# Modelling Simul. Mater. Sci. Eng. 22 (2014) 015004 # r Distance # f(r) Electron density function # A 10.3632760643959 eV # r(Angstrom) A^2f(r) (eV^2) 5.064573E-04 1.058150E+04 1.012965E-03 1.057576E+04 1.519524E-03 1.057003E+04 2.026133E-03 1.056430E+04 2.532793E-03 1.055857E+04 3.039504E-03 1.055284E+04 3.546266E-03 1.054712E+04 4.053078E-03 1.054139E+04 4.559941E-03 1.053567E+04 5.066855E-03 1.052995E+04 5.573819E-03 1.052423E+04 6.080835E-03 1.051851E+04 6.587901E-03 1.051279E+04 7.095018E-03 1.050708E+04 7.602186E-03 1.050136E+04 8.109405E-03 1.049565E+04 8.616674E-03 1.048994E+04 9.123995E-03 1.048423E+04 9.631367E-03 1.047852E+04 1.013879E-02 1.047281E+04 1.064626E-02 1.046711E+04 1.115379E-02 1.046140E+04 1.166136E-02 1.045570E+04 1.216899E-02 1.045000E+04 1.267667E-02 1.044430E+04 1.318439E-02 1.043860E+04 1.369217E-02 1.043291E+04 1.420000E-02 1.042721E+04 1.470789E-02 1.042152E+04 1.521582E-02 1.041583E+04 1.572380E-02 1.041014E+04 1.623184E-02 1.040445E+04 1.673992E-02 1.039876E+04 1.724806E-02 1.039308E+04 1.775625E-02 1.038739E+04 1.826449E-02 1.038171E+04 1.877278E-02 1.037603E+04 1.928112E-02 1.037035E+04 1.978951E-02 1.036467E+04 2.029796E-02 1.035899E+04 2.080645E-02 1.035332E+04 2.131500E-02 1.034764E+04 2.182360E-02 1.034197E+04 2.233225E-02 1.033630E+04 2.284095E-02 1.033063E+04 2.334970E-02 1.032496E+04 2.385850E-02 1.031930E+04 2.436736E-02 1.031363E+04 2.487626E-02 1.030797E+04 2.538522E-02 1.030231E+04 2.589423E-02 1.029665E+04 2.640329E-02 1.029099E+04 2.691240E-02 1.028533E+04 2.742157E-02 1.027967E+04 2.793078E-02 1.027402E+04 2.844005E-02 1.026837E+04 2.894937E-02 1.026272E+04 2.945874E-02 1.025707E+04 2.996816E-02 1.025142E+04 3.047763E-02 1.024577E+04 3.098715E-02 1.024012E+04 3.149673E-02 1.023448E+04 3.200636E-02 1.022884E+04 3.251603E-02 1.022320E+04 3.302576E-02 1.021756E+04 3.353555E-02 1.021192E+04 3.404538E-02 1.020628E+04 3.455527E-02 1.020065E+04 3.506520E-02 1.019502E+04 3.557519E-02 1.018938E+04 3.608523E-02 1.018375E+04 3.659532E-02 1.017812E+04 3.710547E-02 1.017250E+04 3.761566E-02 1.016687E+04 3.812591E-02 1.016125E+04 3.863621E-02 1.015562E+04 3.914656E-02 1.015000E+04 3.965697E-02 1.014438E+04 4.016742E-02 1.013876E+04 4.067793E-02 1.013315E+04 4.118849E-02 1.012753E+04 4.169910E-02 1.012192E+04 4.220976E-02 1.011630E+04 4.272047E-02 1.011069E+04 4.323124E-02 1.010508E+04 4.374206E-02 1.009947E+04 4.425293E-02 1.009387E+04 4.476385E-02 1.008826E+04 4.527483E-02 1.008266E+04 4.578585E-02 1.007706E+04 4.629693E-02 1.007146E+04 4.680806E-02 1.006586E+04 4.731924E-02 1.006026E+04 4.783048E-02 1.005466E+04 4.834176E-02 1.004907E+04 4.885310E-02 1.004348E+04 4.936449E-02 1.003788E+04 4.987594E-02 1.003229E+04 5.038743E-02 1.002671E+04 5.089898E-02 1.002112E+04 5.141058E-02 1.001553E+04 5.192223E-02 1.000995E+04 5.243394E-02 1.000437E+04 5.294569E-02 9.998785E+03 5.345750E-02 9.993206E+03 5.396936E-02 9.987627E+03 5.448128E-02 9.982051E+03 5.499324E-02 9.976476E+03 5.550526E-02 9.970902E+03 5.601733E-02 9.965330E+03 5.652945E-02 9.959759E+03 5.704163E-02 9.954190E+03 5.755385E-02 9.948623E+03 5.806613E-02 9.943056E+03 5.857847E-02 9.937492E+03 5.909085E-02 9.931929E+03 5.960329E-02 9.926367E+03 6.011578E-02 9.920807E+03 6.062832E-02 9.915248E+03 6.114091E-02 9.909691E+03 6.165356E-02 9.904135E+03 6.216626E-02 9.898581E+03 6.267901E-02 9.893029E+03 6.319182E-02 9.887478E+03 6.370467E-02 9.881928E+03 6.421758E-02 9.876380E+03 6.473055E-02 9.870833E+03 6.524356E-02 9.865288E+03 6.575663E-02 9.859744E+03 6.626975E-02 9.854202E+03 6.678292E-02 9.848662E+03 6.729615E-02 9.843122E+03 6.780943E-02 9.837585E+03 6.832276E-02 9.832049E+03 6.883614E-02 9.826514E+03 6.934958E-02 9.820981E+03 6.986307E-02 9.815449E+03 7.037661E-02 9.809919E+03 7.089021E-02 9.804391E+03 7.140386E-02 9.798863E+03 7.191756E-02 9.793338E+03 7.243131E-02 9.787814E+03 7.294512E-02 9.782291E+03 7.345898E-02 9.776770E+03 7.397289E-02 9.771250E+03 7.448685E-02 9.765732E+03 7.500087E-02 9.760215E+03 7.551494E-02 9.754700E+03 7.602907E-02 9.749187E+03 7.654325E-02 9.743675E+03 7.705748E-02 9.738164E+03 7.757176E-02 9.732655E+03 7.808610E-02 9.727147E+03 7.860049E-02 9.721641E+03 7.911493E-02 9.716137E+03 7.962942E-02 9.710633E+03 8.014397E-02 9.705132E+03 8.065857E-02 9.699632E+03 8.117323E-02 9.694133E+03 8.168794E-02 9.688636E+03 8.220270E-02 9.683140E+03 8.271751E-02 9.677646E+03 8.323238E-02 9.672154E+03 8.374730E-02 9.666663E+03 8.426228E-02 9.661173E+03 8.477730E-02 9.655685E+03 8.529238E-02 9.650198E+03 8.580752E-02 9.644713E+03 8.632270E-02 9.639230E+03 8.683795E-02 9.633748E+03 8.735324E-02 9.628267E+03 8.786859E-02 9.622788E+03 8.838399E-02 9.617310E+03 8.889944E-02 9.611834E+03 8.941495E-02 9.606360E+03 8.993051E-02 9.600887E+03 9.044612E-02 9.595415E+03 9.096179E-02 9.589945E+03 9.147751E-02 9.584477E+03 9.199329E-02 9.579010E+03 9.250912E-02 9.573544E+03 9.302500E-02 9.568080E+03 9.354093E-02 9.562618E+03 9.405692E-02 9.557157E+03 9.457297E-02 9.551697E+03 9.508906E-02 9.546239E+03 9.560521E-02 9.540782E+03 9.612141E-02 9.535327E+03 9.663767E-02 9.529874E+03 9.715398E-02 9.524422E+03 9.767035E-02 9.518972E+03 9.818676E-02 9.513523E+03 9.870324E-02 9.508075E+03 9.921976E-02 9.502629E+03 9.973634E-02 9.497185E+03 1.002530E-01 9.491742E+03 1.007697E-01 9.486300E+03 1.012864E-01 9.480860E+03 1.018032E-01 9.475422E+03 1.023200E-01 9.469985E+03 1.028369E-01 9.464549E+03 1.033539E-01 9.459116E+03 1.038709E-01 9.453683E+03 1.043880E-01 9.448252E+03 1.049051E-01 9.442823E+03 1.054223E-01 9.437395E+03 1.059395E-01 9.431968E+03 1.064568E-01 9.426544E+03 1.069741E-01 9.421120E+03 1.074915E-01 9.415698E+03 1.080089E-01 9.410278E+03 1.085264E-01 9.404859E+03 1.090440E-01 9.399442E+03 1.095616E-01 9.394026E+03 1.100792E-01 9.388611E+03 1.105969E-01 9.383199E+03 1.111147E-01 9.377787E+03 1.116325E-01 9.372377E+03 1.121504E-01 9.366969E+03 1.126683E-01 9.361562E+03 1.131863E-01 9.356157E+03 1.137044E-01 9.350753E+03 1.142224E-01 9.345351E+03 1.147406E-01 9.339950E+03 1.152588E-01 9.334551E+03 1.157770E-01 9.329153E+03 1.162953E-01 9.323757E+03 1.168137E-01 9.318362E+03 1.173321E-01 9.312969E+03 1.178506E-01 9.307577E+03 1.183691E-01 9.302187E+03 1.188877E-01 9.296798E+03 1.194063E-01 9.291411E+03 1.199250E-01 9.286025E+03 1.204438E-01 9.280641E+03 1.209626E-01 9.275258E+03 1.214814E-01 9.269877E+03 1.220003E-01 9.264498E+03 1.225193E-01 9.259119E+03 1.230383E-01 9.253743E+03 1.235574E-01 9.248368E+03 1.240765E-01 9.242994E+03 1.245957E-01 9.237622E+03 1.251149E-01 9.232251E+03 1.256342E-01 9.226882E+03 1.261535E-01 9.221515E+03 1.266729E-01 9.216148E+03 1.271924E-01 9.210784E+03 1.277119E-01 9.205421E+03 1.282314E-01 9.200059E+03 1.287511E-01 9.194699E+03 1.292707E-01 9.189341E+03 1.297905E-01 9.183984E+03 1.303102E-01 9.178628E+03 1.308301E-01 9.173274E+03 1.313500E-01 9.167922E+03 1.318699E-01 9.162571E+03 1.323899E-01 9.157221E+03 1.329100E-01 9.151873E+03 1.334301E-01 9.146527E+03 1.339502E-01 9.141182E+03 1.344704E-01 9.135838E+03 1.349907E-01 9.130496E+03 1.355111E-01 9.125156E+03 1.360314E-01 9.119817E+03 1.365519E-01 9.114480E+03 1.370724E-01 9.109144E+03 1.375929E-01 9.103809E+03 1.381135E-01 9.098476E+03 1.386342E-01 9.093145E+03 1.391549E-01 9.087815E+03 1.396757E-01 9.082487E+03 1.401965E-01 9.077160E+03 1.407174E-01 9.071835E+03 1.412383E-01 9.066511E+03 1.417593E-01 9.061189E+03 1.422803E-01 9.055868E+03 1.428014E-01 9.050549E+03 1.433226E-01 9.045231E+03 1.438438E-01 9.039915E+03 1.443650E-01 9.034600E+03 1.448864E-01 9.029287E+03 1.454077E-01 9.023975E+03 1.459292E-01 9.018665E+03 1.464507E-01 9.013356E+03 1.469722E-01 9.008049E+03 1.474938E-01 9.002743E+03 1.480154E-01 8.997439E+03 1.485372E-01 8.992136E+03 1.490589E-01 8.986835E+03 1.495807E-01 8.981536E+03 1.501026E-01 8.976238E+03 1.506245E-01 8.970941E+03 1.511465E-01 8.965646E+03 1.516686E-01 8.960352E+03 1.521907E-01 8.955060E+03 1.527128E-01 8.949770E+03 1.532350E-01 8.944481E+03 1.537573E-01 8.939193E+03 1.542796E-01 8.933907E+03 1.548020E-01 8.928623E+03 1.553244E-01 8.923340E+03 1.558469E-01 8.918058E+03 1.563694E-01 8.912779E+03 1.568920E-01 8.907500E+03 1.574147E-01 8.902223E+03 1.579374E-01 8.896948E+03 1.584601E-01 8.891674E+03 1.589829E-01 8.886402E+03 1.595058E-01 8.881131E+03 1.600287E-01 8.875861E+03 1.605517E-01 8.870594E+03 1.610748E-01 8.865327E+03 1.615979E-01 8.860062E+03 1.621210E-01 8.854799E+03 1.626442E-01 8.849537E+03 1.631675E-01 8.844277E+03 1.636908E-01 8.839018E+03 1.642142E-01 8.833761E+03 1.647376E-01 8.828505E+03 1.652611E-01 8.823251E+03 1.657847E-01 8.817999E+03 1.663083E-01 8.812747E+03 1.668319E-01 8.807498E+03 1.673556E-01 8.802250E+03 1.678794E-01 8.797003E+03 1.684032E-01 8.791758E+03 1.689271E-01 8.786514E+03 1.694510E-01 8.781272E+03 1.699750E-01 8.776032E+03 1.704991E-01 8.770793E+03 1.710232E-01 8.765555E+03 1.715473E-01 8.760319E+03 1.720715E-01 8.755085E+03 1.725958E-01 8.749852E+03 1.731201E-01 8.744620E+03 1.736445E-01 8.739390E+03 1.741690E-01 8.734162E+03 1.746935E-01 8.728935E+03 1.752180E-01 8.723710E+03 1.757426E-01 8.718486E+03 1.762673E-01 8.713263E+03 1.767920E-01 8.708043E+03 1.773168E-01 8.702823E+03 1.778416E-01 8.697605E+03 1.783665E-01 8.692389E+03 1.788915E-01 8.687174E+03 1.794165E-01 8.681961E+03 1.799415E-01 8.676749E+03 1.804667E-01 8.671539E+03 1.809918E-01 8.666330E+03 1.815171E-01 8.661123E+03 1.820423E-01 8.655918E+03 1.825677E-01 8.650713E+03 1.830931E-01 8.645511E+03 1.836185E-01 8.640310E+03 1.841441E-01 8.635110E+03 1.846696E-01 8.629912E+03 1.851953E-01 8.624715E+03 1.857209E-01 8.619520E+03 1.862467E-01 8.614327E+03 1.867725E-01 8.609135E+03 1.872983E-01 8.603944E+03 1.878242E-01 8.598755E+03 1.883502E-01 8.593568E+03 1.888762E-01 8.588382E+03 1.894023E-01 8.583198E+03 1.899284E-01 8.578015E+03 1.904546E-01 8.572833E+03 1.909809E-01 8.567653E+03 1.915072E-01 8.562475E+03 1.920336E-01 8.557298E+03 1.925600E-01 8.552123E+03 1.930865E-01 8.546949E+03 1.936130E-01 8.541777E+03 1.941396E-01 8.536606E+03 1.946662E-01 8.531437E+03 1.951929E-01 8.526269E+03 1.957197E-01 8.521103E+03 1.962465E-01 8.515938E+03 1.967734E-01 8.510775E+03 1.973003E-01 8.505614E+03 1.978273E-01 8.500453E+03 1.983544E-01 8.495295E+03 1.988815E-01 8.490138E+03 1.994086E-01 8.484982E+03 1.999358E-01 8.479828E+03 2.004631E-01 8.474676E+03 2.009905E-01 8.469525E+03 2.015178E-01 8.464375E+03 2.020453E-01 8.459227E+03 2.025728E-01 8.454081E+03 2.031004E-01 8.448936E+03 2.036280E-01 8.443793E+03 2.041557E-01 8.438651E+03 2.046834E-01 8.433510E+03 2.052112E-01 8.428372E+03 2.057390E-01 8.423234E+03 2.062669E-01 8.418098E+03 2.067949E-01 8.412964E+03 2.073229E-01 8.407832E+03 2.078510E-01 8.402700E+03 2.083791E-01 8.397571E+03 2.089073E-01 8.392442E+03 2.094356E-01 8.387316E+03 2.099639E-01 8.382191E+03 2.104923E-01 8.377067E+03 2.110207E-01 8.371945E+03 2.115492E-01 8.366824E+03 2.120777E-01 8.361705E+03 2.126063E-01 8.356588E+03 2.131349E-01 8.351472E+03 2.136637E-01 8.346357E+03 2.141924E-01 8.341244E+03 2.147212E-01 8.336133E+03 2.152501E-01 8.331023E+03 2.157791E-01 8.325915E+03 2.163081E-01 8.320808E+03 2.168371E-01 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