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 -1.214189E+01 1.824876E-03 2.234067E+01 -5.581770E+00
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0.108846 -1.216626E+01 3.657695E-03 2.241349E+01 -5.586307E+00
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0.163268 -1.220714E+01 5.506479E-03 2.253606E+01 -5.593888E+00
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0.217691 -1.226491E+01 7.379418E-03 2.271018E+01 -5.604539E+00
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0.272114 -1.234013E+01 9.284952E-03 2.293852E+01 -5.618301E+00
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0.326537 -1.243357E+01 1.123186E-02 2.322466E+01 -5.635223E+00
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0.380959 -1.254618E+01 1.322938E-02 2.357329E+01 -5.655370E+00
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0.435382 -1.267920E+01 1.528727E-02 2.399038E+01 -5.678816E+00
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0.489805 -1.283414E+01 1.741598E-02 2.448350E+01 -5.705653E+00
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0.544228 -1.301288E+01 1.962672E-02 2.506221E+01 -5.735985E+00
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0.598650 -1.321773E+01 2.193169E-02 2.573858E+01 -5.769931E+00
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0.653073 -1.345159E+01 2.434417E-02 2.652794E+01 -5.807630E+00
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0.707496 -1.371806E+01 2.687874E-02 2.744994E+01 -5.849236E+00
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0.761919 -1.402169E+01 2.955153E-02 2.853008E+01 -5.894927E+00
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0.816342 -1.436834E+01 3.238044E-02 2.980189E+01 -5.944899E+00
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0.870764 -1.476564E+01 3.538546E-02 3.131030E+01 -5.999377E+00
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0.925187 -1.522378E+01 3.858904E-02 3.311681E+01 -6.058611E+00
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0.979610 -1.575672E+01 4.201647E-02 3.530777E+01 -6.122882E+00
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1.034033 -1.638422E+01 4.569645E-02 3.800830E+01 -6.192508E+00
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1.088455 -1.713538E+01 4.966163E-02 4.140664E+01 -6.267843E+00
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1.142878 -1.805522E+01 5.394936E-02 4.579952E+01 -6.349289E+00
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1.197301 -1.921779E+01 5.860260E-02 5.168298E+01 -6.437295E+00
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1.251724 -2.075483E+01 6.367095E-02 5.995160E+01 -6.532372E+00
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1.306146 -2.292667E+01 6.921197E-02 7.239068E+01 -6.635096E+00
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1.360569 -2.632650E+01 7.529283E-02 9.309731E+01 -6.746122E+00
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1.414992 -3.259251E+01 8.199229E-02 1.334348E+02 -6.866195E+00
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1.469415 -4.607970E+01 8.940323E-02 2.236656E+02 -6.996168E+00
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1.523837 9.259438E+00 9.763583E-02 -1.654660E+02 -7.137017E+00
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1.578260 5.613097E+00 1.068216E-01 -1.446005E+02 -7.289868E+00
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1.632683 -4.011098E+00 1.171184E-01 -8.268772E+01 -7.456025E+00
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1.687106 -8.991166E+00 1.287174E-01 -5.374109E+01 -7.637002E+00
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1.741529 -1.229722E+01 1.418514E-01 -3.721345E+01 -7.834572E+00
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1.795951 -1.493050E+01 1.568065E-01 -2.629235E+01 -8.050823E+00
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1.850374 -1.731669E+01 1.739373E-01 -1.821805E+01 -8.288228E+00
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1.904797 -1.969289E+01 1.936873E-01 -1.161190E+01 -8.549739E+00
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1.959220 -2.223895E+01 2.166175E-01 -5.600098E+00 -8.838910E+00
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2.013642 -2.514727E+01 2.434448E-01 5.998529E-01 -9.160057E+00
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2.068065 -2.870481E+01 2.750977E-01 8.086614E+00 -9.518473E+00
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2.122488 -3.349621E+01 3.127950E-01 1.922592E+01 -9.920724E+00
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2.176911 -4.108302E+01 3.581617E-01 4.085331E+01 -1.037505E+01
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2.231333 -4.174567E+01 4.134024E-01 2.520671E+01 -1.089195E+01
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2.285756 -2.880128E+01 4.815673E-01 -6.144905E+01 -1.148499E+01
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2.340179 -4.098828E+01 5.669722E-01 -3.544602E+01 -1.217203E+01
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2.394602 -5.306805E+01 6.758834E-01 -2.270174E+01 -1.297707E+01
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2.449025 -6.862837E+01 8.176758E-01 -1.458388E+01 -1.393311E+01
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2.503447 -9.218005E+01 1.006881E+00 -7.728239E+00 -1.508686E+01
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2.557870 -1.337075E+02 1.266995E+00 7.894655E-02 -1.650658E+01
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2.612293 -2.227681E+02 1.638017E+00 1.272338E+01 -1.829619E+01
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2.666716 -2.905693E+02 2.192552E+00 2.263750E+01 -2.062179E+01
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2.721138 3.385762E+02 3.073651E+00 -4.721778E+01 -2.376606E+01
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2.775561 1.970422E+02 4.595605E+00 -2.835355E+01 -2.825055E+01
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2.829984 1.392778E+02 7.562241E+00 -2.111460E+01 -3.514840E+01
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2.884407 1.307192E+02 1.455487E+01 -2.480944E+01 -4.702787E+01
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2.938829 1.145014E+02 3.768123E+01 -1.972175E+01 -7.136287E+01
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2.993252 1.138743E+02 1.860703E+02 -1.665065E+01 -1.177693E+02
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3.047675 1.349777E+02 1.997860E+02 -1.451942E+01 1.109728E+02
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3.102098 1.125509E+02 3.930559E+01 -1.289238E+01 6.586608E+01
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3.156521 -5.318469E+01 1.492253E+01 -1.156890E+01 4.078927E+01
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3.210943 -1.714106E+01 7.661200E+00 -1.047581E+01 2.861831E+01
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3.265366 -3.094692E+00 4.596920E+00 -9.535176E+00 2.156633E+01
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3.319789 2.750031E+00 3.023209E+00 -8.712719E+00 1.697436E+01
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3.374212 5.029863E+00 2.105493E+00 -7.993274E+00 1.373793E+01
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3.428634 5.027929E+00 1.519204E+00 -7.395659E+00 1.132206E+01
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3.483057 2.177845E+00 1.116846E+00 -7.042109E+00 9.437094E+00
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3.537480 7.068948E+00 8.232800E-01 -4.829410E+00 7.912410E+00
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3.591903 2.219721E+01 5.965597E-01 -1.642777E+00 6.640493E+00
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3.646325 1.848907E+01 4.112510E-01 -6.208254E+00 5.549587E+00
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3.700748 1.623770E+01 2.505340E-01 -4.838470E+00 4.589154E+00
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3.755171 1.483300E+01 1.020500E-01 -3.850060E+00 3.721563E+00
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3.809594 1.366806E+01 -4.459476E-02 -2.925697E+00 2.916940E+00
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3.864017 1.244241E+01 -1.996776E-01 -1.895065E+00 2.149643E+00
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3.918439 1.087898E+01 -3.751971E-01 -5.881421E-01 1.395445E+00
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3.972862 8.542585E+00 -5.873422E-01 1.306386E+00 6.287508E-01
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4.027285 4.499482E+00 -8.606204E-01 4.568001E+00 -1.808830E-01
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4.081708 -3.717548E+00 -1.235814E+00 1.157721E+01 -1.074110E+00
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4.136130 -8.498658E+00 -1.787103E+00 4.781872E+00 -2.111419E+00
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4.190553 -1.177518E+01 -2.663331E+00 -2.738320E+01 -3.392693E+00
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4.244976 -2.088582E+01 -4.202194E+00 -2.055774E+01 -5.102127E+00
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4.299399 1.719560E+02 -7.311532E+00 -8.664629E+00 -7.627242E+00
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4.353821 1.598410E+02 -1.515053E+01 -6.015198E+00 -1.193619E+01
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4.408244 1.770123E+02 -4.484100E+01 -6.379855E+00 -2.095508E+01
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4.462667 2.556374E+02 -2.611552E+02 -6.745001E+00 -2.509214E+01
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4.517090 1.211300E+02 -1.014211E+02 -5.037387E+00 3.191375E+01
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4.571512 -2.362070E+02 -2.458886E+01 -1.248434E+00 1.860059E+01
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4.625935 -1.366823E+02 -1.022676E+01 -1.450797E+00 1.251711E+01
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4.680358 -9.624694E+01 -5.411862E+00 -9.429231E-01 9.289190E+00
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4.734781 -7.939031E+01 -3.233045E+00 1.467648E-01 7.248546E+00
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4.789204 -7.657749E+01 -2.047357E+00 2.245363E+00 5.790821E+00
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4.843626 -9.114260E+01 -1.306415E+00 6.850691E+00 4.647483E+00
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4.898049 -8.148915E-01 -7.805512E-01 -9.404410E+00 3.676320E+00
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4.952472 1.302681E+01 -3.515364E-01 -1.158478E+01 2.787135E+00
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5.006895 -5.387601E+00 6.098326E-02 -7.456544E+00 1.908224E+00
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5.061317 -2.013973E+01 5.394247E-01 -4.594287E+00 9.640947E-01
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5.115740 1.656219E+01 1.215850E+00 -5.957812E+00 -1.513073E-01
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5.170163 1.556389E+01 2.390111E+00 -8.520150E+00 -1.629183E+00
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5.224586 8.746013E+00 4.979906E+00 -7.484569E+00 -3.899907E+00
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5.279008 5.381415E+00 1.312757E+01 -6.505987E+00 -8.178864E+00
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5.333431 3.564433E+00 6.258304E+01 -5.892438E+00 -1.667198E+01
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5.387854 2.475434E+00 8.684082E+01 -5.496988E+00 2.227760E+01
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5.442277 1.754017E+00 1.617529E+01 -5.256199E+00 1.488980E+01
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5.496700 1.201479E+00 5.927719E+00 -5.209159E+00 9.960073E+00
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5.551122 9.042890E-01 3.030285E+00 -4.934753E+00 7.287147E+00
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5.605545 1.244534E+00 1.995676E+00 -3.423915E+00 5.173252E+00
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5.659968 9.354453E-01 2.657030E+00 -3.564711E+00 3.617974E+00
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5.714391 7.392834E-01 1.494583E+00 -3.547373E+00 8.225776E+00
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5.768813 5.942314E-01 7.383615E-01 -3.477770E+00 6.542392E+00
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5.823236 4.720873E-01 5.051753E-01 -3.392583E+00 5.598879E+00
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5.877659 3.565275E-01 3.836082E-01 -3.304306E+00 4.989082E+00
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5.932082 2.335906E-01 3.112158E-01 -3.218096E+00 4.540372E+00
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5.986504 8.621313E-02 2.714386E-01 -3.136752E+00 4.185424E+00
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6.040927 -1.136656E-01 2.654008E-01 -3.062871E+00 3.891957E+00
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6.095350 -4.249899E-01 3.237158E-01 -3.001033E+00 3.642114E+00
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6.149773 -1.004647E+00 6.291700E-01 -2.963354E+00 3.425200E+00
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6.204196 -2.347585E+00 2.988168E+00 -2.907405E+00 3.233324E+00
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6.258618 3.336822E+00 1.538163E+00 -3.098589E+00 3.051809E+00
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6.313041 3.027816E+00 4.009553E-01 -2.431621E+00 2.896769E+00
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6.367464 8.896816E-01 1.901683E-01 -1.873504E+00 2.754185E+00
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6.421887 3.606553E-01 1.141822E-01 -1.857113E+00 2.622518E+00
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6.476309 -3.770446E-01 7.448472E-02 -1.731656E+00 2.500374E+00
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6.530732 8.794068E-01 4.787931E-02 -2.344082E+00 2.386572E+00
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6.585155 3.338471E+00 2.616391E-02 -2.633523E+00 2.280195E+00
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6.639578 2.394323E+00 5.112474E-03 -2.319296E+00 2.180615E+00
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6.694000 1.954592E+00 -1.873043E-02 -2.197599E+00 2.087558E+00
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6.748423 2.043628E+00 -4.984830E-02 -2.692879E+00 2.001289E+00
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6.802846 1.569801E+00 -9.626176E-02 -2.488883E+00 1.923057E+00
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6.857269 2.374927E+00 -1.757459E-01 -2.196828E+00 1.856262E+00
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6.911691 4.213870E+00 -3.365567E-01 -2.498341E+00 1.809831E+00
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6.966114 4.209766E+00 -7.509775E-01 -2.433531E+00 1.809770E+00
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7.020537 4.777959E+00 -2.393053E+00 -2.426019E+00 1.942826E+00
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7.074960 6.609277E+00 -1.436755E+01 -2.548560E+00 1.677572E+00
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7.129383 3.216488E+00 -4.296174E+00 -2.177602E+00 -4.344215E-01
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7.183805 -3.795770E+00 8.009921E-01 -1.463921E+00 -5.687301E-01
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7.238228 -1.592210E+00 8.085976E-01 -1.629443E+00 2.265819E+00
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7.292651 -5.982706E-01 2.802161E-02 -1.679131E+00 1.704125E+00
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7.347074 -2.590970E-02 -3.512889E-02 -1.685930E+00 1.405604E+00
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7.401496 4.141554E-01 -3.100506E-02 -1.672988E+00 1.224737E+00
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7.455919 8.997012E-01 -1.897400E-02 -1.645688E+00 1.086274E+00
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7.510342 1.709532E+00 -7.208178E-03 -1.596048E+00 9.643164E-01
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7.564765 -7.003193E-01 3.453879E-03 -1.684300E+00 8.474105E-01
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7.619187 -1.004433E+00 1.348392E-02 -1.719048E+00 7.289481E-01
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7.673610 -3.149328E-01 2.361872E-02 -1.675514E+00 6.038822E-01
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7.728033 -1.540473E-01 3.473058E-02 -1.663625E+00 4.672205E-01
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7.782456 -3.510353E-01 4.793686E-02 -1.681799E+00 3.129747E-01
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7.836879 -3.426464E-01 6.486220E-02 -1.442219E+00 1.329856E-01
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7.891301 -2.225104E-01 8.815859E-02 -1.460512E+00 -8.489245E-02
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7.945724 -2.066250E-01 1.226231E-01 -1.461570E+00 -3.601340E-01
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8.000147 -3.452062E-01 1.778916E-01 -1.448859E+00 -7.264562E-01
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8.054570 -1.913682E-01 2.759076E-01 -1.482395E+00 -1.247854E+00
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8.108992 7.696245E-01 4.759326E-01 -1.646971E+00 -2.061340E+00
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