mirror of https://github.com/abinit/abinit.git
471 lines
55 KiB
Plaintext
471 lines
55 KiB
Plaintext
#
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# Phonon density of states weighted msq displacement matrix (set to zero below 1e-12)
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#
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# Energy in Ha , DOS in bohr^2 states/Ha
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# Tetrahedron method, nqibz= 145
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#
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# omega MSQDisp[atom=1, xx, yy, zz, yz, xz, xy] MSQDisp[atom=2, xx, yy,...] ...
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#
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-1.80082949E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.76408017E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.72733084E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.69058151E-04 9.44745616E+00 9.44745616E+00 9.44745616E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.65383219E-04 2.32472631E+01 2.32472631E+01 2.32472631E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.61708286E-04 3.20065780E+01 3.20065780E+01 3.20065780E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.58033354E-04 4.03419256E+01 4.03419256E+01 4.03419256E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.54358421E-04 4.83249916E+01 4.83249916E+01 4.83249916E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.50683489E-04 5.59557760E+01 5.59557760E+01 5.59557760E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.47008556E-04 6.32914573E+01 6.32914573E+01 6.32914573E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.43333624E-04 7.05367704E+01 7.05367704E+01 7.05367704E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.39658691E-04 7.77099856E+01 7.77099856E+01 7.77099856E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.35983759E-04 8.48111031E+01 8.48111031E+01 8.48111031E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.32308826E-04 9.18401227E+01 9.18401227E+01 9.18401227E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.28633894E-04 9.87970446E+01 9.87970446E+01 9.87970446E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.24958961E-04 1.05681869E+02 1.05681869E+02 1.05681869E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.21284028E-04 1.09699511E+02 1.09699511E+02 1.09699511E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.17609096E-04 1.08688412E+02 1.08688412E+02 1.08688412E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.13934163E-04 1.02658521E+02 1.02658521E+02 1.02658521E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.10259231E-04 9.61430169E+01 9.61430169E+01 9.61430169E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.06584298E-04 9.45578662E+01 9.45578662E+01 9.45578662E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.02909366E-04 9.49831722E+01 9.49831722E+01 9.49831722E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-9.92344332E-05 1.02673248E+02 1.02673248E+02 1.02673248E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-9.55595007E-05 1.08779849E+02 1.08779849E+02 1.08779849E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-9.18845681E-05 1.13302976E+02 1.13302976E+02 1.13302976E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-8.82096356E-05 1.16242627E+02 1.16242627E+02 1.16242627E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-8.45347030E-05 1.22539531E+02 1.22539531E+02 1.22539531E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-8.08597705E-05 1.06005814E+02 1.06005814E+02 1.06005814E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-7.71848380E-05 1.00556925E+02 1.00556925E+02 1.00556925E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-7.35099054E-05 9.38514762E+01 9.38514762E+01 9.38514762E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-6.98349729E-05 8.58894664E+01 8.58894664E+01 8.58894664E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-6.61600403E-05 7.66708960E+01 7.66708960E+01 7.66708960E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-6.24851078E-05 7.04651527E+01 7.04651527E+01 7.04651527E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-5.88101753E-05 6.95712153E+01 6.95712153E+01 6.95712153E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-5.51352427E-05 6.87588781E+01 6.87588781E+01 6.87588781E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-5.14603102E-05 6.80281411E+01 6.80281411E+01 6.80281411E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-4.77853776E-05 6.73790042E+01 6.73790042E+01 6.73790042E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-4.41104451E-05 6.68114676E+01 6.68114676E+01 6.68114676E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-4.04355126E-05 6.63217438E+01 6.63217438E+01 6.63217438E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-3.67605800E-05 6.58973243E+01 6.58973243E+01 6.58973243E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-3.30856475E-05 6.55293832E+01 6.55293832E+01 6.55293832E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-2.94107149E-05 6.51753453E+01 6.51753453E+01 6.51753453E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-2.57357824E-05 6.48965465E+01 6.48965465E+01 6.48965465E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-2.20608499E-05 6.46929866E+01 6.46929866E+01 6.46929866E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.83859173E-05 6.45646657E+01 6.45646657E+01 6.45646657E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.47109848E-05 6.45115837E+01 6.45115837E+01 6.45115837E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.10360522E-05 6.45337407E+01 6.45337407E+01 6.45337407E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-7.36111970E-06 6.46311367E+01 6.46311367E+01 6.46311367E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-3.68618716E-06 6.48037717E+01 6.48037717E+01 6.48037717E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.12546154E-08 6.50516457E+01 6.50516457E+01 6.50516457E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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3.66367792E-06 6.53469054E+01 6.53469054E+01 6.53469054E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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7.33861046E-06 6.56613552E+01 6.56613552E+01 6.56613552E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.10135430E-05 6.59949949E+01 6.59949949E+01 6.59949949E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.46884755E-05 6.63478244E+01 6.63478244E+01 6.63478244E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.83634081E-05 6.67198437E+01 6.67198437E+01 6.67198437E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.20383406E-05 6.71110529E+01 6.71110529E+01 6.71110529E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.57132732E-05 6.75214519E+01 6.75214519E+01 6.75214519E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.93882057E-05 6.79510408E+01 6.79510408E+01 6.79510408E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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3.30631382E-05 6.83998194E+01 6.83998194E+01 6.83998194E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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3.67380708E-05 6.88677880E+01 6.88677880E+01 6.88677880E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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4.04130033E-05 6.93549463E+01 6.93549463E+01 6.93549463E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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4.40879359E-05 6.98621264E+01 6.98621264E+01 6.98621264E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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4.77628684E-05 7.03978153E+01 7.03978153E+01 7.03978153E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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5.14378009E-05 7.09642328E+01 7.09642328E+01 7.09642328E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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5.51127335E-05 7.15613789E+01 7.15613789E+01 7.15613789E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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5.87876660E-05 7.21892535E+01 7.21892535E+01 7.21892535E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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6.24625986E-05 7.28478568E+01 7.28478568E+01 7.28478568E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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6.61375311E-05 7.35371887E+01 7.35371887E+01 7.35371887E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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6.98124636E-05 7.42572491E+01 7.42572491E+01 7.42572491E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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7.34873962E-05 7.50080382E+01 7.50080382E+01 7.50080382E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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7.71623287E-05 7.57895558E+01 7.57895558E+01 7.57895558E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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8.08372613E-05 7.66018020E+01 7.66018020E+01 7.66018020E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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8.45121938E-05 7.74447769E+01 7.74447769E+01 7.74447769E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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8.81871263E-05 7.83185238E+01 7.83185238E+01 7.83185238E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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9.18620589E-05 7.92345909E+01 7.92345909E+01 7.92345909E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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9.55369914E-05 8.02019781E+01 8.02019781E+01 8.02019781E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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9.92119240E-05 8.11421092E+01 8.11421092E+01 8.11421092E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.02886856E-04 8.18868361E+01 8.18868361E+01 8.18868361E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.06561789E-04 8.27115369E+01 8.27115369E+01 8.27115369E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.10236722E-04 8.36162114E+01 8.36162114E+01 8.36162114E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.13911654E-04 8.46008596E+01 8.46008596E+01 8.46008596E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.17586587E-04 8.56654816E+01 8.56654816E+01 8.56654816E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.21261519E-04 8.68100774E+01 8.68100774E+01 8.68100774E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.24936452E-04 8.80346470E+01 8.80346470E+01 8.80346470E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.28611384E-04 8.93391903E+01 8.93391903E+01 8.93391903E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.32286317E-04 9.07237075E+01 9.07237075E+01 9.07237075E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.35961249E-04 9.21881983E+01 9.21881983E+01 9.21881983E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.39636182E-04 9.37326630E+01 9.37326630E+01 9.37326630E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.43311114E-04 9.53701611E+01 9.53701611E+01 9.53701611E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.46986047E-04 1.03712330E+02 1.03712330E+02 1.03712330E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.50660980E-04 1.06848402E+02 1.06848402E+02 1.06848402E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.54335912E-04 1.04778375E+02 1.04778375E+02 1.04778375E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.58010845E-04 1.06199209E+02 1.06199209E+02 1.06199209E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.61685777E-04 1.07855012E+02 1.07855012E+02 1.07855012E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.65360710E-04 1.09651252E+02 1.09651252E+02 1.09651252E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.69035642E-04 1.11587930E+02 1.11587930E+02 1.11587930E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.72710575E-04 1.13665044E+02 1.13665044E+02 1.13665044E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.76385507E-04 1.15882596E+02 1.15882596E+02 1.15882596E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.80060440E-04 1.18240584E+02 1.18240584E+02 1.18240584E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.83735372E-04 1.20739010E+02 1.20739010E+02 1.20739010E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.87410305E-04 1.23653068E+02 1.23653068E+02 1.23653068E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.91085237E-04 1.26637256E+02 1.26637256E+02 1.26637256E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.94760170E-04 1.29336977E+02 1.29336977E+02 1.29336977E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.98435103E-04 1.31615982E+02 1.31615982E+02 1.31615982E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.02110035E-04 1.33470817E+02 1.33470817E+02 1.33470817E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.05784968E-04 1.34901482E+02 1.34901482E+02 1.34901482E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.09459900E-04 1.36769603E+02 1.36769603E+02 1.36769603E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.13134833E-04 1.39009180E+02 1.39009180E+02 1.39009180E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.16809765E-04 1.41289949E+02 1.41289949E+02 1.41289949E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.20484698E-04 1.43611912E+02 1.43611912E+02 1.43611912E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.24159630E-04 1.45975068E+02 1.45975068E+02 1.45975068E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.27834563E-04 1.48379417E+02 1.48379417E+02 1.48379417E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.31509495E-04 1.50824959E+02 1.50824959E+02 1.50824959E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.35184428E-04 1.59830617E+02 1.59830617E+02 1.59830617E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.38859360E-04 1.70813948E+02 1.70813948E+02 1.70813948E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.42534293E-04 1.70857243E+02 1.70857243E+02 1.70857243E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.46209226E-04 1.65010035E+02 1.65010035E+02 1.65010035E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.49884158E-04 1.68966283E+02 1.68966283E+02 1.68966283E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.53559091E-04 1.73290296E+02 1.73290296E+02 1.73290296E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.57234023E-04 1.77982075E+02 1.77982075E+02 1.77982075E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.60908956E-04 1.83148556E+02 1.83148556E+02 1.83148556E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.64583888E-04 1.88686899E+02 1.88686899E+02 1.88686899E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.68258821E-04 1.94361977E+02 1.94361977E+02 1.94361977E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.71933753E-04 2.00163986E+02 2.00163986E+02 2.00163986E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.75608686E-04 2.06098811E+02 2.06098811E+02 2.06098811E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.79283618E-04 2.12166713E+02 2.12166713E+02 2.12166713E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.82958551E-04 2.17882443E+02 2.17882443E+02 2.17882443E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.86633483E-04 2.22149695E+02 2.22149695E+02 2.22149695E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.90308416E-04 2.26671067E+02 2.26671067E+02 2.26671067E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.93983349E-04 2.31446559E+02 2.31446559E+02 2.31446559E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.97658281E-04 2.36414211E+02 2.36414211E+02 2.36414211E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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3.01333214E-04 2.43339191E+02 2.43339191E+02 2.43339191E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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3.05008146E-04 2.52677906E+02 2.52677906E+02 2.52677906E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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