# # RuAl EAM potential from # # from # # "Dislocation Generation and Crack Propagation in Metals # Examined in Molecular Dynamics Simulations", # J. A. Rifkin, C. S. Becquart, D. Kim, P. C. Clapp, # MRS Symp. Proc. "Computational Methods in Materials Science", # Vol 278, Page 173, 1992 # # Al - from Voter and Chen # # Ru - fit to # hcp structure, a=2.71 angs, c=4.29 angs. # # Fit results # # Property Error # -------------------------------------- # Ecoh 10.806e-12 erg/atom +0.06% # C11 5.07 Mbar -9.82% # C12 1.93 Mbar +3.01% # C13 1.93 Mbar +15.19% # C33 6.42 Mbar +2.66% # C44 1.52 Mbar -15.57 # B 3.13 -2.38% # # RuAl - fit to # B2 lattice (a=3.03 ang) # C11 2.57 Mbar # C12 1.17 Mbar # C44 1.23 Mbar # NO experimental cohesive energy was available # a value of 11e-12 erg/atom was used. # # # Value in units of Kelvin # Multiply by Kb = 1.38e-16 to get ergs # # potential set eam 2 eunit k POTENTIAL PAIR 1 1 201 0.000000E+00 4.600000E+00 1.266544E+08 1.171873E+08 1.084175E+08 1.002944E+08 9.277087E+07 8.580313E+07 7.935069E+07 7.337584E+07 6.784366E+07 6.272181E+07 5.798022E+07 5.359103E+07 4.952839E+07 4.576835E+07 4.228867E+07 3.906873E+07 3.608942E+07 3.333302E+07 3.078308E+07 2.842439E+07 2.624280E+07 2.422524E+07 2.235955E+07 2.063449E+07 1.903962E+07 1.756530E+07 1.620255E+07 1.494308E+07 1.377920E+07 1.270379E+07 1.171023E+07 1.079242E+07 9.944685E+06 9.161783E+06 8.438856E+06 7.771389E+06 7.155225E+06 6.586498E+06 6.061635E+06 5.577326E+06 5.130507E+06 4.718340E+06 4.338201E+06 3.987661E+06 3.664468E+06 3.366544E+06 3.091960E+06 2.838937E+06 2.605826E+06 2.391102E+06 2.193355E+06 2.011280E+06 1.843672E+06 1.689414E+06 1.547476E+06 1.416905E+06 1.296818E+06 1.186404E+06 1.084906E+06 9.916313E+05 9.059373E+05 8.272293E+05 7.549598E+05 6.886212E+05 6.277469E+05 5.719047E+05 5.206962E+05 4.737533E+05 4.307364E+05 3.913321E+05 3.552512E+05 3.222271E+05 2.920137E+05 2.643840E+05 2.391290E+05 2.160557E+05 1.949864E+05 1.757572E+05 1.582173E+05 1.422276E+05 1.276599E+05 1.143966E+05 1.023287E+05 9.135665E+04 8.138832E+04 7.233921E+04 6.413143E+04 5.669345E+04 4.995951E+04 4.386914E+04 3.836679E+04 3.340145E+04 2.892624E+04 2.489815E+04 2.127771E+04 1.802869E+04 1.511787E+04 1.251481E+04 1.019158E+04 8.122607E+03 6.284483E+03 4.655759E+03 3.216820E+03 1.949724E+03 8.380665E+02 -1.331418E+02 -9.775912E+02 -1.707780E+03 -2.335109E+03 -2.869975E+03 -3.321852E+03 -3.699368E+03 -4.010375E+03 -4.262015E+03 -4.460775E+03 -4.612550E+03 -4.722688E+03 -4.796032E+03 -4.836976E+03 -4.849488E+03 -4.837158E+03 -4.803227E+03 -4.750617E+03 -4.681959E+03 -4.599618E+03 -4.505719E+03 -4.402166E+03 -4.290663E+03 -4.172732E+03 -4.049728E+03 -3.922858E+03 -3.793190E+03 -3.661671E+03 -3.529133E+03 -3.396309E+03 -3.263839E+03 -3.132280E+03 -3.002114E+03 -2.873758E+03 -2.747567E+03 -2.623841E+03 -2.502831E+03 -2.384747E+03 -2.269757E+03 -2.157997E+03 -2.049569E+03 -1.944550E+03 -1.842992E+03 -1.744926E+03 -1.650363E+03 -1.559298E+03 -1.471713E+03 -1.387576E+03 -1.306844E+03 -1.229467E+03 -1.155384E+03 -1.084531E+03 -1.016836E+03 -9.522238E+02 -8.906138E+02 -8.319265E+02 -7.760756E+02 -7.229772E+02 -6.725446E+02 -6.246914E+02 -5.793308E+02 -5.363767E+02 -4.957439E+02 -4.573476E+02 -4.211050E+02 -3.869341E+02 -3.547549E+02 -3.244890E+02 -2.960598E+02 -2.693929E+02 -2.444161E+02 -2.210582E+02 -1.992519E+02 -1.789301E+02 -1.600298E+02 -1.424882E+02 -1.262468E+02 -1.112472E+02 -9.743463E+01 -8.475535E+01 -7.315854E+01 -6.259466E+01 -5.301682E+01 -4.437933E+01 -3.663909E+01 -2.975417E+01 -2.368503E+01 -1.839327E+01 -1.384268E+01 -9.998204E+00 -6.826722E+00 -4.296311E+00 -2.376742E+00 -1.038993E+00 -2.555242E-01 0.000000E+00 POTENTIAL DENS 1 201 0.000000E+00 4.600000E+00 1.037224E+02 9.970670E+01 9.584616E+01 9.213481E+01 8.856689E+01 8.513686E+01 8.183938E+01 7.866935E+01 7.562183E+01 7.269208E+01 6.987556E+01 6.716790E+01 6.456488E+01 6.206246E+01 5.965676E+01 5.734404E+01 5.512070E+01 5.298329E+01 5.092849E+01 4.895311E+01 4.705409E+01 4.522846E+01 4.347339E+01 4.178616E+01 4.016415E+01 3.860483E+01 3.710579E+01 3.566469E+01 3.427929E+01 3.294745E+01 3.166709E+01 3.043623E+01 2.925295E+01 2.811542E+01 2.702186E+01 2.597057E+01 2.495993E+01 2.398837E+01 2.305437E+01 2.215648E+01 2.129331E+01 2.046351E+01 1.966580E+01 1.889894E+01 1.816173E+01 1.745303E+01 1.677174E+01 1.611680E+01 1.548719E+01 1.488193E+01 1.430009E+01 1.374075E+01 1.320305E+01 1.268615E+01 1.218925E+01 1.171158E+01 1.125239E+01 1.081096E+01 1.038663E+01 9.978710E+00 9.586584E+00 9.209636E+00 8.847282E+00 8.498956E+00 8.164116E+00 7.842243E+00 7.532835E+00 7.235412E+00 6.949509E+00 6.674683E+00 6.410506E+00 6.156565E+00 5.912467E+00 5.677831E+00 5.452292E+00 5.235498E+00 5.027111E+00 4.826808E+00 4.634276E+00 4.449215E+00 4.271337E+00 4.100364E+00 3.936030E+00 3.778079E+00 3.626264E+00 3.480348E+00 3.340104E+00 3.205313E+00 3.075764E+00 2.951256E+00 2.831593E+00 2.716589E+00 2.606063E+00 2.499844E+00 2.397766E+00 2.299667E+00 2.205395E+00 2.114803E+00 2.027748E+00 1.944094E+00 1.863710E+00 1.786470E+00 1.712252E+00 1.640941E+00 1.572423E+00 1.506592E+00 1.443344E+00 1.382579E+00 1.324202E+00 1.268121E+00 1.214247E+00 1.162496E+00 1.112785E+00 1.065036E+00 1.019174E+00 9.751253E-01 9.328211E-01 8.921938E-01 8.531792E-01 8.157150E-01 7.797417E-01 7.452019E-01 7.120407E-01 6.802049E-01 6.496440E-01 6.203085E-01 5.921515E-01 5.651278E-01 5.391939E-01 5.143080E-01 4.904299E-01 4.675210E-01 4.455440E-01 4.244634E-01 4.042447E-01 3.848549E-01 3.662623E-01 3.484364E-01 3.313479E-01 3.149685E-01 2.992712E-01 2.842299E-01 2.698196E-01 2.560161E-01 2.427963E-01 2.301380E-01 2.180197E-01 2.064210E-01 1.953219E-01 1.847035E-01 1.745475E-01 1.648364E-01 1.555533E-01 1.466818E-01 1.382065E-01 1.301122E-01 1.223847E-01 1.150099E-01 1.079746E-01 1.012659E-01 9.487155E-02 8.877967E-02 8.297887E-02 7.745820E-02 7.220713E-02 6.721554E-02 6.247371E-02 5.797229E-02 5.370227E-02 4.965502E-02 4.582223E-02 4.219591E-02 3.876837E-02 3.553224E-02 3.248042E-02 2.960611E-02 2.690266E-02 2.436389E-02 2.198362E-02 1.975612E-02 1.767570E-02 1.573705E-02 1.393493E-02 1.226442E-02 1.072066E-02 9.299133E-03 7.995343E-03 6.805094E-03 5.724250E-03 4.748924E-03 3.875299E-03 3.099778E-03 2.418837E-03 1.829148E-03 1.327459E-03 9.106890E-04 5.758374E-04 3.200510E-04 1.405628E-04 3.473026E-05 0.000000E+00 POTENTIAL EMBED 1 201 0.000000E+00 5.000000E+01 0.000000E+00 -1.736599E+04 -2.192804E+04 -2.497119E+04 -2.728988E+04 -2.917170E+04 -3.075726E+04 -3.212692E+04 -3.333135E+04 -3.440478E+04 -3.537152E+04 -3.624947E+04 -3.705229E+04 -3.779060E+04 -3.847287E+04 -3.910597E+04 -3.969554E+04 -4.024629E+04 -4.076218E+04 -4.124656E+04 -4.170236E+04 -4.213206E+04 -4.253786E+04 -4.292167E+04 -4.328517E+04 -4.362988E+04 -4.395712E+04 -4.426810E+04 -4.456388E+04 -4.484545E+04 -4.511368E+04 -4.536937E+04 -4.561326E+04 -4.584600E+04 -4.606822E+04 -4.628047E+04 -4.648327E+04 -4.667710E+04 -4.686240E+04 -4.703960E+04 -4.720905E+04 -4.737112E+04 -4.752615E+04 -4.767445E+04 -4.781629E+04 -4.795196E+04 -4.808171E+04 -4.820577E+04 -4.832438E+04 -4.843774E+04 -4.854606E+04 -4.864953E+04 -4.874832E+04 -4.884260E+04 -4.893253E+04 -4.901827E+04 -4.909995E+04 -4.917772E+04 -4.925170E+04 -4.932203E+04 -4.938881E+04 -4.945216E+04 -4.951219E+04 -4.956900E+04 -4.962269E+04 -4.967334E+04 -4.972106E+04 -4.976592E+04 -4.980802E+04 -4.984742E+04 -4.988420E+04 -4.991843E+04 -4.995019E+04 -4.997954E+04 -5.000654E+04 -5.003126E+04 -5.005376E+04 -5.007410E+04 -5.009232E+04 -5.010848E+04 -5.012264E+04 -5.013482E+04 -5.014511E+04 -5.015353E+04 -5.016013E+04 -5.016495E+04 -5.016805E+04 -5.016943E+04 -5.016917E+04 -5.016729E+04 -5.016382E+04 -5.015880E+04 -5.015227E+04 -5.014425E+04 -5.013479E+04 -5.012391E+04 -5.011164E+04 -5.009801E+04 -5.008306E+04 -5.006679E+04 -5.004925E+04 -5.003046E+04 -5.001045E+04 -4.998923E+04 -4.996683E+04 -4.994326E+04 -4.991858E+04 -4.989279E+04 -4.986590E+04 -4.983795E+04 -4.980894E+04 -4.977891E+04 -4.974787E+04 -4.971583E+04 -4.968283E+04 -4.964886E+04 -4.961396E+04 -4.957814E+04 -4.954140E+04 -4.950378E+04 -4.946530E+04 -4.942594E+04 -4.938575E+04 -4.934472E+04 -4.930288E+04 -4.926024E+04 -4.921681E+04 -4.917260E+04 -4.912763E+04 -4.908192E+04 -4.903546E+04 -4.898828E+04 -4.894039E+04 -4.889179E+04 -4.884251E+04 -4.879254E+04 -4.874190E+04 -4.869061E+04 -4.863867E+04 -4.858608E+04 -4.853287E+04 -4.847904E+04 -4.842461E+04 -4.836956E+04 -4.831393E+04 -4.825772E+04 -4.820093E+04 -4.814358E+04 -4.808567E+04 -4.802721E+04 -4.796821E+04 -4.790867E+04 -4.784862E+04 -4.778804E+04 -4.772695E+04 -4.766536E+04 -4.760328E+04 -4.754070E+04 -4.747764E+04 -4.741412E+04 -4.735011E+04 -4.728564E+04 -4.722073E+04 -4.715536E+04 -4.708955E+04 -4.702329E+04 -4.695662E+04 -4.688950E+04 -4.682198E+04 -4.675404E+04 -4.668568E+04 -4.661692E+04 -4.654777E+04 -4.647822E+04 -4.640828E+04 -4.633796E+04 -4.626726E+04 -4.619619E+04 -4.612476E+04 -4.605295E+04 -4.598079E+04 -4.590827E+04 -4.583539E+04 -4.576218E+04 -4.568863E+04 -4.561473E+04 -4.554051E+04 -4.546595E+04 -4.539107E+04 -4.531587E+04 -4.524035E+04 -4.516451E+04 -4.508837E+04 -4.501192E+04 -4.493517E+04 -4.485813E+04 -4.478078E+04 -4.470314E+04 -4.462523E+04 -4.454702E+04 -4.446852E+04 POTENTIAL PAIR 2 2 201 1.000000E+00 5.554982E+00 1.136086E+06 1.071033E+06 1.005980E+06 9.444403E+05 8.862092E+05 8.311037E+05 7.789554E+05 7.296117E+05 6.829309E+05 6.387823E+05 5.970449E+05 5.576052E+05 5.203566E+05 4.851991E+05 4.520368E+05 4.207791E+05 3.913395E+05 3.636342E+05 3.375837E+05 3.131105E+05 2.901400E+05 2.686004E+05 2.484220E+05 2.295373E+05 2.118809E+05 1.953899E+05 1.800031E+05 1.656616E+05 1.523083E+05 1.398883E+05 1.283485E+05 1.176382E+05 1.077085E+05 9.851227E+04 9.000465E+04 8.214261E+04 7.488516E+04 6.819321E+04 6.202928E+04 5.635804E+04 5.114586E+04 4.636091E+04 4.197312E+04 3.795389E+04 3.427639E+04 3.091544E+04 2.784714E+04 2.504915E+04 2.250064E+04 2.018190E+04 1.807469E+04 1.616190E+04 1.442751E+04 1.285674E+04 1.143576E+04 1.015181E+04 8.992925E+03 7.948193E+03 7.007417E+03 6.161204E+03 5.400901E+03 4.718570E+03 4.106875E+03 3.559084E+03 3.069054E+03 2.631150E+03 2.240181E+03 1.891447E+03 1.580678E+03 1.303952E+03 1.057728E+03 8.387662E+02 6.441719E+02 4.713035E+02 3.177708E+02 1.814224E+02 6.034290E+01 -4.722430E+01 -1.428274E+02 -2.278417E+02 -3.035168E+02 -3.709851E+02 -4.311879E+02 -4.850159E+02 -5.332368E+02 -5.765486E+02 -6.155378E+02 -6.507067E+02 -6.825519E+02 -7.114538E+02 -7.377638E+02 -7.617842E+02 -7.837627E+02 -8.039231E+02 -8.224612E+02 -8.395440E+02 -8.553058E+02 -8.698550E+02 -8.832961E+02 -8.956876E+02 -9.071129E+02 -9.176096E+02 -9.272350E+02 -9.360165E+02 -9.439753E+02 -9.511387E+02 -9.575263E+02 -9.631427E+02 -9.679957E+02 -9.721046E+02 -9.754640E+02 -9.780773E+02 -9.799518E+02 -9.810948E+02 -9.814952E+02 -9.811803E+02 -9.801365E+02 -9.783772E+02 -9.759058E+02 -9.727384E+02 -9.688714E+02 -9.643218E+02 -9.590946E+02 -9.532074E+02 -9.466675E+02 -9.394961E+02 -9.317047E+02 -9.233099E+02 -9.143284E+02 -9.047784E+02 -8.946772E+02 -8.840472E+02 -8.729030E+02 -8.612727E+02 -8.491723E+02 -8.366222E+02 -8.236498E+02 -8.102710E+02 -7.965106E+02 -7.823909E+02 -7.679358E+02 -7.531634E+02 -7.381028E+02 -7.227697E+02 -7.071911E+02 -6.913859E+02 -6.753771E+02 -6.591855E+02 -6.428317E+02 -6.263390E+02 -6.097258E+02 -5.930144E+02 -5.762201E+02 -5.593679E+02 -5.424719E+02 -5.255533E+02 -5.086290E+02 -4.917187E+02 -4.748360E+02 -4.580009E+02 -4.412293E+02 -4.245372E+02 -4.079399E+02 -3.914534E+02 -3.750926E+02 -3.588714E+02 -3.428057E+02 -3.269087E+02 -3.111954E+02 -2.956795E+02 -2.803744E+02 -2.652946E+02 -2.504531E+02 -2.358642E+02 -2.215412E+02 -2.074984E+02 -1.937497E+02 -1.803100E+02 -1.671930E+02 -1.544145E+02 -1.419901E+02 -1.299356E+02 -1.182680E+02 -1.070045E+02 -9.616368E+01 -8.576432E+01 -7.582684E+01 -6.637250E+01 -5.742378E+01 -4.900472E+01 -4.114075E+01 -3.385886E+01 -2.718790E+01 -2.115872E+01 -1.580416E+01 -1.115953E+01 -7.262386E+00 -4.153101E+00 -1.874861E+00 -4.739526E-01 0.000000E+00 POTENTIAL DENS 2 201 1.000000E+00 5.554981E+00 1.071496E+01 1.055874E+01 1.040252E+01 1.022273E+01 1.002208E+01 9.803268E+00 9.568913E+00 9.321535E+00 9.063540E+00 8.797200E+00 8.524652E+00 8.247877E+00 7.968698E+00 7.688783E+00 7.409643E+00 7.132628E+00 6.858944E+00 6.589635E+00 6.325621E+00 6.067679E+00 5.816456E+00 5.572494E+00 5.336215E+00 5.107947E+00 4.887924E+00 4.676303E+00 4.473160E+00 4.278509E+00 4.092303E+00 3.914450E+00 3.744807E+00 3.583202E+00 3.429427E+00 3.283245E+00 3.144404E+00 3.012639E+00 2.887662E+00 2.769190E+00 2.656924E+00 2.550571E+00 2.449834E+00 2.354423E+00 2.264050E+00 2.178433E+00 2.097300E+00 2.020385E+00 1.947435E+00 1.878202E+00 1.812456E+00 1.749971E+00 1.690537E+00 1.633954E+00 1.580031E+00 1.528591E+00 1.479466E+00 1.432502E+00 1.387550E+00 1.344476E+00 1.303151E+00 1.263459E+00 1.225291E+00 1.188545E+00 1.153130E+00 1.118960E+00 1.085956E+00 1.054046E+00 1.023164E+00 9.932500E-01 9.642485E-01 9.361091E-01 9.087864E-01 8.822377E-01 8.564256E-01 8.313154E-01 8.068758E-01 7.830783E-01 7.598968E-01 7.373080E-01 7.152906E-01 6.938244E-01 6.728926E-01 6.524783E-01 6.325671E-01 6.131454E-01 5.942005E-01 5.757206E-01 5.576959E-01 5.401157E-01 5.229705E-01 5.062522E-01 4.899522E-01 4.740625E-01 4.585759E-01 4.434852E-01 4.287832E-01 4.144635E-01 4.005189E-01 3.869430E-01 3.737301E-01 3.608736E-01 3.483673E-01 3.362052E-01 3.243811E-01 3.128889E-01 3.017229E-01 2.908765E-01 2.803440E-01 2.701195E-01 2.601970E-01 2.505702E-01 2.412335E-01 2.321809E-01 2.234060E-01 2.149032E-01 2.066665E-01 1.986898E-01 1.909673E-01 1.834932E-01 1.762616E-01 1.692666E-01 1.625024E-01 1.559635E-01 1.496440E-01 1.435383E-01 1.376409E-01 1.319462E-01 1.264488E-01 1.211432E-01 1.160243E-01 1.110866E-01 1.063252E-01 1.017349E-01 9.731062E-02 9.304761E-02 8.894083E-02 8.498587E-02 8.117766E-02 7.751209E-02 7.398434E-02 7.059025E-02 6.732549E-02 6.418580E-02 6.116722E-02 5.826568E-02 5.547733E-02 5.279832E-02 5.022512E-02 4.775392E-02 4.538138E-02 4.310400E-02 4.091846E-02 3.882157E-02 3.681019E-02 3.488129E-02 3.303189E-02 3.125920E-02 2.956040E-02 2.793278E-02 2.637383E-02 2.488098E-02 2.345183E-02 2.208401E-02 2.077531E-02 1.952349E-02 1.832651E-02 1.718231E-02 1.608893E-02 1.504456E-02 1.404734E-02 1.309560E-02 1.218766E-02 1.132199E-02 1.049705E-02 9.711393E-03 8.963695E-03 8.252624E-03 7.576989E-03 6.935603E-03 6.327396E-03 5.751323E-03 5.206453E-03 4.691883E-03 4.206772E-03 3.750402E-03 3.322063E-03 2.921149E-03 2.547100E-03 2.199449E-03 1.877776E-03 1.581757E-03 1.311125E-03 1.065686E-03 8.453429E-04 6.500552E-04 4.798804E-04 3.349506E-04 2.154919E-04 1.218129E-04 5.431820E-05 1.351316E-05 0.000000E+00 POTENTIAL EMBED 2 201 0.000000E+00 5.078339E+01 0.000000E+00 -3.621200E+03 -5.894294E+03 -7.992846E+03 -9.968384E+03 -1.184037E+04 -1.359269E+04 -1.517470E+04 -1.663132E+04 -1.798901E+04 -1.926234E+04 -2.046030E+04 -2.158894E+04 -2.265277E+04 -2.365529E+04 -2.459949E+04 -2.548796E+04 -2.632308E+04 -2.710705E+04 -2.784206E+04 -2.849704E+04 -2.904378E+04 -2.950127E+04 -2.988380E+04 -3.020239E+04 -3.046571E+04 -3.068094E+04 -3.085396E+04 -3.098995E+04 -3.109326E+04 -3.116793E+04 -3.121750E+04 -3.124516E+04 -3.125393E+04 -3.124649E+04 -3.122556E+04 -3.119361E+04 -3.115289E+04 -3.110555E+04 -3.104593E+04 -3.097358E+04 -3.089164E+04 -3.080361E+04 -3.071197E+04 -3.061935E+04 -3.052810E+04 -3.044026E+04 -3.035761E+04 -3.028230E+04 -3.021566E+04 -3.015922E+04 -3.011450E+04 -3.008265E+04 -3.006501E+04 -3.006247E+04 -3.007635E+04 -3.010731E+04 -3.015647E+04 -3.022433E+04 -3.031202E+04 -3.041996E+04 -3.054802E+04 -3.068849E+04 -3.084098E+04 -3.100693E+04 -3.118737E+04 -3.138386E+04 -3.159714E+04 -3.182797E+04 -3.207735E+04 -3.234611E+04 -3.263449E+04 -3.294333E+04 -3.327311E+04 -3.362409E+04 -3.399684E+04 -3.439149E+04 -3.480855E+04 -3.524822E+04 -3.571050E+04 -3.619574E+04 -3.670423E+04 -3.723588E+04 -3.779084E+04 -3.836922E+04 -3.897115E+04 -3.959652E+04 -4.024544E+04 -4.091787E+04 -4.161325E+04 -4.233021E+04 -4.306877E+04 -4.382923E+04 -4.461129E+04 -4.541522E+04 -4.624114E+04 -4.708879E+04 -4.795817E+04 -4.884931E+04 -4.976228E+04 -5.069693E+04 -5.165317E+04 -5.263119E+04 -5.363047E+04 -5.465139E+04 -5.569359E+04 -5.675700E+04 -5.784158E+04 -5.894735E+04 -6.007391E+04 -6.122150E+04 -6.238985E+04 -6.357882E+04 -6.478838E+04 -6.601834E+04 -6.726849E+04 -6.853896E+04 -6.982955E+04 -7.113994E+04 -7.247017E+04 -7.382013E+04 -7.518959E+04 -7.657643E+04 -7.797558E+04 -7.938726E+04 -8.081169E+04 -8.224880E+04 -8.369901E+04 -8.516220E+04 -8.663849E+04 -8.812818E+04 -8.963127E+04 -9.114762E+04 -9.267758E+04 -9.422116E+04 -9.577813E+04 -9.734874E+04 -9.893316E+04 -1.005311E+05 -1.021426E+05 -1.037679E+05 -1.054069E+05 -1.070595E+05 -1.087257E+05 -1.104057E+05 -1.120992E+05 -1.138062E+05 -1.155268E+05 -1.172611E+05 -1.190086E+05 -1.207698E+05 -1.225442E+05 -1.243322E+05 -1.261334E+05 -1.279478E+05 -1.297757E+05 -1.316166E+05 -1.334706E+05 -1.353378E+05 -1.372181E+05 -1.391113E+05 -1.410172E+05 -1.429356E+05 -1.448660E+05 -1.468089E+05 -1.487640E+05 -1.507312E+05 -1.527106E+05 -1.547020E+05 -1.567055E+05 -1.587211E+05 -1.607485E+05 -1.627879E+05 -1.648390E+05 -1.669022E+05 -1.689770E+05 -1.710635E+05 -1.731617E+05 -1.752717E+05 -1.773929E+05 -1.795259E+05 -1.816702E+05 -1.838261E+05 -1.859933E+05 -1.881717E+05 -1.903614E+05 -1.925623E+05 -1.947744E+05 -1.969977E+05 -1.992320E+05 -2.014773E+05 -2.037336E+05 -2.060008E+05 -2.082787E+05 -2.105676E+05 -2.128672E+05 -2.151774E+05 -2.174985E+05 -2.198300E+05 -2.221722E+05 -2.245144E+05 POTENTIAL PAIR 1 2 201 0.000000E+00 5.150000E+00 4.701612E+05 4.555195E+05 4.412215E+05 4.272607E+05 4.136317E+05 4.003291E+05 3.873467E+05 3.746795E+05 3.623220E+05 3.502687E+05 3.385140E+05 3.270533E+05 3.158807E+05 3.049912E+05 2.943801E+05 2.840419E+05 2.739717E+05 2.641649E+05 2.546163E+05 2.453210E+05 2.362747E+05 2.274723E+05 2.189092E+05 2.105810E+05 2.024831E+05 1.946108E+05 1.869602E+05 1.795264E+05 1.723053E+05 1.652928E+05 1.584844E+05 1.518762E+05 1.454640E+05 1.392437E+05 1.332113E+05 1.273632E+05 1.216950E+05 1.162032E+05 1.108839E+05 1.057333E+05 1.007479E+05 9.592401E+04 9.125793E+04 8.674626E+04 8.238540E+04 7.817202E+04 7.410269E+04 7.017404E+04 6.638281E+04 6.272577E+04 5.919973E+04 5.580147E+04 5.252797E+04 4.937614E+04 4.634295E+04 4.342548E+04 4.062079E+04 3.792596E+04 3.533824E+04 3.285481E+04 3.047290E+04 2.818985E+04 2.600301E+04 2.390972E+04 2.190747E+04 1.999371E+04 1.816594E+04 1.642175E+04 1.475872E+04 1.317448E+04 1.166674E+04 1.023321E+04 8.871646E+03 7.579859E+03 6.355692E+03 5.197008E+03 4.101750E+03 3.067867E+03 2.093347E+03 1.176242E+03 3.146165E+02 -4.934280E+02 -1.249730E+03 -1.956112E+03 -2.614361E+03 -3.226211E+03 -3.793374E+03 -4.317523E+03 -4.800302E+03 -5.243306E+03 -5.648106E+03 -6.016240E+03 -6.349205E+03 -6.648469E+03 -6.915471E+03 -7.151607E+03 -7.358249E+03 -7.536733E+03 -7.688361E+03 -7.814413E+03 -7.916120E+03 -7.994708E+03 -8.051349E+03 -8.087195E+03 -8.103370E+03 -8.100965E+03 -8.081032E+03 -8.044613E+03 -7.992709E+03 -7.926297E+03 -7.846319E+03 -7.753708E+03 -7.649350E+03 -7.534104E+03 -7.408812E+03 -7.274301E+03 -7.131337E+03 -6.980692E+03 -6.823098E+03 -6.659268E+03 -6.489885E+03 -6.315609E+03 -6.137081E+03 -5.954910E+03 -5.769686E+03 -5.581978E+03 -5.392326E+03 -5.201252E+03 -5.009256E+03 -4.816814E+03 -4.624378E+03 -4.432388E+03 -4.241252E+03 -4.051363E+03 -3.863096E+03 -3.676801E+03 -3.492808E+03 -3.311434E+03 -3.132972E+03 -2.957695E+03 -2.785864E+03 -2.617715E+03 -2.453468E+03 -2.293331E+03 -2.137488E+03 -1.986109E+03 -1.839346E+03 -1.697340E+03 -1.560211E+03 -1.428063E+03 -1.300990E+03 -1.179066E+03 -1.062352E+03 -9.508975E+02 -8.447359E+02 -7.438843E+02 -6.483514E+02 -5.581325E+02 -4.732053E+02 -3.935405E+02 -3.190961E+02 -2.498149E+02 -1.856322E+02 -1.264721E+02 -7.224454E+01 -2.285283E+01 2.181037E+01 6.186446E+01 9.743572E+01 1.286598E+02 1.556830E+02 1.786577E+02 1.977454E+02 2.131158E+02 2.249453E+02 2.334180E+02 2.387244E+02 2.410615E+02 2.406329E+02 2.376477E+02 2.323207E+02 2.248716E+02 2.155254E+02 2.045116E+02 1.920635E+02 1.784189E+02 1.638191E+02 1.485083E+02 1.327339E+02 1.167465E+02 1.007978E+02 8.514235E+01 7.003675E+01 5.573775E+01 4.250413E+01 3.059528E+01 2.027037E+01 1.178927E+01 5.411527E+00 1.395733E+00 0.000000E+00 eunit erg