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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# Gaussian method with smearing = 3.67493254E-05Ha , 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 5.38238101E+01 5.38238101E+01 5.38238101E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.76408017E-04 5.79093515E+01 5.79093515E+01 5.79093515E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.72733084E-04 6.19621958E+01 6.19621958E+01 6.19621958E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.69058151E-04 6.59540272E+01 6.59540272E+01 6.59540272E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.65383219E-04 6.98590692E+01 6.98590692E+01 6.98590692E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.61708286E-04 7.36541842E+01 7.36541842E+01 7.36541842E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.58033354E-04 7.73187332E+01 7.73187332E+01 7.73187332E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.54358421E-04 8.08342291E+01 8.08342291E+01 8.08342291E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.50683489E-04 8.41838423E+01 8.41838423E+01 8.41838423E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.47008556E-04 8.73518297E+01 8.73518297E+01 8.73518297E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.43333624E-04 9.03229668E+01 9.03229668E+01 9.03229668E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.39658691E-04 9.30820613E+01 9.30820613E+01 9.30820613E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.35983759E-04 9.56136179E+01 9.56136179E+01 9.56136179E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.32308826E-04 9.79017039E+01 9.79017039E+01 9.79017039E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.28633894E-04 9.99300458E+01 9.99300458E+01 9.99300458E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.24958961E-04 1.01682360E+02 1.01682360E+02 1.01682360E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.21284028E-04 1.03142888E+02 1.03142888E+02 1.03142888E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.17609096E-04 1.04297102E+02 1.04297102E+02 1.04297102E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.13934163E-04 1.05132491E+02 1.05132491E+02 1.05132491E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.10259231E-04 1.05639370E+02 1.05639370E+02 1.05639370E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.06584298E-04 1.05811621E+02 1.05811621E+02 1.05811621E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.02909366E-04 1.05647287E+02 1.05647287E+02 1.05647287E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-9.92344332E-05 1.05148959E+02 1.05148959E+02 1.05148959E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-9.55595007E-05 1.04323915E+02 1.04323915E+02 1.04323915E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-9.18845681E-05 1.03183990E+02 1.03183990E+02 1.03183990E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-8.82096356E-05 1.01745180E+02 1.01745180E+02 1.01745180E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-8.45347030E-05 1.00027034E+02 1.00027034E+02 1.00027034E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-8.08597705E-05 9.80518600E+01 9.80518600E+01 9.80518600E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-7.71848380E-05 9.58438479E+01 9.58438479E+01 9.58438479E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-7.35099054E-05 9.34281636E+01 9.34281636E+01 9.34281636E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-6.98349729E-05 9.08301138E+01 9.08301138E+01 9.08301138E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-6.61600403E-05 8.80744422E+01 8.80744422E+01 8.80744422E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-6.24851078E-05 8.51848189E+01 8.51848189E+01 8.51848189E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-5.88101753E-05 8.21835557E+01 8.21835557E+01 8.21835557E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-5.51352427E-05 7.90915576E+01 7.90915576E+01 7.90915576E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-5.14603102E-05 7.59284964E+01 7.59284964E+01 7.59284964E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-4.77853776E-05 7.27131661E+01 7.27131661E+01 7.27131661E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-4.41104451E-05 6.94639630E+01 6.94639630E+01 6.94639630E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-4.04355126E-05 6.61994191E+01 6.61994191E+01 6.61994191E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-3.67605800E-05 6.29387155E+01 6.29387155E+01 6.29387155E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-3.30856475E-05 5.97021011E+01 5.97021011E+01 5.97021011E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-2.94107149E-05 5.65111575E+01 5.65111575E+01 5.65111575E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-2.57357824E-05 5.33888664E+01 5.33888664E+01 5.33888664E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-2.20608499E-05 5.03594571E+01 5.03594571E+01 5.03594571E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.83859173E-05 4.74480370E+01 4.74480370E+01 4.74480370E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.47109848E-05 4.46800292E+01 4.46800292E+01 4.46800292E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.10360522E-05 4.20804654E+01 4.20804654E+01 4.20804654E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-7.36111970E-06 3.96731915E+01 3.96731915E+01 3.96731915E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-3.68618716E-06 3.74800576E+01 3.74800576E+01 3.74800576E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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-1.12546154E-08 3.55201613E+01 3.55201613E+01 3.55201613E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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3.66367792E-06 3.38092092E+01 3.38092092E+01 3.38092092E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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7.33861046E-06 3.23590487E+01 3.23590487E+01 3.23590487E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.10135430E-05 3.11774053E+01 3.11774053E+01 3.11774053E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.46884755E-05 3.02678418E+01 3.02678418E+01 3.02678418E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.83634081E-05 2.96299358E+01 2.96299358E+01 2.96299358E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.20383406E-05 2.92596535E+01 2.92596535E+01 2.92596535E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.57132732E-05 2.91498846E+01 2.91498846E+01 2.91498846E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.93882057E-05 2.92910925E+01 2.92910925E+01 2.92910925E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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3.30631382E-05 2.96720313E+01 2.96720313E+01 2.96720313E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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3.67380708E-05 3.02804815E+01 3.02804815E+01 3.02804815E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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4.04130033E-05 3.11039624E+01 3.11039624E+01 3.11039624E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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4.40879359E-05 3.21303884E+01 3.21303884E+01 3.21303884E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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4.77628684E-05 3.33486467E+01 3.33486467E+01 3.33486467E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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5.14378009E-05 3.47490826E+01 3.47490826E+01 3.47490826E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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5.51127335E-05 3.63238876E+01 3.63238876E+01 3.63238876E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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5.87876660E-05 3.80673882E+01 3.80673882E+01 3.80673882E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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6.24625986E-05 3.99762359E+01 3.99762359E+01 3.99762359E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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6.61375311E-05 4.20494927E+01 4.20494927E+01 4.20494927E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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6.98124636E-05 4.42886049E+01 4.42886049E+01 4.42886049E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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7.34873962E-05 4.66972487E+01 4.66972487E+01 4.66972487E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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7.71623287E-05 4.92810279E+01 4.92810279E+01 4.92810279E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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8.08372613E-05 5.20470018E+01 5.20470018E+01 5.20470018E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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8.45121938E-05 5.50030258E+01 5.50030258E+01 5.50030258E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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8.81871263E-05 5.81568949E+01 5.81568949E+01 5.81568949E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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9.18620589E-05 6.15152975E+01 6.15152975E+01 6.15152975E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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9.55369914E-05 6.50826079E+01 6.50826079E+01 6.50826079E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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9.92119240E-05 6.88595685E+01 6.88595685E+01 6.88595685E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.02886856E-04 7.28419383E+01 7.28419383E+01 7.28419383E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.06561789E-04 7.70192050E+01 7.70192050E+01 7.70192050E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.10236722E-04 8.13734734E+01 8.13734734E+01 8.13734734E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.13911654E-04 8.58786454E+01 8.58786454E+01 8.58786454E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.17586587E-04 9.05000056E+01 9.05000056E+01 9.05000056E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.21261519E-04 9.51943022E+01 9.51943022E+01 9.51943022E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.24936452E-04 9.99103875E+01 9.99103875E+01 9.99103875E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.28611384E-04 1.04590441E+02 1.04590441E+02 1.04590441E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.32286317E-04 1.09171750E+02 1.09171750E+02 1.09171750E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.35961249E-04 1.13588990E+02 1.13588990E+02 1.13588990E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.39636182E-04 1.17776878E+02 1.17776878E+02 1.17776878E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.43311114E-04 1.21673068E+02 1.21673068E+02 1.21673068E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.46986047E-04 1.25221110E+02 1.25221110E+02 1.25221110E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.50660980E-04 1.28373297E+02 1.28373297E+02 1.28373297E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.54335912E-04 1.31093227E+02 1.31093227E+02 1.31093227E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.58010845E-04 1.33357911E+02 1.33357911E+02 1.33357911E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.61685777E-04 1.35159318E+02 1.35159318E+02 1.35159318E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.65360710E-04 1.36505253E+02 1.36505253E+02 1.36505253E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.69035642E-04 1.37419526E+02 1.37419526E+02 1.37419526E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.72710575E-04 1.37941406E+02 1.37941406E+02 1.37941406E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.76385507E-04 1.38124403E+02 1.38124403E+02 1.38124403E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.80060440E-04 1.38034432E+02 1.38034432E+02 1.38034432E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.83735372E-04 1.37747475E+02 1.37747475E+02 1.37747475E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.87410305E-04 1.37346846E+02 1.37346846E+02 1.37346846E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.91085237E-04 1.36920199E+02 1.36920199E+02 1.36920199E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.94760170E-04 1.36556402E+02 1.36556402E+02 1.36556402E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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1.98435103E-04 1.36342424E+02 1.36342424E+02 1.36342424E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.02110035E-04 1.36360360E+02 1.36360360E+02 1.36360360E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.05784968E-04 1.36684708E+02 1.36684708E+02 1.36684708E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.09459900E-04 1.37380022E+02 1.37380022E+02 1.37380022E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.13134833E-04 1.38499017E+02 1.38499017E+02 1.38499017E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.16809765E-04 1.40081208E+02 1.40081208E+02 1.40081208E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.20484698E-04 1.42152125E+02 1.42152125E+02 1.42152125E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.24159630E-04 1.44723146E+02 1.44723146E+02 1.44723146E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.27834563E-04 1.47791917E+02 1.47791917E+02 1.47791917E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.31509495E-04 1.51343352E+02 1.51343352E+02 1.51343352E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.35184428E-04 1.55351139E+02 1.55351139E+02 1.55351139E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.38859360E-04 1.59779666E+02 1.59779666E+02 1.59779666E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.42534293E-04 1.64586268E+02 1.64586268E+02 1.64586268E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.46209226E-04 1.69723664E+02 1.69723664E+02 1.69723664E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.49884158E-04 1.75142465E+02 1.75142465E+02 1.75142465E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.53559091E-04 1.80793626E+02 1.80793626E+02 1.80793626E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.57234023E-04 1.86630731E+02 1.86630731E+02 1.86630731E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.60908956E-04 1.92612019E+02 1.92612019E+02 1.92612019E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.64583888E-04 1.98702070E+02 1.98702070E+02 1.98702070E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.68258821E-04 2.04873111E+02 2.04873111E+02 2.04873111E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.71933753E-04 2.11105916E+02 2.11105916E+02 2.11105916E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.75608686E-04 2.17390292E+02 2.17390292E+02 2.17390292E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.79283618E-04 2.23725174E+02 2.23725174E+02 2.23725174E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.82958551E-04 2.30118347E+02 2.30118347E+02 2.30118347E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.86633483E-04 2.36585835E+02 2.36585835E+02 2.36585835E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.90308416E-04 2.43151007E+02 2.43151007E+02 2.43151007E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.93983349E-04 2.49843433E+02 2.49843433E+02 2.49843433E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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2.97658281E-04 2.56697564E+02 2.56697564E+02 2.56697564E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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3.01333214E-04 2.63751290E+02 2.63751290E+02 2.63751290E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00
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