812E-49 0.4948197345E-16 0.3928952293E-49 0.4229301456E+00 -0.6429448103E-33 0.1387778755E-16 -0.2092511094E-16 -0.2197316388E-16 -0.4548469012E-17 -0.1568843128E+00 -0.6800705355E-16
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0.3521502942E-02 0.2414699848E-01 0.1544865149E-16 0.7645322847E-01 0.1316942353E-16 0.1387778807E-16 0.2092509780E-16 0.5601380749E+00 -0.7537069769E-33 0.1395814433E+00 -0.2359109392E-33 -0.2558685510E-16 -0.1527096605E-49
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0.4067068327E-02 0.7645322847E-01 0.1316942353E-16 -0.6413358559E-01 0.6352963919E-17 -0.1503427009E-16 0.4548466154E-17 0.1395814433E+00 -0.2699097439E-33 0.3989633071E+00 -0.2726302843E-34 0.4712888767E-16 -0.2167132117E-49
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0.4670105158E-02 0.1387778781E-16 0.2182973840E-16 -0.8095376221E-17 0.4745106916E-17 -0.1568842953E+00 0.6800709928E-16 -0.2558685510E-16 0.7656222142E-51 0.4712888767E-16 0.1110288284E-48 0.4586865801E+00 -0.8993036710E-35
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0.1250000000E+00 0.1250000000E+00 0.0000000000E+00
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0.1171875000E-01
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0.1449675394E-02 0.1405558096E+00 -0.1734723476E-17 0.1053841743E-01 0.1734723476E-17 -0.2205363890E-16 0.9629649722E-34 -0.1525950460E-01 -0.8146988611E-01 0.2703027506E-01 -0.1119630653E-01 0.1648350436E-16 0.8461193800E-17
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0.1556457607E-02 0.1053841743E-01 0.0000000000E+00 0.1527245259E+00 -0.6938893904E-17 0.6525197378E-16 0.0000000000E+00 0.2703027506E-01 -0.1119630653E-01 -0.7232814011E-01 -0.6117758601E-02 -0.2602629543E-16 -0.3321348305E-16
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0.2138009606E-02 -0.2205363890E-16 0.9629649722E-34 0.6525197378E-16 0.0000000000E+00 0.4658878644E+00 0.0000000000E+00 0.1600375464E-16 0.9491083002E-17 -0.2875654834E-16 -0.2289041070E-16 -0.2792087392E+00 -0.2792087392E+00
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0.2956639850E-02 -0.1525926765E-01 0.8146970571E-01 0.2703029815E-01 0.1119631609E-01 0.1994409886E-16 -0.1355984500E-16 0.2098331444E+00 0.6938893904E-17 0.4934949256E-01 0.3035766083E-17 -0.1987356966E-16 -0.9629649722E-34
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0.3047025201E-02 0.2703029815E-01 0.1119631609E-01 -0.7232795190E-01 0.6117513849E-02 -0.3242800032E-16 0.3216265376E-16 0.4934949256E-01 0.2168404345E-17 0.2668170301E+00 0.0000000000E+00 0.6155888501E-16 0.0000000000E+00
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0.5501572846E-02 0.1904190523E-16 -0.1446203831E-16 -0.2899120522E-16 0.4142175468E-16 -0.2792089040E+00 0.2792089040E+00 -0.1987356966E-16 -0.9629649722E-34 0.6155888501E-16 0.3851859889E-33 0.4800631714E+00 0.8673617380E-18
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0.2500000000E+00 0.1250000000E+00 0.0000000000E+00
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0.2343750000E-01
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0.2043124137E-02 0.2061820660E+00 0.2980044377E-18 0.2107683485E-01 0.8255652599E-18 -0.2051278529E-16 -0.1718558003E-33 0.2083106528E-01 -0.6652068259E-01 0.5406055013E-01 -0.1074434172E-15 0.9813077853E-17 0.9813077880E-17
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0.2304591210E-02 0.2107683485E-01 -0.5498852207E-18 0.2061820660E+00 0.4381967782E-17 0.6258313705E-16 -0.6348245682E-34 0.5406055013E-01 -0.1074434172E-15 -0.6744944340E-01 -0.4096936255E-02 -0.1039131902E-16 -0.2886099245E-16
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0.2863641360E-02 -0.2051278529E-16 -0.1718558003E-33 0.6258313705E-16 -0.6348245682E-34 0.4407238154E+00 -0.9894869207E-18 0.9813077739E-17 0.9813077995E-17 -0.2020439682E-16 -0.2395445358E-16 -0.1607929025E+00 -0.2301592936E+00
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0.3373840613E-02 0.2083120759E-01 0.6652054139E-01 0.5406059629E-01 0.9174821415E-16 0.1387778810E-16 -0.9813077838E-17 0.3796317744E+00 -0.1269011162E-17 0.9869898512E-01 0.1380987479E-17 -0.1910681112E-16 -0.3588562998E-33
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0.3615746274E-02 0.5406059629E-01 0.9174821415E-16 -0.6744937648E-01 0.4096741743E-02 -0.1361960105E-16 0.2996049465E-16 0.9869898512E-01 -0.4870181185E-17 0.3796317744E+00 0.5876411199E-17 0.6023082026E-16 -0.7831741543E-34
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0.5092122440E-02 0.1387778781E-16 -0.9813077866E-17 -0.5276267045E-17 0.3505169261E-16 -0.1607929518E+00 0.2301594106E+00 -0.1910681112E-16 -0.4589268386E-34 0.6023082026E-16 0.1940502093E-33 0.4675410541E+00 0.1431722207E-18
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0.3750000000E+00 0.1250000000E+00 0.0000000000E+00
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0.2343750000E-01
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0.2369510944E-02 0.2579330386E+00 0.2712227792E-17 0.2544199028E-01 -0.1099173511E-18 -0.2210502663E-16 -0.1119584464E-33 0.3646699741E-01 -0.3208802223E-01 0.6525685665E-01 0.2703027506E-01 0.1116496193E-16 0.1047550431E-17
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0.2890745871E-02 0.2544199028E-01 -0.3203745991E-18 0.2386360533E+00 -0.2219096538E-17 0.5605098903E-16 -0.9766636210E-35 0.6525685665E-01 0.2703027506E-01 -0.6474189244E-01 -0.8761490619E-03 -0.1094536735E-16 -0.2021863078E-16
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0.3329443768E-02 -0.2210502663E-16 -0.1119584464E-33 0.5605098903E-16 -0.9766636210E-35 0.4229301456E+00 0.1587746373E-18 0.1013507273E-16 0.1207466791E-17 -0.1636190076E-16 -0.1276649444E-16 -0.1109339615E+00 -0.1136977517E+00
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0.3553227539E-02 0.3646709469E-01 0.3208796158E-01 0.6525691238E-01 -0.2703029815E-01 0.1383009051E-16 -0.9860775402E-17 0.5247328275E+00 0.1082042459E-18 0.1191402142E+00 -0.6020300365E-18 -0.2147333143E-16 -0.9255983751E-34
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0.4010609012E-02 0.6525691238E-01 -0.2703029815E-01 -0.6474188160E-01 0.8760617616E-03 -0.9530818587E-17 0.1744303696E-16 0.1191402142E+00 -0.2799609780E-18 0.4343685545E+00 -0.3443864612E-17 0.5425371966E-16 0.1599920448E-33
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0.4675450069E-02 0.1308781638E-16 -0.1060304930E-16 -0.1187484600E-17 0.1198252108E-16 -0.1109339491E+00 0.1136977866E+00 -0.2147333143E-16 0.6392197047E-34 0.5425371966E-16 -0.3380123082E-33 0.4586865801E+00 -0.2182895011E-18
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0.2500000000E+00 0.2500000000E+00 0.0000000000E+00
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0.1171875000E-01
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0.2555322949E-02 0.2396799641E+00 0.3153015738E-17 0.1490357285E-01 -0.9125806393E-18 -0.1294882496E-16 -0.1742694985E-33 0.6621038151E-01 -0.4537931623E-01 0.3822658159E-01 0.3822658159E-01 0.6938893904E-17 0.6938893904E-17
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0.2882156722E-02 0.1490357285E-01 0.8221428367E-18 0.2568891277E+00 0.3645349064E-18 0.7190999553E-16 0.1992666084E-33 0.3822658159E-01 0.3822658159E-01 -0.6621038151E-01 -0.1239061886E-02 0.6938893904E-17 -0.1040834086E-16
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0.3209736154E-02 -0.1294882496E-16 -0.1742694985E-33 0.7190999553E-16 0.1992666084E-33 0.4229301456E+00 0.1089548035E-17 0.6938893904E-17 0.6938893904E-17 -0.5401187151E-32 -0.1040834086E-16 -0.8101278658E-16 -0.1607929025E+00
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0.3615044775E-02 0.6621043805E-01 0.4537923046E-01 0.3822661423E-01 -0.3822661423E-01 0.6938894224E-17 -0.6938893846E-17 0.4392569991E+00 -0.3650992031E-17 0.6979072167E-01 0.2231763839E-17 -0.1154240681E-16 0.1145928071E-33
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0.3938217647E-02 0.3822661423E-01 -0.3822661423E-01 -0.6621043805E-01 0.1238938425E-02 0.6938893904E-17 0.9892053148E-17 0.6979072167E-01 -0.2105044850E-17 0.5198443830E+00 -0.5116099166E-17 0.7145458566E-16 -0.6872574188E-33
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0.4680749691E-02 0.6938893907E-17 -0.6938893903E-17 0.1387778781E-16 0.9369758686E-17 -0.8149147976E-16 0.1607929518E+00 -0.1154240681E-16 0.1145928071E-33 0.7145458566E-16 0.4683005478E-33 0.4586865801E+00 0.5421801654E-18
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0.3750000000E+00 0.2500000000E+00 0.0000000000E+00
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0.1171875000E-01
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0.2751384583E-02 0.2718083223E+00 0.1476795351E-17 0.1053841743E-01 0.1848304110E-18 -0.1897193168E-16 0.1688773270E-33 0.5360581612E-01 -0.1260456539E-01 0.2703027506E-01 0.6525685665E-01 0.7154090300E-17 0.1696656412E-17
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0.3197075358E-02 0.1053841743E-01 0.1560280892E-17 0.2596396060E+00 0.3415372985E-17 0.5991430031E-16 -0.5567927706E-33 0.2703027506E-01 0.6525685665E-01 -0.6588656573E-01 0.3238157850E-03 0.4360500331E-18 0.1646636789E-16
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0.3446740044E-02 -0.1897193168E-16 0.1688773270E-33 0.5991430031E-16 -0.5567927706E-33 0.4155597663E+00 0.4491872002E-18 0.6312770882E-17 0.1081492783E-17 -0.5194026757E-17 0.1443630953E-16 -0.4628565534E-01 -0.4628565534E-01
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