mirror of https://github.com/abinit/abinit.git
158 lines
11 KiB
Plaintext
158 lines
11 KiB
Plaintext
#calculated the component: 1 2 3
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#tolerance: 1.000000E-03
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#broadening: 1.000000E-03Ha
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#scissors shift: 0.000000E+00Ha
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#energy window: 3.764934E+01eV 1.383588E+00Ha
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# Energy(eV) Inter(2w) inter(1w) intra(2w) intra(1w)
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# in esu
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#
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0.054423 -6.227090E+00 2.339702E+00 1.152995E+01 -2.835827E+00
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0.108846 -6.396080E+00 2.388867E+00 1.192848E+01 -2.883116E+00
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0.163268 -6.574652E+00 2.440082E+00 1.235697E+01 -2.932084E+00
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0.217691 -6.763697E+00 2.493475E+00 1.281902E+01 -2.982823E+00
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0.272114 -6.964231E+00 2.549185E+00 1.331887E+01 -3.035436E+00
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0.326537 -7.177415E+00 2.607360E+00 1.386149E+01 -3.090030E+00
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0.380959 -7.404589E+00 2.668164E+00 1.445281E+01 -3.146723E+00
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0.435382 -7.647312E+00 2.731772E+00 1.509992E+01 -3.205642E+00
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0.489805 -7.907409E+00 2.798379E+00 1.581137E+01 -3.266924E+00
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0.544228 -8.187038E+00 2.868194E+00 1.659760E+01 -3.330719E+00
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0.598650 -8.488779E+00 2.941447E+00 1.747148E+01 -3.397190E+00
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0.653073 -8.815752E+00 3.018391E+00 1.844907E+01 -3.466514E+00
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0.707496 -9.171781E+00 3.099303E+00 1.955067E+01 -3.538883E+00
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0.761919 -9.561628E+00 3.184486E+00 2.080237E+01 -3.614510E+00
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0.816342 -9.991327E+00 3.274278E+00 2.223823E+01 -3.693627E+00
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0.870764 -1.046868E+01 3.369048E+00 2.390368E+01 -3.776488E+00
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0.925187 -1.100405E+01 3.469209E+00 2.586066E+01 -3.863374E+00
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0.979610 -1.161152E+01 3.575217E+00 2.819595E+01 -3.954596E+00
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1.034033 -1.231101E+01 3.687580E+00 3.103502E+01 -4.050496E+00
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1.088455 -1.313175E+01 3.806866E+00 3.456648E+01 -4.151456E+00
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1.142878 -1.411887E+01 3.933711E+00 3.908736E+01 -4.257900E+00
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1.197301 -1.534652E+01 4.068830E+00 4.509401E+01 -4.370303E+00
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1.251724 -1.694658E+01 4.213025E+00 5.348126E+01 -4.489196E+00
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1.306146 -1.917945E+01 4.367209E+00 6.603468E+01 -4.615177E+00
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1.360569 -2.263842E+01 4.532414E+00 8.685158E+01 -4.748919E+00
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1.414992 -2.896175E+01 4.709815E+00 1.272955E+02 -4.891189E+00
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1.469415 -4.250455E+01 4.900761E+00 2.176291E+02 -5.042855E+00
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1.523837 1.278062E+01 5.106798E+00 -1.714032E+02 -5.204913E+00
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1.578260 9.081897E+00 5.329712E+00 -1.504416E+02 -5.378503E+00
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1.632683 -5.931771E-01 5.571576E+00 -8.843594E+01 -5.564945E+00
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1.687106 -5.622682E+00 5.834809E+00 -5.939936E+01 -5.765769E+00
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1.741529 -8.976784E+00 6.122249E+00 -4.278460E+01 -5.982763E+00
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1.795951 -1.165680E+01 6.437247E+00 -3.177907E+01 -6.218027E+00
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1.850374 -1.408844E+01 6.783790E+00 -2.362292E+01 -6.474048E+00
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1.904797 -1.650887E+01 7.166654E+00 -1.693737E+01 -6.753790E+00
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1.959220 -1.909799E+01 7.591606E+00 -1.084850E+01 -7.060819E+00
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2.013642 -2.204824E+01 8.065676E+00 -4.573726E+00 -7.399463E+00
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2.068065 -2.564663E+01 8.597519E+00 2.985716E+00 -7.775027E+00
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2.122488 -3.047783E+01 9.197903E+00 1.419566E+01 -8.194086E+00
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2.176911 -3.810344E+01 9.880392E+00 3.589171E+01 -8.664893E+00
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2.231333 -3.880393E+01 1.066231E+01 2.031190E+01 -9.197951E+00
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2.285756 -2.589644E+01 1.156612E+01 -6.627888E+01 -9.806839E+00
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2.340179 -3.811945E+01 1.262149E+01 -4.021260E+01 -1.050943E+01
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2.394602 -5.023436E+01 1.386836E+01 -2.740673E+01 -1.132972E+01
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2.449025 -6.582899E+01 1.536182E+01 -1.922887E+01 -1.230073E+01
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2.503447 -8.941417E+01 1.717994E+01 -1.231477E+01 -1.346917E+01
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2.557870 -1.309744E+02 1.943712E+01 -4.450606E+00 -1.490332E+01
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2.612293 -2.200669E+02 2.230768E+01 8.249390E+00 -1.670709E+01
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2.666716 -2.878993E+02 2.607071E+01 1.821770E+01 -1.904661E+01
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2.721138 3.412156E+02 3.120161E+01 -5.158469E+01 -2.220454E+01
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2.775561 1.996517E+02 3.857823E+01 -3.266885E+01 -2.670245E+01
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2.829984 1.418581E+02 5.000785E+01 -2.537951E+01 -3.361349E+01
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2.884407 1.332710E+02 6.981719E+01 -2.902515E+01 -4.550593E+01
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2.938829 1.170252E+02 1.106000E+02 -2.388938E+01 -6.985366E+01
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2.993252 1.163707E+02 1.885596E+02 -2.077132E+01 -1.162726E+02
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3.047675 1.374473E+02 -1.971959E+02 -1.859417E+01 1.124572E+02
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3.102098 1.149943E+02 -1.214714E+02 -1.692225E+01 6.733834E+01
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3.156521 -5.076697E+01 -7.952899E+01 -1.555488E+01 4.224963E+01
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3.210943 -1.474851E+01 -5.936621E+01 -1.441885E+01 3.006696E+01
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3.265366 -7.267954E-01 -4.786425E+01 -1.343621E+01 2.300345E+01
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3.319789 5.093768E+00 -4.054698E+01 -1.257264E+01 1.840015E+01
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3.374212 7.349921E+00 -3.555879E+01 -1.181295E+01 1.515256E+01
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3.428634 7.324773E+00 -3.200515E+01 -1.117593E+01 1.272571E+01
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3.483057 4.451927E+00 -2.940643E+01 -1.078379E+01 1.082995E+01
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3.537480 9.320708E+00 -2.748560E+01 -8.533293E+00 9.294624E+00
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3.591903 2.442707E+01 -2.607457E+01 -5.309625E+00 8.012234E+00
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3.646325 2.069746E+01 -2.506898E+01 -9.838809E+00 6.911016E+00
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3.700748 1.842501E+01 -2.440486E+01 -8.433451E+00 5.940428E+00
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3.755171 1.699961E+01 -2.404641E+01 -7.410166E+00 5.062836E+00
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3.809594 1.581438E+01 -2.397988E+01 -6.451604E+00 4.248361E+00
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3.864017 1.456879E+01 -2.421160E+01 -5.387432E+00 3.471359E+00
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3.918439 1.298579E+01 -2.476954E+01 -4.047608E+00 2.707598E+00
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3.972862 1.063017E+01 -2.570878E+01 -2.120799E+00 1.931481E+00
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4.027285 6.568187E+00 -2.712329E+01 1.172493E+00 1.112562E+00
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4.081708 -1.667389E+00 -2.916860E+01 8.212795E+00 2.101830E-01
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4.136130 -6.466721E+00 -3.210677E+01 1.447976E+00 -8.361466E-01
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4.190553 -9.761151E+00 -3.640148E+01 -3.068713E+01 -2.126313E+00
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4.244976 -1.888938E+01 -4.293957E+01 -2.383224E+01 -3.844515E+00
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4.299399 1.739351E+02 -5.362086E+01 -1.191023E+01 -6.378274E+00
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4.353821 1.618031E+02 -7.323127E+01 -9.232403E+00 -1.069575E+01
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4.408244 1.789577E+02 -1.162830E+02 -9.569165E+00 -1.972304E+01
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4.462667 2.575664E+02 -1.351116E+02 -9.906900E+00 -2.386840E+01
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4.517090 1.230428E+02 1.497572E+02 -8.172346E+00 3.312931E+01
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4.571512 -2.343102E+02 8.536982E+01 -4.356914E+00 1.980809E+01
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4.625935 -1.348011E+02 5.694250E+01 -4.533244E+00 1.371664E+01
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4.680358 -9.438109E+01 4.278229E+01 -3.999774E+00 1.048087E+01
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4.734781 -7.753961E+01 3.464445E+01 -2.884915E+00 8.432479E+00
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4.789204 -7.474170E+01 2.958167E+01 -7.615611E-01 6.967105E+00
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4.843626 -8.932147E+01 2.633436E+01 3.868119E+00 5.816218E+00
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4.898049 9.917865E-01 2.430176E+01 -1.236303E+01 4.837604E+00
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4.952472 1.481927E+01 2.319346E+01 -1.451983E+01 3.941065E+00
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5.006895 -3.609143E+00 2.290150E+01 -1.036839E+01 3.054892E+00
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5.061317 -1.837506E+01 2.346819E+01 -7.483305E+00 2.103594E+00
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5.115740 1.831329E+01 2.512821E+01 -8.824359E+00 9.811141E-01
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5.170163 1.730161E+01 2.848047E+01 -1.136458E+01 -5.037511E-01
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5.224586 1.047056E+01 3.504313E+01 -1.030721E+01 -2.781377E+00
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5.279008 7.092985E+00 4.927300E+01 -9.307186E+00 -7.067152E+00
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5.333431 5.263216E+00 7.932134E+01 -8.672517E+00 -1.556700E+01
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5.387854 4.161618E+00 -6.710674E+01 -8.256265E+00 2.337593E+01
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5.442277 3.427785E+00 -4.109417E+01 -7.994985E+00 1.598156E+01
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5.496700 2.863010E+00 -2.435545E+01 -7.927759E+00 1.104534E+01
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5.551122 2.553758E+00 -1.642501E+01 -7.633465E+00 8.366001E+00
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5.605545 2.882113E+00 -1.180390E+01 -6.103029E+00 6.245770E+00
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5.659968 2.561302E+00 -8.847787E+00 -6.224513E+00 4.684230E+00
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5.714391 2.353582E+00 -8.930482E+00 -6.188140E+00 9.285845E+00
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5.768813 2.197134E+00 -7.182125E+00 -6.099775E+00 7.596346E+00
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5.823236 2.063751E+00 -5.997530E+00 -5.996093E+00 6.646788E+00
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5.877659 1.937106E+00 -5.126450E+00 -5.889581E+00 6.031017E+00
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5.932082 1.803237E+00 -4.439570E+00 -5.785392E+00 5.576401E+00
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5.986504 1.645074E+00 -3.862580E+00 -5.686319E+00 5.215616E+00
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6.040927 1.434556E+00 -3.335031E+00 -5.594954E+00 4.916377E+00
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6.095350 1.112735E+00 -2.776528E+00 -5.515871E+00 4.660827E+00
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6.149773 5.227206E-01 -2.002653E+00 -5.461183E+00 4.438270E+00
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6.204196 -8.304371E-01 -1.265672E+00 -5.388454E+00 4.240815E+00
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6.258618 4.843884E+00 -4.940040E+00 -5.563085E+00 4.053782E+00
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6.313041 4.524923E+00 -3.953205E+00 -4.879783E+00 3.893286E+00
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6.367464 2.376964E+00 -3.449468E+00 -4.305550E+00 3.745305E+00
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6.421887 1.838239E+00 -3.161525E+00 -4.273254E+00 3.608300E+00
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6.476309 1.090964E+00 -2.975650E+00 -4.132101E+00 3.480876E+00
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6.530732 2.337963E+00 -2.851965E+00 -4.729033E+00 3.361851E+00
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6.585155 4.787694E+00 -2.774846E+00 -5.003182E+00 3.250307E+00
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6.639578 3.834331E+00 -2.739369E+00 -4.673859E+00 3.145615E+00
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6.694000 3.385499E+00 -2.747607E+00 -4.537256E+00 3.047501E+00
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6.748423 3.465547E+00 -2.808959E+00 -5.017820E+00 2.956228E+00
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6.802846 2.982843E+00 -2.944125E+00 -4.799294E+00 2.873044E+00
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6.857269 3.779202E+00 -3.196180E+00 -4.492890E+00 2.801349E+00
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6.911691 5.609484E+00 -3.661497E+00 -4.780232E+00 2.750069E+00
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6.966114 5.596824E+00 -4.590473E+00 -4.701426E+00 2.745209E+00
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7.020537 6.156565E+00 -6.755480E+00 -4.680089E+00 2.873516E+00
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7.074960 7.979530E+00 -6.264026E+00 -4.788974E+00 2.603561E+00
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7.129383 4.578490E+00 7.439726E+00 -4.404525E+00 4.869141E-01
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7.183805 -2.441922E+00 4.833587E+00 -3.677516E+00 3.479994E-01
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7.238228 -2.464204E-01 3.538084E-01 -3.829869E+00 3.177989E+00
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7.292651 7.395548E-01 3.474080E-01 -3.866545E+00 2.611780E+00
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7.347074 1.304045E+00 2.876607E-01 -3.860485E+00 2.308791E+00
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7.401496 1.736330E+00 2.181335E-01 -3.834836E+00 2.123499E+00
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7.455919 2.214185E+00 1.709163E-01 -3.794977E+00 1.980654E+00
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7.510342 3.016413E+00 1.483177E-01 -3.732924E+00 1.854359E+00
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7.564765 5.990461E-01 1.480630E-01 -3.808906E+00 1.733157E+00
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7.619187 2.875019E-01 1.682464E-01 -3.831525E+00 1.610440E+00
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7.673610 9.696546E-01 2.082951E-01 -3.776001E+00 1.481161E+00
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7.728033 1.123275E+00 2.692360E-01 -3.752257E+00 1.340327E+00
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7.782456 9.191031E-01 3.540254E-01 -3.758710E+00 1.181949E+00
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7.836879 9.203875E-01 4.682416E-01 -3.507541E+00 9.978667E-01
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7.891301 1.033497E+00 6.214955E-01 -3.514374E+00 7.759342E-01
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7.945724 1.042433E+00 8.302978E-01 -3.504099E+00 4.966765E-01
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8.000147 8.969787E-01 1.124194E+00 -3.480180E+00 1.263759E-01
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8.054570 1.044018E+00 1.560159E+00 -3.502631E+00 -3.989637E-01
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8.108992 1.998285E+00 2.261099E+00 -3.656242E+00 -1.216354E+00
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