# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--fictional-spread-alloy # implementation = 2023--Daw-M-S--fictional-spread-alloy--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 2026-08-31 r B B A B A A 0.02 6.228371728e+04 5.857238392e+04 6.015487148e+04 0.04 5.411405905e+04 4.984819104e+04 5.048468351e+04 0.06 4.702762871e+04 4.243699900e+04 4.238654156e+04 0.08 4.088084577e+04 3.614033467e+04 3.560486714e+04 0.10 3.554907445e+04 3.078979904e+04 2.992545432e+04 0.12 3.092413772e+04 2.624250012e+04 2.516880839e+04 0.14 2.691215601e+04 2.237718116e+04 2.118455158e+04 0.16 2.343166816e+04 1.909093794e+04 1.784672568e+04 0.18 2.041199803e+04 1.629643545e+04 1.504984843e+04 0.20 1.779183474e+04 1.391954749e+04 1.270560324e+04 0.22 1.551799878e+04 1.189735509e+04 1.074006108e+04 0.24 1.354436975e+04 1.017644881e+04 9.091349317e+03 0.26 1.183095463e+04 8.711488724e+03 7.707696116e+03 0.28 1.034307835e+04 7.463982975e+03 6.545790060e+03 0.30 9.050680609e+03 6.401251521e+03 5.569404573e+03 0.32 7.927705079e+03 5.495546990e+03 4.748244581e+03 0.34 6.951568978e+03 4.723308761e+03 4.056979752e+03 0.36 6.102702444e+03 4.064530021e+03 3.474434293e+03 0.38 5.364148606e+03 3.502220671e+03 2.982908108e+03 0.40 4.721216390e+03 3.021951521e+03 2.567608177e+03 0.42 4.161179153e+03 2.611467449e+03 2.216172344e+03 0.44 3.673013139e+03 2.260359081e+03 1.918270631e+03 0.46 3.247170521e+03 1.959784108e+03 1.665271512e+03 0.48 2.875382489e+03 1.702230734e+03 1.449962668e+03 0.50 2.550488437e+03 1.481316877e+03 1.266317362e+03 0.52 2.266287805e+03 1.291619699e+03 1.109299063e+03 0.54 2.017411602e+03 1.128530893e+03 9.746980816e+02 0.56 1.799211005e+03 9.881338267e+02 8.589950297e+02 0.58 1.607660790e+03 8.670992287e+02 7.592467162e+02 0.60 1.439275631e+03 7.625966309e+02 6.729908329e+02 0.62 1.291037557e+03 6.722191744e+02 5.981663545e+02 0.64 1.160333109e+03 5.939197667e+02 5.330470820e+02 0.66 1.044898891e+03 5.259568728e+02 4.761861761e+02 0.68 9.427744182e+02 4.668484879e+02 4.263698773e+02 0.70 8.522612774e+02 4.153330547e+02 3.825789004e+02 0.72 7.718877759e+02 3.703362788e+02 3.439562417e+02 0.74 7.003783355e+02 3.309429512e+02 3.097803394e+02 0.76 6.366270059e+02 2.963730222e+02 2.794427028e+02 0.78 5.796745457e+02 2.659612862e+02 2.524292709e+02 0.80 5.286885944e+02 2.391401315e+02 2.283048816e+02 0.82 4.829465210e+02 2.154248932e+02 2.067003341e+02 0.84 4.418205920e+02 1.944014159e+02 1.873016141e+02 0.86 4.047651466e+02 1.757154943e+02 1.698409196e+02 0.88 3.713055096e+02 1.590639056e+02 1.540891880e+02 0.90 3.410284080e+02 1.441867963e+02 1.398498717e+02 0.92 3.135736894e+02 1.308612168e+02 1.269537544e+02 0.94 2.886271655e+02 1.188956315e+02 1.152546323e+02 0.96 2.659144296e+02 1.081252576e+02 1.046257152e+02 0.98 2.451955157e+02 9.840810535e+01 9.495662623e+01 1.00 2.262602854e+02 8.962161678e+01 8.615089883e+01 1.02 2.089244436e+02 8.165980954e+01 7.812388776e+01 1.04 1.930260979e+02 7.443085152e+01 7.080102358e+01 1.06 1.784227869e+02 6.785500011e+01 6.411635278e+01 1.08 1.649889150e+02 6.186285128e+01 5.801131515e+01 1.10 1.526135360e+02 5.639385154e+01 5.243371832e+01 1.12 1.411984400e+02 5.139503303e+01 4.733687615e+01 1.14 1.306565005e+02 4.681993785e+01 4.267888319e+01 1.16 1.209102469e+02 4.262770319e+01 3.842200245e+01 1.18 1.118906311e+02 3.878228266e+01 3.453214723e+01 1.20 1.035359615e+02 3.525178342e+01 3.097844142e+01 1.22 9.579098183e+01 3.200790141e+01 2.773284500e+01 1.24 8.860607389e+01 2.902543994e+01 2.476983410e+01 1.26 8.193656838e+01 2.628189896e+01 2.206612643e+01 1.28 7.574214782e+01 2.375712434e+01 1.960044481e+01 1.30 6.998632951e+01 2.143300810e+01 1.735331254e+01 1.32 6.463601715e+01 1.929323183e+01 1.530687556e+01 1.34 5.966111184e+01 1.732304690e+01 1.344474709e+01 1.36 5.503417415e+01 1.550908581e+01 1.175187133e+01 1.38 5.073013017e+01 1.383920004e+01 1.021440333e+01 1.40 4.672601567e+01 1.230232045e+01 8.819602441e+00 1.42 4.300075288e+01 1.088833676e+01 7.555737602e+00 1.44 3.953495562e+01 9.587993465e+00 6.412002548e+00 1.46 3.631075870e+01 8.392799452e+00 5.378439726e+00 1.48 3.331166846e+01 7.294949589e+00 4.445871669e+00 1.50 3.052243138e+01 6.287256323e+00 3.605838879e+00 1.52 2.792891851e+01 5.363089917e+00 2.850543409e+00 1.54 2.551802334e+01 4.516326050e+00 2.172797447e+00 1.56 2.327757156e+01 3.741299718e+00 1.565976335e+00 1.58 2.119624091e+01 3.032764556e+00 1.023975524e+00 1.60 1.926348996e+01 2.385856794e+00 5.411710405e-01 1.62 1.746949445e+01 1.796063224e+00 1.123831181e-01 1.64 1.580509046e+01 1.259192621e+00 -2.671573249e-01 1.66 1.426172327e+01 7.713501438e-01 -6.018396256e-01 1.68 1.283140141e+01 3.289143399e-01 -8.957019684e-01 1.70 1.150665507e+01 -7.148360563e-02 -1.152457833e+00 1.72 1.028049853e+01 -4.329786450e-01 -1.375520480e+00 1.74 9.146395895e+00 -7.584889212e-01 -1.568025630e+00 1.76 8.098229950e+00 -1.050731305e+00 -1.732852486e+00 1.78 7.130273667e+00 -1.312235595e+00 -1.872643222e+00 1.80 6.237164067e+00 -1.545357535e+00 -1.989821050e+00 1.82 5.413878220e+00 -1.752290772e+00 -2.086606985e+00 1.84 4.655711112e+00 -1.935077887e+00 -2.165035384e+00 1.86 3.958255210e+00 -2.095620564e+00 -2.226968362e+00 1.88 3.317381541e+00 -2.235689023e+00 -2.274109157e+00 1.90 2.729222141e+00 -2.356930748e+00 -2.308014523e+00 1.92 2.190153738e+00 -2.460878603e+00 -2.330106214e+00 1.94 1.696782563e+00 -2.548958385e+00 -2.341681628e+00 1.96 1.245930183e+00 -2.622495853e+00 -2.343923666e+00 1.98 8.346202703e-01 -2.682723289e+00 -2.337909863e+00 2.00 4.600662295e-01 -2.730785616e+00 -2.324620838e+00 2.02 1.196596155e-01 -2.767746128e+00 -2.304948118e+00 2.04 -1.890407219e-01 -2.794591831e+00 -2.279701370e+00 2.06 -4.683188198e-01 -2.812238457e+00 -2.249615091e+00 2.08 -7.203111594e-01 -2.821535146e+00 -2.215354790e+00 2.10 -9.470156432e-01 -2.823268835e+00 -2.177522699e+00 2.12 -1.150300032e+00 -2.818168374e+00 -2.136663048e+00 2.14 -1.331909877e+00 -2.806908373e+00 -2.093266929e+00 2.16 -1.493475982e+00 -2.790112819e+00 -2.047776790e+00 2.18 -1.636521422e+00 -2.768358455e+00 -2.000590573e+00 2.20 -1.762468152e+00 -2.742177957e+00 -1.952065533e+00 2.22 -1.872643222e+00 -2.712062903e+00 -1.902521749e+00 2.24 -1.968284634e+00 -2.678466563e+00 -1.852245367e+00 2.26 -2.050546848e+00 -2.641806509e+00 -1.801491577e+00 2.28 -2.120505974e+00 -2.602467059e+00 -1.750487351e+00 2.30 -2.179164650e+00 -2.560801574e+00 -1.699433967e+00 2.32 -2.227456642e+00 -2.517134601e+00 -1.648509323e+00 2.34 -2.266251169e+00 -2.471763884e+00 -1.597870062e+00 2.36 -2.296356973e+00 -2.424962245e+00 -1.547653527e+00 2.38 -2.318526152e+00 -2.376979349e+00 -1.497979551e+00 2.40 -2.333457762e+00 -2.328043345e+00 -1.448952101e+00 2.42 -2.341801208e+00 -2.278362413e+00 -1.400660780e+00 2.44 -2.344159432e+00 -2.228126200e+00 -1.353182210e+00 2.46 -2.341091909e+00 -2.177507173e+00 -1.306581292e+00 2.48 -2.333117464e+00 -2.126661870e+00 -1.260912362e+00 2.50 -2.320716922e+00 -2.075732081e+00 -1.216220244e+00 2.52 -2.304335595e+00 -2.024845943e+00 -1.172541221e+00 2.54 -2.284385615e+00 -1.974118965e+00 -1.129903908e+00 2.56 -2.261248132e+00 -1.923654982e+00 -1.088330063e+00 2.58 -2.235275370e+00 -1.873547049e+00 -1.047835315e+00 2.60 -2.206792564e+00 -1.823878270e+00 -1.008429833e+00 2.62 -2.176099767e+00 -1.774722571e+00 -9.701189387e-01 2.64 -2.143473560e+00 -1.726145423e+00 -9.329036512e-01 2.66 -2.109168636e+00 -1.678204514e+00 -8.967811967e-01 2.68 -2.073419304e+00 -1.630950370e+00 -8.617454619e-01 2.70 -2.036440885e+00 -1.584426941e+00 -8.277874089e-01 2.72 -1.998431027e+00 -1.538672137e+00 -7.948954507e-01 2.74 -1.959570932e+00 -1.493718332e+00 -7.630557904e-01 2.76 -1.920026509e+00 -1.449592831e+00 -7.322527292e-01 2.78 -1.879949449e+00 -1.406318303e+00 -7.024689432e-01 2.80 -1.839478234e+00 -1.363913181e+00 -6.736857344e-01 2.82 -1.798739078e+00 -1.322392035e+00 -6.458832555e-01 2.84 -1.757846813e+00 -1.281765920e+00 -6.190407130e-01 2.86 -1.716905707e+00 -1.242042692e+00 -5.931365488e-01 2.88 -1.676010237e+00 -1.203227310e+00 -5.681486038e-01 2.90 -1.635245808e+00 -1.165322102e+00 -5.440542632e-01 2.92 -1.594689425e+00 -1.128327026e+00 -5.208305870e-01 2.94 -1.554410319e+00 -1.092239901e+00 -4.984544258e-01 2.96 -1.514470532e+00 -1.057056622e+00 -4.769025233e-01 2.98 -1.474925463e+00 -1.022771362e+00 -4.561516080e-01 3.00 -1.435824378e+00 -9.893767575e-01 -4.361784728e-01 3.02 -1.397210884e+00 -9.568640725e-01 -4.169600461e-01 3.04 -1.359123367e+00 -9.252233604e-01 -3.984734534e-01 3.06 -1.321595412e+00 -8.944436048e-01 -3.806960709e-01 3.08 -1.284656180e+00 -8.645128521e-01 -3.636055725e-01 3.10 -1.248330765e+00 -8.354183330e-01 -3.471799693e-01 3.12 -1.212640529e+00 -8.071465734e-01 -3.313976441e-01 3.14 -1.177603411e+00 -7.796834963e-01 -3.162373800e-01 3.16 -1.143234210e+00 -7.530145151e-01 -3.016783847e-01 3.18 -1.109544855e+00 -7.271246189e-01 -2.877003101e-01 3.20 -1.076544652e+00 -7.019984501e-01 -2.742832681e-01 3.22 -1.044240513e+00 -6.776203754e-01 -2.614078433e-01 3.24 -1.012637172e+00 -6.539745505e-01 -2.490551024e-01 3.26 -9.817373771e-01 -6.310449782e-01 -2.372066006e-01 3.28 -9.515420811e-01 -6.088155622e-01 -2.258443857e-01 3.30 -9.220506061e-01 -5.872701549e-01 -2.149510008e-01 3.32 -8.932608030e-01 -5.663926008e-01 -2.045094835e-01 3.34 -8.651691960e-01 -5.461667759e-01 -1.945033651e-01 3.36 -8.377711178e-01 -5.265766227e-01 -1.849166670e-01 3.38 -8.110608336e-01 -5.076061816e-01 -1.757338967e-01 3.40 -7.850316560e-01 -4.892396196e-01 -1.669400421e-01 3.42 -7.596760506e-01 -4.714612548e-01 -1.585205651e-01 3.44 -7.349857343e-01 -4.542555786e-01 -1.504613944e-01 3.46 -7.109517643e-01 -4.376072757e-01 -1.427489173e-01 3.48 -6.875646220e-01 -4.215012409e-01 -1.353699714e-01 3.50 -6.648142884e-01 -4.059225941e-01 -1.283118350e-01 3.52 -6.426903140e-01 -3.908566933e-01 -1.215622182e-01 3.54 -6.211818838e-01 -3.762891455e-01 -1.151092526e-01 3.56 -6.002778752e-01 -3.622058161e-01 -1.089414813e-01 3.58 -5.799669124e-01 -3.485928369e-01 -1.030478488e-01 3.60 -5.602374158e-01 -3.354366124e-01 -9.741769083e-02 3.62 -5.410776466e-01 -3.227238254e-01 -9.204072457e-02 3.64 -5.224757481e-01 -3.104414390e-01 -8.690703445e-02 3.66 -5.044197830e-01 -2.985767010e-01 -8.200706420e-02 3.68 -4.868977673e-01 -2.871171453e-01 -7.733160657e-02 3.70 -4.698977011e-01 -2.760505937e-01 -7.287179278e-02 3.72 -4.534075965e-01 -2.653651553e-01 -6.861908223e-02 3.74 -4.374155028e-01 -2.550492267e-01 -6.456525221e-02 3.76 -4.219095291e-01 -2.450914902e-01 -6.070238784e-02 3.78 -4.068778645e-01 -2.354809127e-01 -5.702287212e-02 3.80 -3.923087966e-01 -2.262067429e-01 -5.351937622e-02 3.82 -3.781907275e-01 -2.172585025e-01 -5.018483599e-02 3.84 -3.645121885e-01 -2.086257572e-01 -4.701199288e-02 3.86 -3.512618525e-01 -2.002985564e-01 -4.399426880e-02 3.88 -3.384285455e-01 -1.922673485e-01 -4.112559742e-02 3.90 -3.260012563e-01 -1.845228257e-01 -3.840011086e-02 3.92 -3.139691449e-01 -1.770559225e-01 -3.581213866e-02 3.94 -3.023215501e-01 -1.698578152e-01 -3.335620582e-02 3.96 -2.910479952e-01 -1.629199195e-01 -3.102703009e-02 3.98 -2.801381938e-01 -1.562338884e-01 -2.881951879e-02 4.00 -2.695820537e-01 -1.497916090e-01 -2.672876493e-02 4.02 -2.593696801e-01 -1.435851990e-01 -2.475004316e-02 4.04 -2.494913791e-01 -1.376070038e-01 -2.287880526e-02 4.06 -2.399376587e-01 -1.318495915e-01 -2.111067547e-02 4.08 -2.306992308e-01 -1.263057497e-01 -1.944144570e-02 4.10 -2.217670119e-01 -1.209684805e-01 -1.786707051e-02 4.12 -2.131321227e-01 -1.158309964e-01 -1.638366216e-02 4.14 -2.047858889e-01 -1.108867152e-01 -1.498748551e-02 4.16 -1.967198395e-01 -1.061292562e-01 -1.367495300e-02 4.18 -1.889257066e-01 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