# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Ahn-H-H-Hur-J-Xu-G-Ko-W-S--Mg-Sc # implementation = 2026--Ahn-H-H--Mg-Sc--LAMMPS--ipr1 # composition = Sc # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-08-31 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 2.054908297e+02 nan nan nan nan 0.80 nan nan nan nan nan 1.932384702e+02 nan nan nan nan 0.82 nan nan nan nan nan 1.816950399e+02 nan nan 2.167610645e+02 nan 0.84 nan nan nan nan nan 1.708198365e+02 nan nan 2.046881470e+02 nan 0.86 nan nan nan nan nan 1.605744855e+02 nan nan 1.932465236e+02 nan 0.88 nan nan nan nan nan 1.509228081e+02 nan nan 1.824040762e+02 nan 0.90 nan 1.931518031e+02 nan nan nan 1.418306951e+02 nan nan 1.721302922e+02 2.262466045e+02 0.92 nan 1.838000890e+02 nan nan nan 1.332659890e+02 1.975905949e+02 nan 1.623961858e+02 2.146843499e+02 0.94 nan 1.748679006e+02 nan nan nan 1.251983726e+02 1.879091068e+02 nan 1.531742233e+02 2.036759473e+02 0.96 nan 1.663368704e+02 nan nan nan 1.175992643e+02 1.786665438e+02 nan 1.444382512e+02 1.931955175e+02 0.98 nan 1.581894374e+02 1.967821744e+02 nan nan 1.104417183e+02 1.698436146e+02 nan 1.361634288e+02 1.832183809e+02 1.00 nan 1.504088105e+02 1.880371910e+02 nan 2.054258523e+02 1.037003321e+02 1.614218690e+02 1.963423705e+02 1.283261634e+02 1.737210010e+02 1.02 1.966469604e+02 1.429789337e+02 1.796526119e+02 1.965688709e+02 1.964910413e+02 9.735115812e+01 1.533836600e+02 1.876011615e+02 1.209040484e+02 1.646809316e+02 1.04 1.880521870e+02 1.358844529e+02 1.716138755e+02 1.879842818e+02 1.879166356e+02 9.137162066e+01 1.457121093e+02 1.792205062e+02 1.138758054e+02 1.560767661e+02 1.06 1.798054574e+02 1.291106845e+02 1.639070154e+02 1.797468129e+02 1.796884270e+02 8.574043766e+01 1.383910726e+02 1.711858601e+02 1.072212275e+02 1.478880894e+02 1.08 1.718929892e+02 1.226435858e+02 1.565186351e+02 1.718427504e+02 1.717927701e+02 8.043754692e+01 1.314051081e+02 1.634832694e+02 1.009211271e+02 1.400954319e+02 1.10 1.643015492e+02 1.164697262e+02 1.494358837e+02 1.642589252e+02 1.642165600e+02 7.544403640e+01 1.247394455e+02 1.560993460e+02 9.495728461e+01 1.326802257e+02 1.12 1.570184306e+02 1.105762602e+02 1.426464331e+02 1.569826904e+02 1.569472094e+02 7.074207860e+01 1.183799566e+02 1.490212438e+02 8.931240072e+01 1.256247632e+02 1.14 1.500314319e+02 1.049509018e+02 1.361384558e+02 1.500019000e+02 1.499726280e+02 6.631486864e+01 1.123131276e+02 1.422366363e+02 8.397005051e+01 1.189121570e+02 1.16 1.433288355e+02 9.958189935e+01 1.299006037e+02 1.433048886e+02 1.432812025e+02 6.214656581e+01 1.065260320e+02 1.357336951e+02 7.891463990e+01 1.125263025e+02 1.18 1.368993888e+02 9.445801265e+01 1.239219887e+02 1.368804519e+02 1.368617770e+02 5.822223850e+01 1.010063057e+02 1.295010688e+02 7.413136421e+01 1.064518414e+02 1.20 1.307322847e+02 8.956849012e+01 1.181921629e+02 1.307178281e+02 1.307036349e+02 5.452781229e+01 9.574212180e+01 1.235278639e+02 6.960616874e+01 1.006741272e+02 1.22 1.248171438e+02 8.490304755e+01 1.127011007e+02 1.248066799e+02 1.247964809e+02 5.105002090e+01 9.072216794e+01 1.178036257e+02 6.532571126e+01 9.517919284e+01 1.24 1.191439972e+02 8.045184761e+01 1.074391812e+02 1.191370776e+02 1.191304245e+02 4.777636002e+01 8.593562371e+01 1.123183203e+02 6.127732638e+01 8.995371895e+01 1.26 1.137032701e+02 7.620548036e+01 1.023971715e+02 1.136994827e+02 1.136959637e+02 4.469504372e+01 8.137213939e+01 1.070623174e+02 5.744899165e+01 8.498500407e+01 1.28 1.084857653e+02 7.215494460e+01 9.756621060e+01 1.084847321e+02 1.084839692e+02 4.179496336e+01 7.702181559e+01 1.020263736e+02 5.382929529e+01 8.026093623e+01 1.30 1.034826490e+02 6.829162999e+01 9.293779432e+01 1.034840234e+02 1.034856703e+02 3.906564884e+01 7.287518376e+01 9.720161691e+01 5.040740557e+01 7.576996568e+01 1.32 9.868543535e+01 6.460730012e+01 8.850376045e+01 9.868890023e+01 9.869263970e+01 3.649723206e+01 6.892318753e+01 9.257953151e+01 4.717304168e+01 7.150107901e+01 1.34 9.408597313e+01 6.109407612e+01 8.425627479e+01 9.409123846e+01 9.409678067e+01 3.408041243e+01 6.515716489e+01 8.815194309e+01 4.411644604e+01 6.744377438e+01 1.36 8.967643211e+01 5.774442121e+01 8.018781776e+01 8.968323319e+01 8.969031350e+01 3.180642439e+01 6.156883116e+01 8.391100513e+01 4.122835796e+01 6.358803793e+01 1.38 8.544929030e+01 5.455112572e+01 7.629117151e+01 8.545738586e+01 8.546576309e+01 2.966700677e+01 5.815026261e+01 7.984918556e+01 3.849998867e+01 5.992432126e+01 1.40 8.139732167e+01 5.150729296e+01 7.255940762e+01 8.140649220e+01 8.141594688e+01 2.765437386e+01 5.489388092e+01 7.595925399e+01 3.592299749e+01 5.644351997e+01 1.42 7.751358438e+01 4.860632555e+01 6.898587529e+01 7.752363049e+01 7.753396333e+01 2.576118817e+01 5.179243820e+01 7.223426950e+01 3.348946932e+01 5.313695313e+01 1.44 7.379140944e+01 4.584191248e+01 6.556419007e+01 7.380215043e+01 7.381318075e+01 2.398053474e+01 4.883900270e+01 6.866756890e+01 3.119189313e+01 4.999634378e+01 1.46 7.022438993e+01 4.320801660e+01 6.228822300e+01 7.023566233e+01 7.024722673e+01 2.230589691e+01 4.602694516e+01 6.525275556e+01 2.902314158e+01 4.701380024e+01 1.48 6.680637054e+01 4.069886282e+01 5.915209028e+01 6.681802686e+01 6.682997789e+01 2.073113343e+01 4.334992574e+01 6.198368859e+01 2.697645166e+01 4.418179836e+01 1.50 6.353143764e+01 3.830892666e+01 5.615014329e+01 6.354334513e+01 6.355555007e+01 1.925045697e+01 4.080188143e+01 5.885447254e+01 2.504540628e+01 4.149316452e+01 1.52 6.039390967e+01 3.603292343e+01 5.327695908e+01 6.040594920e+01 6.041828895e+01 1.785841378e+01 3.837701418e+01 5.585944751e+01 2.322391681e+01 3.894105942e+01 1.54 5.738832798e+01 3.386579780e+01 5.052733126e+01 5.740039296e+01 5.741276098e+01 1.654986452e+01 3.606977936e+01 5.299317964e+01 2.150620637e+01 3.651896270e+01 1.56 5.450944798e+01 3.180271386e+01 4.789626121e+01 5.452144342e+01 5.453374473e+01 1.531996621e+01 3.387487482e+01 5.025045206e+01 1.988679416e+01 3.422065813e+01 1.58 5.175223072e+01 2.983904560e+01 4.537894973e+01 5.176407227e+01 5.177622254e+01 1.416415522e+01 3.178723040e+01 4.762625608e+01 1.836048080e+01 3.204021961e+01 1.60 4.911183475e+01 2.797036782e+01 4.297078897e+01 4.912344786e+01 4.913537255e+01 1.307813118e+01 2.980199790e+01 4.511578291e+01 1.692233330e+01 2.997199772e+01 1.62 4.658360831e+01 2.619244744e+01 4.066735474e+01 4.659492742e+01 4.660656100e+01 1.205784188e+01 2.791454146e+01 4.271441557e+01 1.556767220e+01 2.801060696e+01 1.64 4.416308188e+01 2.450123514e+01 3.846439911e+01 4.417404969e+01 4.418533489e+01 1.109946845e+01 2.612042838e+01 4.041772122e+01 1.429205852e+01 2.615091351e+01 1.66 4.184596095e+01 2.289285743e+01 3.635784331e+01 4.185652776e+01 4.186741487e+01 1.019927481e+01 2.441542030e+01 3.822144377e+01 1.309128159e+01 2.438802362e+01 1.68 3.962811920e+01 2.136360903e+01 3.434377096e+01 3.963824221e+01 3.964868844e+01 9.354027677e+00 2.279546480e+01 3.612149678e+01 1.196134747e+01 2.271727249e+01 1.70 3.750559180e+01 1.990994556e+01 3.241842155e+01 3.751523457e+01 3.752520348e+01 8.560593573e+00 2.125668740e+01 3.411395672e+01 1.089846781e+01 2.113421369e+01 1.72 3.547456913e+01 1.852847662e+01 3.057818416e+01 3.548370097e+01 3.549316189e+01 7.815886813e+00 1.979538374e+01 3.219505638e+01 9.899036396e+00 1.963460902e+01 1.74 3.353139061e+01 1.721595907e+01 2.881959150e+01 3.353998612e+01 3.354891365e+01 7.117071290e+00 1.840801226e+01 3.036117865e+01 8.959666277e+00 1.821441891e+01 1.76 3.167253893e+01 1.596929040e+01 2.713931417e+01 3.168057749e+01 3.168895102e+01 6.461474729e+00 1.709118684e+01 2.860885053e+01 8.077123886e+00 1.686979317e+01 1.78 2.989463433e+01 1.478550361e+01 2.553415510e+01 2.990209968e+01 2.990990293e+01 5.846579250e+00 1.584167155e+01 2.693473736e+01 7.248339652e+00 1.559706230e+01 1.80 2.819442928e+01 1.366176044e+01 2.400104431e+01 2.820130910e+01 2.820852975e+01 5.270012470e+00 1.465637178e+01 2.533563731e+01 6.470407557e+00 1.439272903e+01 1.82 2.656880326e+01 1.259534549e+01 2.253703383e+01 2.657508879e+01 2.658171808e+01 4.729539112e+00 1.353232929e+01 2.380847606e+01 5.740571992e+00 1.325346040e+01 1.84 2.501475780e+01 1.158366160e+01 2.113929279e+01 2.502044348e+01 2.502647584e+01 4.223053101e+00 1.246671642e+01 2.235030174e+01 5.056217527e+00 1.217608012e+01 1.86 2.352941167e+01 1.062422266e+01 1.980510283e+01 2.353449484e+01 2.353992762e+01 3.748570114e+00 1.145683220e+01 2.095828002e+01 4.414769519e+00 1.115756132e+01 1.88 2.210999634e+01 9.714658343e+00 1.853185355e+01 2.211447693e+01 2.211931005e+01 3.304220547e+00 1.050009248e+01 1.962968949e+01 3.813781772e+00 1.019501958e+01 1.90 2.075385152e+01 8.852693388e+00 1.731703826e+01 2.075773177e+01 2.076196747e+01 2.888242901e+00 9.594028282e+00 1.836191710e+01 3.251471316e+00 9.285706400e+00 1.92 1.945842098e+01 8.036154336e+00 1.615824935e+01 1.946170519e+01 1.946534774e+01 2.498977542e+00 8.736279837e+00 1.715245387e+01 2.725441316e+00 8.427002810e+00 1.94 1.822124844e+01 7.262962413e+00 1.505317415e+01 1.822394270e+01 1.822699821e+01 2.134860810e+00 7.924591793e+00 1.599889078e+01 2.233681280e+00 7.616413409e+00 1.96 1.703997369e+01 6.531129444e+00 1.399959658e+01 1.704208578e+01 1.704456200e+01 1.794419487e+00 7.156803399e+00 1.489891478e+01 1.774420685e+00 6.851560615e+00 1.98 1.591232885e+01 5.838753945e+00 1.299538320e+01 1.591386789e+01 1.591577399e+01 1.476265484e+00 6.430846300e+00 1.385030469e+01 1.345792314e+00 6.130179189e+00 2.00 1.483613474e+01 5.184017380e+00 1.203848725e+01 1.483711113e+01 1.483845747e+01 1.179091144e+00 5.744783333e+00 1.285092644e+01 9.460927402e-01 5.450111021e+00 2.02 1.380929720e+01 4.565180590e+00 1.112694328e+01 1.380972236e+01 1.381052026e+01 9.016644458e-01 5.096717239e+00 1.189873661e+01 5.736909101e-01 4.809240319e+00 2.04 1.282980246e+01 3.980580365e+00 1.025886392e+01 1.282968839e+01 1.282994933e+01 6.428245580e-01 4.484851002e+00 1.099176741e+01 2.266088414e-01 4.205137935e+00 2.06 1.189572136e+01 3.428626173e+00 9.432436849e+00 1.189508165e+01 1.189481969e+01 4.014778338e-01 3.907467655e+00 1.012813147e+01 -9.592324981e-02 3.636975498e+00 2.08 1.100519438e+01 2.907797029e+00 8.645921829e+00 1.100404279e+01 1.100327174e+01 1.765938970e-01 3.362926798e+00 9.306016692e+00 -3.954127807e-01 3.102482495e+00 2.10 1.015643666e+01 2.416638505e+00 7.897647825e+00 1.015478752e+01 1.015352165e+01 -3.279802031e-02 2.849661265e+00 8.523681949e+00 -6.732716055e-01 2.599957298e+00 2.12 9.347733306e+00 1.953759422e+00 7.186010296e+00 9.345601341e+00 9.343855385e+00 -2.276125241e-01 2.366173936e+00 7.779450774e+00 -9.306851140e-01 2.127787649e+00 2.14 8.577436604e+00 1.517828781e+00 6.509468569e+00 8.574836882e+00 8.572625888e+00 -4.074694662e-01 1.911034684e+00 7.071734596e+00 -1.168818126e+00 1.684438023e+00 2.16 7.843963427e+00 1.107577266e+00 5.866543318e+00 7.840911256e+00 7.838250518e+00 -5.623951683e-01 1.482872763e+00 6.398986287e+00 -1.388798725e+00 1.268446053e+00 2.18 7.145792720e+00 7.217887157e-01 5.255814155e+00 7.142303575e+00 7.139208550e+00 -7.192875493e-01 1.080370302e+00 5.759727800e+00 -1.591656401e+00 8.784191247e-01 2.20 6.481462921e+00 3.593011284e-01 4.675917303e+00 6.477552523e+00 6.474038865e+00 -8.673908217e-01 7.023103788e-01 5.152535497e+00 -1.778480378e+00 5.130308181e-01 2.22 5.849546961e+00 1.902316018e-02 4.125543369e+00 5.845248449e+00 5.841343847e+00 -1.004581761e+00 3.474921057e-01 4.576005826e+00 -1.950515897e+00 1.709604969e-01 2.24 5.248676197e+00 -3.001318619e-01 3.603435213e+00 5.244030994e+00 5.239769864e+00 -1.131502035e+00 1.477899431e-02 4.028888117e+00 -2.107947616e+00 -1.490861716e-01 2.26 4.677651108e+00 -5.992179315e-01 3.108385885e+00 4.672634611e+00 4.668004689e+00 -1.248756905e+00 -2.969140653e-01 3.509940987e+00 -2.251912244e+00 -4.479682207e-01 2.28 4.135173957e+00 -8.791615023e-01 2.639236658e+00 4.129801366e+00 4.124817830e+00 -1.356917281e+00 -5.885598206e-01 3.017935548e+00 -2.383206462e+00 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