# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Hoyt-J-J-Garvin-J-W-Webb-E-B-Asta-M--Cu-Pb # implementation = 2003--Hoyt-J-J--Cu-Pb--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Cu Cu Cu Pb Pb Pb 0.02 8.167960957e+04 5.751464211e+04 4.138708028e+01 0.04 3.785961890e+04 2.603224498e+04 4.074770192e+01 0.06 2.356169007e+04 1.634548158e+04 4.005245798e+01 0.08 1.649064666e+04 1.149988892e+04 3.934854577e+01 0.10 1.229494282e+04 8.485719067e+03 3.864606374e+01 0.12 9.524568547e+03 6.207954710e+03 3.794862469e+01 0.14 7.564081657e+03 4.112361753e+03 3.725781762e+01 0.16 6.106363012e+03 1.868610298e+03 3.657443149e+01 0.18 4.982052065e+03 -6.950504620e+02 3.589888677e+01 0.20 4.090673618e+03 -3.622131129e+03 3.523141483e+01 0.22 3.369499569e+03 -6.858560066e+03 3.457214207e+01 0.24 2.778098712e+03 -1.025597758e+04 3.392120531e+01 0.26 2.287796787e+03 -1.363680684e+04 3.327510203e+01 0.28 1.878483750e+03 -1.681605874e+04 3.263792394e+01 0.30 1.535640948e+03 -1.961543183e+04 3.200969221e+01 0.32 1.248739641e+03 -2.186382332e+04 3.139021989e+01 0.34 1.008249558e+03 -2.350985730e+04 3.113313283e+01 0.36 8.071264410e+02 -2.451793978e+04 3.966346278e+01 0.38 6.398772703e+02 -2.487780212e+04 5.568726577e+01 0.40 5.016321902e+02 -2.463502577e+04 5.143890266e+01 0.42 3.877987912e+02 -2.389097287e+04 4.748039816e+01 0.44 2.948010235e+02 -2.273627665e+04 4.386407352e+01 0.46 2.197957301e+02 -2.125388705e+04 4.056593282e+01 0.48 1.598415352e+02 -1.955512634e+04 3.756315307e+01 0.50 1.124457943e+02 -1.773648692e+04 3.483372064e+01 0.52 7.557229471e+01 -1.587441414e+04 3.235726649e+01 0.54 4.759455695e+01 -1.402806258e+04 3.011427784e+01 0.56 2.675716600e+01 -1.225617430e+04 2.808618702e+01 0.58 1.175062646e+01 -1.059394965e+04 2.625539555e+01 0.60 1.462066900e+00 -9.065325233e+03 2.460523990e+01 0.62 -5.083214427e+00 -7.685390653e+03 2.311995586e+01 0.64 -8.718665839e+00 -6.457724760e+03 2.178464393e+01 0.66 -1.011165765e+01 -5.380077924e+03 2.058523583e+01 0.68 -9.848844536e+00 -4.447702339e+03 1.950846199e+01 0.70 -8.398196185e+00 -3.650166055e+03 1.854181971e+01 0.72 -6.106711256e+00 -2.973589759e+03 1.767354509e+01 0.74 -3.271490199e+00 -2.405084742e+03 1.689233586e+01 0.76 -1.919496839e-01 -1.933928356e+03 1.618795271e+01 0.78 2.995375925e+00 -1.545184200e+03 1.555077534e+01 0.80 6.166877204e+00 -1.226487084e+03 1.497170034e+01 0.82 9.208984502e+00 -9.673820578e+02 1.444222050e+01 0.84 1.199462519e+01 -7.593909752e+02 1.395439987e+01 0.86 1.454127357e+01 -5.922794441e+02 1.350084906e+01 0.88 1.681876822e+01 -4.588314020e+02 1.307470119e+01 0.90 1.878540737e+01 -3.533030868e+02 1.266959060e+01 0.92 2.043168769e+01 -2.704458446e+02 1.227961016e+01 0.94 2.179957913e+01 -2.053182041e+02 1.190067570e+01 0.96 2.289956774e+01 -1.543943227e+02 1.153363671e+01 0.98 2.371863786e+01 -1.150658742e+02 1.117995499e+01 1.00 2.429080676e+01 -8.471040372e+01 1.084059244e+01 1.02 2.448810519e+01 -6.128236522e+01 1.051605175e+01 1.04 2.428041987e+01 -4.329157946e+01 1.020625161e+01 1.06 2.371917020e+01 -2.972942830e+01 9.910706130e+00 1.08 2.290614790e+01 -1.940917150e+01 9.628579903e+00 1.10 2.190834940e+01 -1.159783701e+01 9.358741194e+00 1.12 2.077991560e+01 -5.753271715e+00 9.099810713e+00 1.14 1.956579534e+01 -1.452003674e+00 8.850206285e+00 1.16 1.831571790e+01 1.726700144e+00 8.608183625e+00 1.18 1.705943677e+01 4.043392373e+00 8.371875601e+00 1.20 1.581553509e+01 5.678217562e+00 8.139315808e+00 1.22 1.461242767e+01 6.799466236e+00 7.909146890e+00 1.24 1.345105596e+01 7.546226098e+00 7.681357032e+00 1.26 1.233863076e+01 8.007583819e+00 7.456199991e+00 1.28 1.127628286e+01 8.238080387e+00 7.233813629e+00 1.30 1.026905980e+01 8.304859952e+00 7.014326239e+00 1.32 9.318120215e+00 2.006750975e+01 6.797854995e+00 1.34 8.426848118e+00 1.311210178e+01 6.584506109e+00 1.36 7.586559303e+00 9.129005614e+00 6.374375359e+00 1.38 6.797876782e+00 6.901376478e+00 6.167548602e+00 1.40 6.058607606e+00 5.683909570e+00 5.964102270e+00 1.42 5.365838938e+00 5.006758827e+00 5.764103849e+00 1.44 4.717155105e+00 4.580348621e+00 5.567613120e+00 1.46 4.111186282e+00 4.237504882e+00 5.374648216e+00 1.48 3.545642400e+00 3.922485639e+00 5.185229179e+00 1.50 3.017832980e+00 3.640938969e+00 4.999457298e+00 1.52 2.526045065e+00 3.386519934e+00 4.817358593e+00 1.54 2.068581829e+00 3.146216109e+00 4.638955495e+00 1.56 1.643509400e+00 2.906167624e+00 4.464264407e+00 1.58 1.252872460e+00 2.661273317e+00 4.293296050e+00 1.60 8.933939745e-01 2.416578398e+00 4.126055801e+00 1.62 5.606806737e-01 2.174992512e+00 3.962544012e+00 1.64 2.531603947e-01 1.938437919e+00 3.802756323e+00 1.66 -3.066971740e-02 1.708244558e+00 3.646683957e+00 1.68 -2.919965512e-01 1.486148443e+00 3.494314472e+00 1.70 -5.321354656e-01 1.272928361e+00 3.345616209e+00 1.72 -7.523911668e-01 1.068885757e+00 3.200545390e+00 1.74 -9.539389330e-01 8.744319609e-01 3.059121048e+00 1.76 -1.137866411e+00 6.899474048e-01 2.921315028e+00 1.78 -1.305263393e+00 5.154504146e-01 2.787097379e+00 1.80 -1.457199894e+00 3.506736162e-01 2.656435464e+00 1.82 -1.594627484e+00 1.956523931e-01 2.529294197e+00 1.84 -1.718468498e+00 5.023378265e-02 2.405636240e+00 1.86 -1.829610733e+00 -8.586111818e-02 2.285422185e+00 1.88 -1.928921481e+00 -2.130589484e-01 2.168610739e+00 1.90 -2.017163518e+00 -3.315013665e-01 2.055158885e+00 1.92 -2.095084919e+00 -4.415269999e-01 1.945022184e+00 1.94 -2.163407305e+00 -5.435389760e-01 1.838148118e+00 1.96 -2.222811741e+00 -6.379171904e-01 1.734470763e+00 1.98 -2.273902991e+00 -7.249279232e-01 1.633968659e+00 2.00 -2.317271022e+00 -8.049295106e-01 1.536592636e+00 2.02 -2.353505084e+00 -8.783379011e-01 1.442292397e+00 2.04 -2.383120201e+00 -9.454666413e-01 1.351016807e+00 2.06 -2.406586420e+00 -1.006617494e+00 1.262714083e+00 2.08 -2.424363597e+00 -1.062122835e+00 1.177331905e+00 2.10 -2.436946423e+00 -1.112377552e+00 1.094817505e+00 2.12 -2.444687529e+00 -1.157618124e+00 1.015117758e+00 2.14 -2.447958888e+00 -1.198138182e+00 9.381792652e-01 2.16 -2.447133550e+00 -1.234242859e+00 8.639484143e-01 2.18 -2.442587021e+00 -1.266241676e+00 7.923687780e-01 2.20 -2.434559004e+00 -1.294353518e+00 7.233729115e-01 2.22 -2.423382462e+00 -1.318822710e+00 6.569235633e-01 2.24 -2.409383240e+00 -1.339918959e+00 5.929681925e-01 2.26 -2.392698524e+00 -1.357868743e+00 5.314532594e-01 2.28 -2.373435333e+00 -1.372855594e+00 4.723253203e-01 2.30 -2.351722763e+00 -1.385094505e+00 4.155311610e-01 2.32 -2.327610475e+00 -1.394829113e+00 3.610178392e-01 2.34 -2.301151629e+00 -1.402217477e+00 3.087327212e-01 2.36 -2.272802396e+00 -1.407403729e+00 2.586235192e-01 2.38 -2.243064722e+00 -1.410539465e+00 2.106383241e-01 2.40 -2.212273029e+00 -1.411807986e+00 1.647255878e-01 2.42 -2.180404235e+00 -1.411316810e+00 1.208332338e-01 2.44 -2.147541285e+00 -1.409180387e+00 7.890100455e-02 2.46 -2.113845228e+00 -1.405507360e+00 3.888868398e-02 2.48 -2.079468497e+00 -1.400406281e+00 7.481991961e-04 2.50 -2.044452845e+00 -1.393990961e+00 -3.556958001e-02 2.52 -2.008899269e+00 -1.386426174e+00 -7.011329853e-02 2.54 -1.972958623e+00 -1.377883558e+00 -1.029310626e-01 2.56 -1.936691940e+00 -1.368490635e+00 -1.340704323e-01 2.58 -1.900139601e+00 -1.358331122e+00 -1.635784134e-01 2.60 -1.863377567e+00 -1.347479923e+00 -1.915014512e-01 2.62 -1.826559758e+00 -1.336036822e+00 -2.178854267e-01 2.64 -1.789662888e+00 -1.324046295e+00 -2.427756827e-01 2.66 -1.752738646e+00 -1.311572139e+00 -2.662172185e-01 2.68 -1.715870727e+00 -1.298696611e+00 -2.882607656e-01 2.70 -1.679157801e+00 -1.285490618e+00 -3.089442188e-01 2.72 -1.642555403e+00 -1.271988897e+00 -3.283089583e-01 2.74 -1.606108247e+00 -1.258245094e+00 -3.463975192e-01 2.76 -1.569911545e+00 -1.244321125e+00 -3.632518681e-01 2.78 -1.534010832e+00 -1.230263517e+00 -3.789134228e-01 2.80 -1.498388855e+00 -1.216102323e+00 -3.934230595e-01 2.82 -1.463043672e+00 -1.201876899e+00 -4.068211182e-01 2.84 -1.428074698e+00 -1.187638979e+00 -4.191474113e-01 2.86 -1.393469136e+00 -1.173411688e+00 -4.304412328e-01 2.88 -1.359235465e+00 -1.159221005e+00 -4.407413746e-01 2.90 -1.325411548e+00 -1.145096874e+00 -4.500860867e-01 2.92 -1.292109146e+00 -1.131088269e+00 -4.585173059e-01 2.94 -1.259241565e+00 -1.117196832e+00 -4.660693521e-01 2.96 -1.226652367e+00 -1.103440587e+00 -4.727775148e-01 2.98 -1.194428434e+00 -1.089844151e+00 -4.786782409e-01 3.00 -1.162684165e+00 -1.076428876e+00 -4.838074803e-01 3.02 -1.131437854e+00 -1.063199653e+00 -4.882007448e-01 3.04 -1.100752500e+00 -1.050170139e+00 -4.918931182e-01 3.06 -1.070729875e+00 -1.037360681e+00 -4.949192671e-01 3.08 -1.041394101e+00 -1.024778150e+00 -4.973134530e-01 3.10 -1.012744640e+00 -1.012425362e+00 -4.991095432e-01 3.12 -9.848087112e-01 -1.000309660e+00 -5.003410205e-01 3.14 -9.577852695e-01 -9.884475408e-01 -5.010409161e-01 3.16 -9.316764138e-01 -9.768379876e-01 -5.012442425e-01 3.18 -9.062696031e-01 -9.654798003e-01 -5.009821182e-01 3.20 -8.814128324e-01 -9.543733910e-01 -5.002853720e-01 3.22 -8.570152052e-01 -9.435254169e-01 -4.991857734e-01 3.24 -8.329205748e-01 -9.329265087e-01 -4.977147295e-01 3.26 -8.090527054e-01 -9.225750859e-01 -4.959033335e-01 3.28 -7.853898955e-01 -9.124733420e-01 -4.937823743e-01 3.30 -7.618990839e-01 -9.026179860e-01 -4.913823457e-01 3.32 -7.385219926e-01 -8.929995027e-01 -4.887334556e-01 3.34 -7.152489318e-01 -8.836129181e-01 -4.858656332e-01 3.36 -6.921268866e-01 -8.744583218e-01 -4.828085361e-01 3.38 -6.691325710e-01 -8.655248310e-01 -4.795915190e-01 3.40 -6.462599812e-01 -8.568049662e-01 -4.762445121e-01 3.42 -6.235286812e-01 -8.482902069e-01 -4.727960609e-01 3.44 -6.010111172e-01 -8.399766715e-01 -4.692742088e-01 3.46 -5.785618993e-01 -8.318454531e-01 -4.657074512e-01 3.48 -5.562493616e-01 -8.238869805e-01 -4.621242113e-01 3.50 -5.342019006e-01 -8.160977443e-01 -4.585534581e-01 3.52 -5.125273423e-01 -8.084774430e-01 -4.550191349e-01 3.54 -4.912550794e-01 -8.010196443e-01 -4.515351317e-01 3.56 -4.704428691e-01 -7.937218170e-01 -4.481065839e-01 3.58 -4.501715149e-01 -7.865842903e-01 -4.447314790e-01 3.60 -4.304650295e-01 -7.796026533e-01 -4.414023495e-01 3.62 -4.113244372e-01 -7.727708360e-01 -4.381061866e-01 3.64 -3.927695492e-01 -7.660851053e-01 -4.348304014e-01 3.66 -3.748590235e-01 -7.595453772e-01 -4.315568721e-01 3.68 -3.575583635e-01 -7.531427033e-01 -4.282674198e-01 3.70 -3.408628155e-01 -7.468720065e-01 -4.249447577e-01 3.72 -3.247802860e-01 -7.407294591e-01 -4.215726453e-01 3.74 -3.093344321e-01 -7.347126779e-01 -4.181366212e-01 3.76 -2.944782975e-01 -7.288132427e-01 -4.146246162e-01 3.78 -2.802019307e-01 -7.230260005e-01 -4.110274489e-01 3.80 -2.665134793e-01 -7.173473564e-01 -4.073392109e-01 3.82 -2.534015879e-01 -7.117720326e-01 -4.035575462e-01 3.84 -2.408291095e-01 -7.062925390e-01 -3.996838170e-01 3.86 -2.287817111e-01 -7.009033010e-01 -3.957231490e-01 3.88 -2.172687758e-01 -6.956008373e-01 -3.916847108e-01 3.90 -2.062576925e-01 -6.903778929e-01 -3.875814892e-01 3.92 -1.957218139e-01 -6.852273586e-01 -3.834287529e-01 3.94 -1.856457582e-01 -6.801433282e-01 -3.792450958e-01 3.96 -1.760420685e-01 -6.751221789e-01 -3.750514501e-01 3.98 -1.668632988e-01 -6.701551329e-01 -3.708704663e-01 4.00 -1.580936574e-01 -6.652360056e-01 -3.667257763e-01 4.02 -1.497261174e-01 -6.603592657e-01 -3.626411523e-01 4.04 -1.417532679e-01 -6.555192587e-01 -3.586395575e-01 4.06 -1.341421225e-01 -6.507080728e-01 -3.547420779e-01 4.08 -1.268780428e-01 -6.459192520e-01 -3.509667518e-01 4.10 -1.199593280e-01 -6.411473347e-01 -3.473273104e-01 4.12 -1.133678994e-01 -6.363851534e-01 -3.438325906e-01 4.14 -1.070805226e-01 -6.316245403e-01 -3.404851365e-01 4.16 -1.010845862e-01 -6.268594761e-01 -3.372733636e-01 4.18 -9.538304372e-02 -6.220844879e-01 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