# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni # implementation = 2025--Sharifi-H--Fe-Ni--LAMMPS--ipr1 # composition = FeNi3 # 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 2025-07-01 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 9.038119866e+02 nan nan 0.92 8.297066049e+02 nan nan 0.94 7.616037173e+02 nan nan 0.96 6.987458098e+02 nan nan 0.98 6.405762036e+02 7.919455956e+02 nan 1.00 5.866773901e+02 7.314663746e+02 nan 1.02 5.367167105e+02 6.760942107e+02 8.836559220e+02 1.04 4.902716348e+02 6.247116113e+02 8.218793814e+02 1.06 4.470950247e+02 5.767165110e+02 7.638271382e+02 1.08 4.070307857e+02 5.317997126e+02 7.090980548e+02 1.10 3.699344737e+02 4.897303907e+02 6.574117343e+02 1.12 3.356663462e+02 4.503317105e+02 6.085723657e+02 1.14 3.040874183e+02 4.134628375e+02 5.624413592e+02 1.16 2.750575864e+02 3.790058616e+02 5.189168830e+02 1.18 2.484351403e+02 3.468565383e+02 4.779188910e+02 1.20 2.240771599e+02 3.169179368e+02 4.393784439e+02 1.22 2.018404328e+02 2.890962824e+02 4.032303645e+02 1.24 1.815826239e+02 2.632984245e+02 3.694084452e+02 1.26 1.631635181e+02 2.394304809e+02 3.378425718e+02 1.28 1.464462158e+02 2.173973145e+02 3.084572633e+02 1.30 1.312982030e+02 1.971025731e+02 2.811712259e+02 1.32 1.175922586e+02 1.784490904e+02 2.558976085e+02 1.34 1.052071763e+02 1.613394997e+02 2.325447202e+02 1.36 9.402830275e+01 1.456769472e+02 2.110170237e+02 1.38 8.394789968e+01 1.313658298e+02 1.912162689e+02 1.40 7.486534299e+01 1.183125011e+02 1.730426634e+02 1.42 6.668718220e+01 1.064259125e+02 1.563960101e+02 1.44 5.932708084e+01 9.561816832e+01 1.411767618e+02 1.46 5.270565828e+01 8.580498471e+01 1.272869665e+02 1.48 4.675025285e+01 7.690604969e+01 1.146310884e+02 1.50 4.139462690e+01 6.884528733e+01 1.031166973e+02 1.52 3.657862737e+01 6.155103268e+01 9.265502543e+01 1.54 3.224781792e+01 5.495612499e+01 8.316139768e+01 1.56 2.835309383e+01 4.899792719e+01 7.455554219e+01 1.58 2.485028992e+01 4.361828808e+01 6.676179629e+01 1.60 2.169978772e+01 3.876345190e+01 5.970921806e+01 1.62 1.886613383e+01 3.438392512e+01 5.333161776e+01 1.64 1.631767865e+01 3.043431033e+01 4.756752095e+01 1.66 1.402617359e+01 2.687311453e+01 4.236007427e+01 1.68 1.196627440e+01 2.366253846e+01 3.765690672e+01 1.70 1.011521891e+01 2.076823176e+01 3.340995505e+01 1.72 8.452599673e+00 1.815904185e+01 2.957526226e+01 1.74 6.960132387e+00 1.580679082e+01 2.611275826e+01 1.76 5.621344368e+00 1.368603574e+01 2.298602706e+01 1.78 4.421336151e+00 1.177379497e+01 2.016206735e+01 1.80 3.346636620e+00 1.004933720e+01 1.761105067e+01 1.82 2.385073481e+00 8.494007133e+00 1.530608880e+01 1.84 1.525654269e+00 7.091055554e+00 1.322300344e+01 1.86 7.584571187e-01 5.825475792e+00 1.134010200e+01 1.88 7.453063074e-02 4.683848337e+00 9.637962611e+00 1.90 -5.341976600e-01 3.654194876e+00 8.099230626e+00 1.92 -1.075004955e+00 2.725841476e+00 6.708426646e+00 1.94 -1.554449523e+00 1.889286083e+00 5.451759115e+00 1.96 -1.978440224e+00 1.136036458e+00 4.316891124e+00 1.98 -2.352299803e+00 4.584704433e-01 3.292739290e+00 2.00 -2.680822420e+00 -1.502543987e-01 2.369345340e+00 2.02 -2.968327995e+00 -6.962857513e-01 1.537754784e+00 2.04 -3.218726122e+00 -1.185193746e+00 7.898463709e-01 2.06 -3.435549892e+00 -1.622062078e+00 1.181999536e-01 2.08 -3.621985879e+00 -2.011532825e+00 -4.839668421e-01 2.10 -3.780934183e+00 -2.357845884e+00 -1.022852687e+00 2.12 -3.915036257e+00 -2.664875263e+00 -1.504121986e+00 2.14 -4.026697831e+00 -2.936158030e+00 -1.932950230e+00 2.16 -4.118110997e+00 -3.174923052e+00 -2.314065573e+00 2.18 -4.191281917e+00 -3.384112495e+00 -2.651786837e+00 2.20 -4.248040956e+00 -3.566400927e+00 -2.950058398e+00 2.22 -4.290052729e+00 -3.724230152e+00 -3.212482116e+00 2.24 -4.318830905e+00 -3.859831006e+00 -3.442346538e+00 2.26 -4.335751754e+00 -3.975241514e+00 -3.642653699e+00 2.28 -4.342066469e+00 -4.072323453e+00 -3.816143625e+00 2.30 -4.338912391e+00 -4.152777503e+00 -3.965316760e+00 2.32 -4.327323235e+00 -4.218157119e+00 -4.092454540e+00 2.34 -4.308238398e+00 -4.269881190e+00 -4.199638175e+00 2.36 -4.282511426e+00 -4.309245629e+00 -4.288765874e+00 2.38 -4.250917737e+00 -4.337433973e+00 -4.361568610e+00 2.40 -4.214161637e+00 -4.355527059e+00 -4.419624524e+00 2.42 -4.172882713e+00 -4.364513648e+00 -4.464374765e+00 2.44 -4.127661652e+00 -4.365301680e+00 -4.497140289e+00 2.46 -4.079025530e+00 -4.358720417e+00 -4.519125038e+00 2.48 -4.027452630e+00 -4.345526202e+00 -4.531424543e+00 2.50 -3.973376666e+00 -4.326408410e+00 -4.535034808e+00 2.52 -3.917187593e+00 -4.301986785e+00 -4.530848302e+00 2.54 -3.859236016e+00 -4.272818857e+00 -4.519665055e+00 2.56 -3.799840076e+00 -4.239414367e+00 -4.502214296e+00 2.58 -3.739288454e+00 -4.202239721e+00 -4.479161122e+00 2.60 -3.677842950e+00 -4.161721680e+00 -4.451112030e+00 2.62 -3.615740831e+00 -4.118250719e+00 -4.418619962e+00 2.64 -3.553196965e+00 -4.072184103e+00 -4.382188925e+00 2.66 -3.490405749e+00 -4.023848708e+00 -4.342278223e+00 2.68 -3.427542869e+00 -3.973543583e+00 -4.299306319e+00 2.70 -3.364766894e+00 -3.921542305e+00 -4.253654370e+00 2.72 -3.302220713e+00 -3.868095123e+00 -4.205669464e+00 2.74 -3.240032848e+00 -3.813430919e+00 -4.155667573e+00 2.76 -3.178318637e+00 -3.757759001e+00 -4.103936253e+00 2.78 -3.117181302e+00 -3.701270739e+00 -4.050737118e+00 2.80 -3.056712926e+00 -3.644141055e+00 -3.996308092e+00 2.82 -2.996995319e+00 -3.586529791e+00 -3.940865474e+00 2.84 -2.938101103e+00 -3.528582949e+00 -3.884605820e+00 2.86 -2.880110062e+00 -3.470433832e+00 -3.827707662e+00 2.88 -2.823116938e+00 -3.412204071e+00 -3.770333082e+00 2.90 -2.767056130e+00 -3.354004576e+00 -3.712629142e+00 2.92 -2.712010010e+00 -3.295936395e+00 -3.654729196e+00 2.94 -2.658029246e+00 -3.238091494e+00 -3.596754081e+00 2.96 -2.605142170e+00 -3.180553476e+00 -3.538813206e+00 2.98 -2.553371421e+00 -3.123398228e+00 -3.481005550e+00 3.00 -2.502734315e+00 -3.066694511e+00 -3.423420560e+00 3.02 -2.453243176e+00 -3.010504749e+00 -3.366138980e+00 3.04 -2.404905642e+00 -2.954888113e+00 -3.309233602e+00 3.06 -2.357724952e+00 -2.899896222e+00 -3.252769947e+00 3.08 -2.311700212e+00 -2.845561597e+00 -3.196806891e+00 3.10 -2.266826638e+00 -2.791932466e+00 -3.141397227e+00 3.12 -2.223095787e+00 -2.739044728e+00 -3.086588181e+00 3.14 -2.180495767e+00 -2.686929864e+00 -3.032421878e+00 3.16 -2.139011426e+00 -2.635615381e+00 -2.978935769e+00 3.18 -2.098624527e+00 -2.585125052e+00 -2.926163008e+00 3.20 -2.059313898e+00 -2.535479152e+00 -2.874132805e+00 3.22 -2.021055561e+00 -2.486694658e+00 -2.822870742e+00 3.24 -1.983822840e+00 -2.438785444e+00 -2.772399050e+00 3.26 -1.947586449e+00 -2.391762449e+00 -2.722736876e+00 3.28 -1.912314567e+00 -2.345633846e+00 -2.673900505e+00 3.30 -1.877972910e+00 -2.300405187e+00 -2.625903572e+00 3.32 -1.844524800e+00 -2.256079544e+00 -2.578757251e+00 3.34 -1.811931269e+00 -2.212657648e+00 -2.532470420e+00 3.36 -1.780151195e+00 -2.170138010e+00 -2.487049810e+00 3.38 -1.749141503e+00 -2.128517048e+00 -2.442500144e+00 3.40 -1.718857446e+00 -2.087789203e+00 -2.398824251e+00 3.42 -1.689252986e+00 -2.047947055e+00 -2.356023177e+00 3.44 -1.660281281e+00 -2.008981434e+00 -2.314096277e+00 3.46 -1.631895280e+00 -1.970881527e+00 -2.273041302e+00 3.48 -1.604048413e+00 -1.933634980e+00 -2.232855305e+00 3.50 -1.576695358e+00 -1.897228000e+00 -2.193554898e+00 3.52 -1.549792845e+00 -1.861645439e+00 -2.155189104e+00 3.54 -1.523300455e+00 -1.826870888e+00 -2.117656345e+00 3.56 -1.497181365e+00 -1.792886746e+00 -2.080882947e+00 3.58 -1.471402995e+00 -1.759674291e+00 -2.044937060e+00 3.60 -1.445937500e+00 -1.727213744e+00 -2.009806918e+00 3.62 -1.420762092e+00 -1.695484323e+00 -1.975479575e+00 3.64 -1.395859161e+00 -1.664464296e+00 -1.941940932e+00 3.66 -1.371216192e+00 -1.634131043e+00 -1.909175777e+00 3.68 -1.346825496e+00 -1.604461116e+00 -1.877167821e+00 3.70 -1.322683771e+00 -1.575430327e+00 -1.845899731e+00 3.72 -1.298791540e+00 -1.547013844e+00 -1.815353170e+00 3.74 -1.275152493e+00 -1.519186329e+00 -1.785508844e+00 3.76 -1.251772795e+00 -1.491922105e+00 -1.756346540e+00 3.78 -1.228660386e+00 -1.465195362e+00 -1.727845187e+00 3.80 -1.205824311e+00 -1.438980400e+00 -1.699982911e+00 3.82 -1.183274127e+00 -1.413251901e+00 -1.672737102e+00 3.84 -1.161019378e+00 -1.387985237e+00 -1.646084495e+00 3.86 -1.139069178e+00 -1.363156779e+00 -1.620001253e+00 3.88 -1.117431886e+00 -1.338744211e+00 -1.594463073e+00 3.90 -1.096114880e+00 -1.314726821e+00 -1.569445291e+00 3.92 -1.075124422e+00 -1.291085759e+00 -1.544923017e+00 3.94 -1.054465591e+00 -1.267804245e+00 -1.520871266e+00 3.96 -1.034142283e+00 -1.244867710e+00 -1.497265119e+00 3.98 -1.014157261e+00 -1.222263867e+00 -1.474079884e+00 4.00 -9.945122321e-01 -1.199982705e+00 -1.451291277e+00 4.02 -9.748364608e-01 -1.178016416e+00 -1.428875604e+00 4.04 -9.500410624e-01 -1.156359246e+00 -1.406809957e+00 4.06 -9.091442336e-01 -1.135007294e+00 -1.385072403e+00 4.08 -8.602259282e-01 -1.113958275e+00 -1.363642174e+00 4.10 -8.430198904e-01 -1.093211239e+00 -1.342499850e+00 4.12 -8.269766720e-01 -1.072766295e+00 -1.321627522e+00 4.14 -8.112417510e-01 -1.052624323e+00 -1.301008940e+00 4.16 -7.958107575e-01 -1.032786705e+00 -1.280629636e+00 4.18 -7.806792785e-01 -1.013255080e+00 -1.260477011e+00 4.20 -7.658428662e-01 -9.940311309e-01 -1.240540390e+00 4.22 -7.512970460e-01 -9.751164025e-01 -1.220811050e+00 4.24 -7.370373225e-01 -9.565121617e-01 -1.201282189e+00 4.26 -7.230591860e-01 -9.381020380e-01 -1.181948881e+00 4.28 -7.093581185e-01 -9.175015651e-01 -1.162807974e+00 4.30 -6.959295986e-01 -8.874101860e-01 -1.143857966e+00 4.32 -6.827691067e-01 -8.412210512e-01 -1.125098853e+00 4.34 -6.698721297e-01 -8.150328565e-01 -1.106531944e+00 4.36 -6.572341654e-01 -7.996626222e-01 -1.088159672e+00 4.38 -6.448507265e-01 -7.845744618e-01 -1.069985384e+00 4.40 -6.321374068e-01 -7.697652128e-01 -1.052013135e+00 4.42 -6.081977295e-01 -7.552315462e-01 -1.034247477e+00 4.44 -5.326260036e-01 -7.409699971e-01 -1.016693265e+00 4.46 -3.132984139e-01 -7.269769913e-01 -9.993554719e-01 4.48 -1.017446292e-01 -7.132488696e-01 -9.822390221e-01 4.50 -9.874059958e-02 -6.997819076e-01 -9.653486454e-01 4.52 -9.582341603e-02 -6.865723326e-01 -9.486887556e-01 4.54 -9.299057805e-02 -6.736163377e-01 -9.322633516e-01 4.56 -9.023966001e-02 -6.609100935e-01 -9.160759421e-01 4.58 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-6.653751007e-01 4.94 -4.859943802e-02 -4.507267993e-01 -6.404998120e-01 4.96 -3.889689693e-02 -3.945775270e-01 -5.668532911e-01 4.98 -1.931815683e-02 -2.427790381e-01 -3.567372406e-01 5.00 -1.538773585e-23 -2.150183906e-22 -2.284448916e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 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