EO-LiPF6 MDbox  4a2b4c unitcells SG P 21added MH-sadded MH-sadded MH-sadded MH- 
        28       300
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  1.492500E+01  9.280338E-01
  1.497500E+01  9.299297E-01
C       MH      
  2.500000E-02  0.000000E+00
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  1.250000E-01  0.000000E+00
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  1.487500E+01  1.051092E+00
  1.492500E+01  1.051656E+00
  1.497500E+01  1.052201E+00
C       Li      
  2.500000E-02  0.000000E+00
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  1.250000E-01  0.000000E+00
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  1.487500E+01  9.551780E-01
  1.492500E+01  9.608946E-01
  1.497500E+01  9.604463E-01
H       H       
  2.500000E-02  0.000000E+00
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  1.250000E-01  0.000000E+00
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  1.497500E+01  9.995503E-01
H       P       
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  1.250000E-01  0.000000E+00
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  9.025000E+00  9.352009E-01
  9.075000E+00  9.254693E-01
  9.125000E+00  9.260912E-01
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  9.225000E+00  9.429627E-01
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  9.375000E+00  9.663763E-01
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  9.475000E+00  9.881515E-01
  9.525000E+00  9.960572E-01
  9.575000E+00  1.005413E+00
  9.625000E+00  1.017702E+00
  9.675000E+00  1.038635E+00
  9.725000E+00  1.041678E+00
  9.775000E+00  1.064947E+00
  9.825000E+00  1.082601E+00
  9.875000E+00  1.105961E+00
  9.925000E+00  1.121957E+00
  9.975000E+00  1.140780E+00
  1.002500E+01  1.156770E+00
  1.007500E+01  1.174309E+00
  1.012500E+01  1.185574E+00
  1.017500E+01  1.203799E+00
  1.022500E+01  1.224069E+00
  1.027500E+01  1.235806E+00
  1.032500E+01  1.244428E+00
  1.037500E+01  1.262084E+00
  1.042500E+01  1.278519E+00
  1.047500E+01  1.283033E+00
  1.052500E+01  1.293828E+00
  1.057500E+01  1.300094E+00
  1.062500E+01  1.314776E+00
  1.067500E+01  1.308202E+00
  1.072500E+01  1.315566E+00
  1.077500E+01  1.316682E+00
  1.082500E+01  1.329098E+00
  1.087500E+01  1.340625E+00
  1.092500E+01  1.330981E+00
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  1.102500E+01  1.323964E+00
  1.107500E+01  1.322231E+00
  1.112500E+01  1.325396E+00
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  1.122500E+01  1.317569E+00
  1.127500E+01  1.303822E+00
  1.132500E+01  1.291930E+00
  1.137500E+01  1.293331E+00
  1.142500E+01  1.273510E+00
  1.147500E+01  1.253174E+00
  1.152500E+01  1.242789E+00
  1.157500E+01  1.223570E+00
  1.162500E+01  1.208342E+00
  1.167500E+01  1.194267E+00
  1.172500E+01  1.170608E+00
  1.177500E+01  1.159362E+00
  1.182500E+01  1.137785E+00
  1.187500E+01  1.126751E+00
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  1.232500E+01  1.010287E+00
  1.237500E+01  1.000463E+00
  1.242500E+01  9.945630E-01
  1.247500E+01  9.882297E-01
  1.252500E+01  9.880309E-01
  1.257500E+01  9.848842E-01
  1.262500E+01  9.901208E-01
  1.267500E+01  9.798175E-01
  1.272500E+01  9.849250E-01
  1.277500E+01  9.806785E-01
  1.282500E+01  9.820398E-01
  1.287500E+01  9.836636E-01
  1.292500E+01  9.779411E-01
  1.297500E+01  9.753451E-01
  1.302500E+01  9.742491E-01
  1.307500E+01  9.746928E-01
  1.312500E+01  9.750771E-01
  1.317500E+01  9.778852E-01
  1.322500E+01  9.719653E-01
  1.327500E+01  9.775583E-01
  1.332500E+01  9.804635E-01
  1.337500E+01  9.823801E-01
  1.342500E+01  9.811419E-01
  1.347500E+01  9.848802E-01
  1.352500E+01  9.856903E-01
  1.357500E+01  9.893251E-01
  1.362500E+01  9.899620E-01
  1.367500E+01  9.854077E-01
  1.372500E+01  9.877025E-01
  1.377500E+01  9.924527E-01
  1.382500E+01  9.796773E-01
  1.387500E+01  9.767043E-01
  1.392500E+01  9.760935E-01
  1.397500E+01  9.746760E-01
  1.402500E+01  9.710065E-01
  1.407500E+01  9.608330E-01
  1.412500E+01  9.620332E-01
  1.417500E+01  9.497617E-01
  1.422500E+01  9.403225E-01
  1.427500E+01  9.323902E-01
  1.432500E+01  9.165986E-01
  1.437500E+01  9.130858E-01
  1.442500E+01  9.033339E-01
  1.447500E+01  8.893077E-01
  1.452500E+01  8.827699E-01
  1.457500E+01  8.756798E-01
  1.462500E+01  8.580235E-01
  1.467500E+01  8.549757E-01
  1.472500E+01  8.449399E-01
  1.477500E+01  8.356244E-01
  1.482500E+01  8.316703E-01
  1.487500E+01  8.296277E-01
  1.492500E+01  8.246454E-01
  1.497500E+01  8.140162E-01
MH      MH      
  2.500000E-02  0.000000E+00
  7.500000E-02  0.000000E+00
  1.250000E-01  0.000000E+00
  1.750000E-01  0.000000E+00
  2.250000E-01  0.000000E+00
  2.750000E-01  0.000000E+00
  3.250000E-01  0.000000E+00
  3.750000E-01  0.000000E+00
  4.250000E-01  0.000000E+00
  4.750000E-01  0.000000E+00
  5.250000E-01  0.000000E+00
  5.750000E-01  0.000000E+00
  6.250000E-01  0.000000E+00
  6.750000E-01  0.000000E+00
  7.250000E-01  0.000000E+00
  7.750000E-01  0.000000E+00
  8.250000E-01  0.000000E+00
  8.750000E-01  0.000000E+00
  9.250000E-01  0.000000E+00
  9.750000E-01  0.000000E+00
  1.025000E+00  0.000000E+00
  1.075000E+00  0.000000E+00
  1.125000E+00  0.000000E+00
  1.175000E+00  0.000000E+00
  1.225000E+00  0.000000E+00
  1.275000E+00  0.000000E+00
  1.325000E+00  0.000000E+00
  1.375000E+00  0.000000E+00
  1.425000E+00  0.000000E+00
  1.475000E+00  0.000000E+00
  1.525000E+00  0.000000E+00
  1.575000E+00  0.000000E+00
  1.625000E+00  0.000000E+00
  1.675000E+00  0.000000E+00
  1.725000E+00  1.000827E-02
  1.775000E+00  2.126790E-02
  1.825000E+00  1.095344E-01
  1.875000E+00  2.181305E-01
  1.925000E+00  4.339856E-01
  1.975000E+00  7.024216E-01
  2.025000E+00  1.040375E+00
  2.075000E+00  1.414502E+00
  2.125000E+00  1.899425E+00
  2.175000E+00  2.260082E+00
  2.225000E+00  2.532627E+00
  2.275000E+00  2.763469E+00
  2.325000E+00  2.808420E+00
  2.375000E+00  3.041212E+00
  2.425000E+00  3.090554E+00
  2.475000E+00  3.128606E+00
  2.525000E+00  3.210297E+00
  2.575000E+00  3.165442E+00
  2.625000E+00  2.989819E+00
  2.675000E+00  3.152752E+00
  2.725000E+00  2.968935E+00
  2.775000E+00  2.862913E+00
  2.825000E+00  2.836174E+00
  2.875000E+00  2.726674E+00
  2.925000E+00  2.615978E+00
  2.975000E+00  2.607023E+00
  3.025000E+00  2.579325E+00
  3.075000E+00  2.534712E+00
  3.125000E+00  2.378009E+00
  3.175000E+00  2.314782E+00
  3.225000E+00  2.275062E+00
  3.275000E+00  2.236670E+00
  3.325000E+00  2.210317E+00
  3.375000E+00  2.216561E+00
  3.425000E+00  2.265932E+00
  3.475000E+00  2.299848E+00
  3.525000E+00  2.356109E+00
  3.575000E+00  2.657103E+00
  3.625000E+00  2.674968E+00
  3.675000E+00  2.870055E+00
  3.725000E+00  3.080068E+00
  3.775000E+00  3.112396E+00
  3.825000E+00  3.224435E+00
  3.875000E+00  3.339609E+00
  3.925000E+00  3.226068E+00
  3.975000E+00  3.076151E+00
  4.025000E+00  2.975383E+00
  4.075000E+00  2.925235E+00
  4.125000E+00  2.826746E+00
  4.175000E+00  2.693236E+00
  4.225000E+00  2.572308E+00
  4.275000E+00  2.390674E+00
  4.325000E+00  2.266459E+00
  4.375000E+00  2.193945E+00
  4.425000E+00  2.142363E+00
  4.475000E+00  2.069846E+00
  4.525000E+00  1.905085E+00
  4.575000E+00  1.841260E+00
  4.625000E+00  1.832992E+00
  4.675000E+00  1.769125E+00
  4.725000E+00  1.728213E+00
  4.775000E+00  1.653023E+00
  4.825000E+00  1.625658E+00
  4.875000E+00  1.628511E+00
  4.925000E+00  1.574125E+00
  4.975000E+00  1.552872E+00
  5.025000E+00  1.545713E+00
  5.075000E+00  1.597796E+00
  5.125000E+00  1.603340E+00
  5.175000E+00  1.633673E+00
  5.225000E+00  1.648920E+00
  5.275000E+00  1.653933E+00
  5.325000E+00  1.656893E+00
  5.375000E+00  1.682909E+00
  5.425000E+00  1.674041E+00
  5.475000E+00  1.658011E+00
  5.525000E+00  1.576916E+00
  5.575000E+00  1.551392E+00
  5.625000E+00  1.500638E+00
  5.675000E+00  1.410734E+00
  5.725000E+00  1.359394E+00
  5.775000E+00  1.293538E+00
  5.825000E+00  1.237633E+00
  5.875000E+00  1.208676E+00
  5.925000E+00  1.212965E+00
  5.975000E+00  1.160840E+00
  6.025000E+00  1.140627E+00
  6.075000E+00  1.098324E+00
  6.125000E+00  1.089794E+00
  6.175000E+00  1.088229E+00
  6.225000E+00  1.050258E+00
  6.275000E+00  1.011842E+00
  6.325000E+00  1.069424E+00
  6.375000E+00  1.015889E+00
  6.425000E+00  1.032245E+00
  6.475000E+00  1.027375E+00
  6.525000E+00  9.796872E-01
  6.575000E+00  9.913674E-01
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  6.725000E+00  9.247521E-01
  6.775000E+00  8.874699E-01
  6.825000E+00  8.754734E-01
  6.875000E+00  8.645184E-01
  6.925000E+00  8.023956E-01
  6.975000E+00  7.982791E-01
  7.025000E+00  7.789599E-01
  7.075000E+00  7.605514E-01
  7.125000E+00  7.314343E-01
  7.175000E+00  6.942296E-01
  7.225000E+00  6.638293E-01
  7.275000E+00  6.544545E-01
  7.325000E+00  6.572071E-01
  7.375000E+00  6.353212E-01
  7.425000E+00  6.136931E-01
  7.475000E+00  6.148385E-01
  7.525000E+00  5.767153E-01
  7.575000E+00  5.845685E-01
  7.625000E+00  5.765430E-01
  7.675000E+00  5.573003E-01
  7.725000E+00  5.567222E-01
  7.775000E+00  5.285228E-01
  7.825000E+00  5.406382E-01
  7.875000E+00  5.286321E-01
  7.925000E+00  5.371574E-01
  7.975000E+00  5.185019E-01
  8.025000E+00  5.193447E-01
  8.075000E+00  5.147602E-01
  8.125000E+00  5.286330E-01
  8.175000E+00  5.270885E-01
  8.225000E+00  5.171777E-01
  8.275000E+00  5.124690E-01
  8.325000E+00  5.178270E-01
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  9.625000E+00  5.621221E-01
  9.675000E+00  5.581566E-01
  9.725000E+00  5.778610E-01
  9.775000E+00  5.707956E-01
  9.825000E+00  5.824329E-01
  9.875000E+00  5.773897E-01
  9.925000E+00  5.920708E-01
  9.975000E+00  5.832317E-01
  1.002500E+01  5.912085E-01
  1.007500E+01  6.006124E-01
  1.012500E+01  5.969466E-01
  1.017500E+01  6.061251E-01
  1.022500E+01  6.190841E-01
  1.027500E+01  6.108168E-01
  1.032500E+01  6.092456E-01
  1.037500E+01  6.131407E-01
  1.042500E+01  6.139874E-01
  1.047500E+01  6.289044E-01
  1.052500E+01  6.262367E-01
  1.057500E+01  6.205952E-01
  1.062500E+01  6.341589E-01
  1.067500E+01  6.517542E-01
  1.072500E+01  6.407071E-01
  1.077500E+01  6.540141E-01
  1.082500E+01  6.559290E-01
  1.087500E+01  6.745907E-01
  1.092500E+01  6.852110E-01
  1.097500E+01  6.809600E-01
  1.102500E+01  7.028528E-01
  1.107500E+01  7.071441E-01
  1.112500E+01  7.066375E-01
  1.117500E+01  7.192287E-01
  1.122500E+01  7.345226E-01
  1.127500E+01  7.395021E-01
  1.132500E+01  7.643358E-01
  1.137500E+01  7.553869E-01
  1.142500E+01  7.659593E-01
  1.147500E+01  7.754144E-01
  1.152500E+01  7.877601E-01
  1.157500E+01  7.912501E-01
  1.162500E+01  8.044582E-01
  1.167500E+01  8.091631E-01
  1.172500E+01  8.246990E-01
  1.177500E+01  8.224895E-01
  1.182500E+01  8.362089E-01
  1.187500E+01  8.524671E-01
  1.192500E+01  8.437104E-01
  1.197500E+01  8.516332E-01
  1.202500E+01  8.583140E-01
  1.207500E+01  8.616381E-01
  1.212500E+01  8.882259E-01
  1.217500E+01  8.797398E-01
  1.222500E+01  8.972694E-01
  1.227500E+01  9.047992E-01
  1.232500E+01  9.336953E-01
  1.237500E+01  9.404599E-01
  1.242500E+01  9.247553E-01
  1.247500E+01  9.414227E-01
  1.252500E+01  9.499162E-01
  1.257500E+01  9.762320E-01
  1.262500E+01  9.684681E-01
  1.267500E+01  9.718727E-01
  1.272500E+01  9.888048E-01
  1.277500E+01  9.993291E-01
  1.282500E+01  1.002009E+00
  1.287500E+01  1.009379E+00
  1.292500E+01  1.013574E+00
  1.297500E+01  1.019178E+00
  1.302500E+01  1.028309E+00
  1.307500E+01  1.019284E+00
  1.312500E+01  1.006908E+00
  1.317500E+01  1.021113E+00
  1.322500E+01  1.012513E+00
  1.327500E+01  1.031603E+00
  1.332500E+01  1.023666E+00
  1.337500E+01  1.024059E+00
  1.342500E+01  1.010125E+00
  1.347500E+01  1.012402E+00
  1.352500E+01  1.003546E+00
  1.357500E+01  1.006066E+00
  1.362500E+01  9.983350E-01
  1.367500E+01  1.000245E+00
  1.372500E+01  9.967653E-01
  1.377500E+01  9.905626E-01
  1.382500E+01  9.885918E-01
  1.387500E+01  9.787336E-01
  1.392500E+01  9.837365E-01
  1.397500E+01  9.830003E-01
  1.402500E+01  9.855807E-01
  1.407500E+01  9.753210E-01
  1.412500E+01  9.674580E-01
  1.417500E+01  9.670556E-01
  1.422500E+01  9.584295E-01
  1.427500E+01  9.686447E-01
  1.432500E+01  9.565608E-01
  1.437500E+01  9.632860E-01
  1.442500E+01  9.447040E-01
  1.447500E+01  9.431639E-01
  1.452500E+01  9.549276E-01
  1.457500E+01  9.536796E-01
  1.462500E+01  9.489800E-01
  1.467500E+01  9.571493E-01
  1.472500E+01  9.544032E-01
  1.477500E+01  9.427019E-01
  1.482500E+01  9.521409E-01
  1.487500E+01  9.419146E-01
  1.492500E+01  9.413634E-01
  1.497500E+01  9.433551E-01
MH      P       
  2.500000E-02  0.000000E+00
  7.500000E-02  0.000000E+00
  1.250000E-01  0.000000E+00
  1.750000E-01  0.000000E+00
  2.250000E-01  0.000000E+00
  2.750000E-01  0.000000E+00
  3.250000E-01  0.000000E+00
  3.750000E-01  0.000000E+00
  4.250000E-01  0.000000E+00
  4.750000E-01  0.000000E+00
  5.250000E-01  0.000000E+00
  5.750000E-01  0.000000E+00
  6.250000E-01  0.000000E+00
  6.750000E-01  0.000000E+00
  7.250000E-01  0.000000E+00
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  7.025000E+00  8.716476E-01
  7.075000E+00  8.798656E-01
  7.125000E+00  8.953425E-01
  7.175000E+00  9.039796E-01
  7.225000E+00  9.139058E-01
  7.275000E+00  9.223609E-01
  7.325000E+00  9.364904E-01
  7.375000E+00  9.475730E-01
  7.425000E+00  9.656298E-01
  7.475000E+00  9.689298E-01
  7.525000E+00  9.793185E-01
  7.575000E+00  9.740881E-01
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  7.675000E+00  9.895381E-01
  7.725000E+00  9.913034E-01
  7.775000E+00  1.004851E+00
  7.825000E+00  9.895523E-01
  7.875000E+00  9.874587E-01
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  7.975000E+00  1.000428E+00
  8.025000E+00  9.922496E-01
  8.075000E+00  9.951084E-01
  8.125000E+00  1.007091E+00
  8.175000E+00  1.010390E+00
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  8.275000E+00  1.025201E+00
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  9.425000E+00  1.132602E+00
  9.475000E+00  1.122697E+00
  9.525000E+00  1.119418E+00
  9.575000E+00  1.117355E+00
  9.625000E+00  1.112639E+00
  9.675000E+00  1.103552E+00
  9.725000E+00  1.099623E+00
  9.775000E+00  1.084099E+00
  9.825000E+00  1.071189E+00
  9.875000E+00  1.067622E+00
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  9.975000E+00  1.050865E+00
  1.002500E+01  1.047754E+00
  1.007500E+01  1.039869E+00
  1.012500E+01  1.030938E+00
  1.017500E+01  1.032163E+00
  1.022500E+01  1.029060E+00
  1.027500E+01  1.037067E+00
  1.032500E+01  1.030444E+00
  1.037500E+01  1.033990E+00
  1.042500E+01  1.041761E+00
  1.047500E+01  1.040229E+00
  1.052500E+01  1.044077E+00
  1.057500E+01  1.036624E+00
  1.062500E+01  1.049267E+00
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  1.077500E+01  1.055420E+00
  1.082500E+01  1.065441E+00
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  1.097500E+01  1.079742E+00
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  1.107500E+01  1.092791E+00
  1.112500E+01  1.102063E+00
  1.117500E+01  1.107844E+00
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  1.127500E+01  1.121276E+00
  1.132500E+01  1.134518E+00
  1.137500E+01  1.145520E+00
  1.142500E+01  1.150729E+00
  1.147500E+01  1.151029E+00
  1.152500E+01  1.161275E+00
  1.157500E+01  1.174916E+00
  1.162500E+01  1.175008E+00
  1.167500E+01  1.180120E+00
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  1.177500E+01  1.197358E+00
  1.182500E+01  1.197842E+00
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  1.242500E+01  1.230614E+00
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  1.252500E+01  1.229139E+00
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  1.277500E+01  1.199242E+00
  1.282500E+01  1.189210E+00
  1.287500E+01  1.178400E+00
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  1.297500E+01  1.160781E+00
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  1.307500E+01  1.138849E+00
  1.312500E+01  1.126262E+00
  1.317500E+01  1.111973E+00
  1.322500E+01  1.096023E+00
  1.327500E+01  1.079118E+00
  1.332500E+01  1.071920E+00
  1.337500E+01  1.045383E+00
  1.342500E+01  1.031015E+00
  1.347500E+01  1.012581E+00
  1.352500E+01  1.001939E+00
  1.357500E+01  9.930033E-01
  1.362500E+01  9.717886E-01
  1.367500E+01  9.575135E-01
  1.372500E+01  9.508701E-01
  1.377500E+01  9.336033E-01
  1.382500E+01  9.192116E-01
  1.387500E+01  9.050683E-01
  1.392500E+01  8.974079E-01
  1.397500E+01  8.851559E-01
  1.402500E+01  8.711576E-01
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  1.417500E+01  8.389749E-01
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  1.447500E+01  7.718934E-01
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  1.487500E+01  7.114411E-01
  1.492500E+01  7.110987E-01
  1.497500E+01  7.093682E-01
P       Li      
  2.500000E-02  0.000000E+00
  7.500000E-02  0.000000E+00
  1.250000E-01  0.000000E+00
  1.750000E-01  0.000000E+00
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  6.250000E-01  0.000000E+00
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  7.750000E-01  0.000000E+00
  8.250000E-01  0.000000E+00
  8.750000E-01  0.000000E+00
  9.250000E-01  0.000000E+00
  9.750000E-01  0.000000E+00
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  2.825000E+00  1.266079E-02
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  3.075000E+00  2.137171E-02
  3.125000E+00  3.190217E-02
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  3.675000E+00  6.066236E-01
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  3.775000E+00  1.819861E-01
  3.825000E+00  1.001401E-01
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  3.975000E+00  2.557933E-02
  4.025000E+00  1.975032E-02
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  5.075000E+00  1.046170E-01
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  6.025000E+00  2.326317E+00
  6.075000E+00  2.446294E+00
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  1.152500E+01  5.823335E-01
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  1.172500E+01  5.508154E-01
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  1.182500E+01  5.319038E-01
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F       Li      
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  1.492500E+01  8.476945E-01
  1.497500E+01  8.159646E-01
