# 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 = Mg # 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 1.596366210e+02 nan nan nan nan 0.80 nan nan nan nan nan 1.514848948e+02 nan nan nan nan 0.82 nan nan nan nan nan 1.437351791e+02 nan nan 1.930823778e+02 nan 0.84 nan nan nan nan nan 1.363677072e+02 nan nan 1.819947923e+02 nan 0.86 nan nan nan nan nan 1.293637092e+02 nan nan 1.715256039e+02 nan 0.88 nan nan nan nan nan 1.227053589e+02 nan nan 1.616406386e+02 nan 0.90 nan 2.782949219e+02 nan nan nan 1.163757237e+02 nan nan 1.523076106e+02 1.975202099e+02 0.92 nan 2.622785345e+02 nan nan nan 1.103587175e+02 2.193176619e+02 nan 1.434960174e+02 1.870204825e+02 0.94 nan 2.471377740e+02 nan nan nan 1.046390565e+02 2.071181766e+02 nan 1.351770408e+02 1.770585304e+02 0.96 nan 2.328264203e+02 nan nan nan 9.920221676e+01 1.955701137e+02 nan 1.273234536e+02 1.676072260e+02 0.98 nan 2.193006246e+02 2.721535989e+02 nan nan 9.403439514e+01 1.846394291e+02 nan 1.199095313e+02 1.586408051e+02 1.00 nan 2.065187905e+02 2.577111102e+02 nan 2.710007167e+02 8.912247170e+01 1.742938352e+02 2.574641603e+02 1.129109689e+02 1.501347980e+02 1.02 2.572780578e+02 1.944414612e+02 2.439964818e+02 2.572692018e+02 2.572603458e+02 8.445397449e+01 1.645027108e+02 2.441121950e+02 1.063048022e+02 1.420659640e+02 1.04 2.441967615e+02 1.830312124e+02 2.309742835e+02 2.441879621e+02 2.441791626e+02 8.001704628e+01 1.552370161e+02 2.314150519e+02 1.000693338e+02 1.344122297e+02 1.06 2.317442119e+02 1.722525500e+02 2.186107625e+02 2.317354692e+02 2.317267264e+02 7.580041296e+01 1.464692112e+02 2.193418191e+02 9.418406258e+01 1.271526303e+02 1.08 2.198913318e+02 1.620718134e+02 2.068737660e+02 2.198826458e+02 2.198739599e+02 7.179335389e+01 1.381731799e+02 2.078630003e+02 8.862961807e+01 1.202672536e+02 1.10 2.086103476e+02 1.524570827e+02 1.957326673e+02 2.086017186e+02 2.085930895e+02 6.798567368e+01 1.303241561e+02 1.969504515e+02 8.338769748e+01 1.137371871e+02 1.12 1.978747330e+02 1.433780915e+02 1.851582948e+02 1.978661609e+02 1.978575889e+02 6.436767558e+01 1.228986552e+02 1.865773206e+02 7.844100688e+01 1.075444677e+02 1.14 1.876591537e+02 1.348061431e+02 1.751228646e+02 1.876506387e+02 1.876421237e+02 6.093013634e+01 1.158744080e+02 1.767179894e+02 7.377320548e+01 1.016720341e+02 1.16 1.779394159e+02 1.267140314e+02 1.655999162e+02 1.779309581e+02 1.779225003e+02 5.766428230e+01 1.092302987e+02 1.673480190e+02 6.936885289e+01 9.610368144e+01 1.18 1.686924160e+02 1.190759657e+02 1.565642510e+02 1.686840153e+02 1.686756147e+02 5.456176685e+01 1.029463054e+02 1.584440962e+02 6.521335949e+01 9.082401803e+01 1.20 1.598960926e+02 1.118674983e+02 1.479918735e+02 1.598877492e+02 1.598794058e+02 5.161464908e+01 9.700344438e+01 1.499839835e+02 6.129293941e+01 8.581842491e+01 1.22 1.515293811e+02 1.050654575e+02 1.398599353e+02 1.515210950e+02 1.515128090e+02 4.881537354e+01 9.138371633e+01 1.419464705e+02 5.759456622e+01 8.107301676e+01 1.24 1.435721697e+02 9.864788162e+01 1.321466818e+02 1.435639410e+02 1.435557122e+02 4.615675101e+01 8.607005623e+01 1.343113280e+02 5.410593099e+01 7.657460521e+01 1.26 1.360052576e+02 9.259395853e+01 1.248314007e+02 1.359970862e+02 1.359889148e+02 4.363194044e+01 8.104628516e+01 1.270592637e+02 5.081540279e+01 7.231066387e+01 1.28 1.288103145e+02 8.688396645e+01 1.178943740e+02 1.288022006e+02 1.287940866e+02 4.123443161e+01 7.629706480e+01 1.201718800e+02 4.771199124e+01 6.826929505e+01 1.30 1.219698429e+02 8.149921866e+01 1.113168309e+02 1.219617863e+02 1.219537297e+02 3.895802888e+01 7.180785428e+01 1.136316335e+02 4.478531126e+01 6.443919833e+01 1.32 1.154671405e+02 7.642201063e+01 1.050809038e+02 1.154591414e+02 1.154511422e+02 3.679683569e+01 6.756486910e+01 1.074217968e+02 4.202554970e+01 6.080964055e+01 1.34 1.092862658e+02 7.163556979e+01 9.916958559e+01 1.092783241e+02 1.092703824e+02 3.474523987e+01 6.355504228e+01 1.015264214e+02 3.942343381e+01 5.737042742e+01 1.36 1.034120041e+02 6.712400792e+01 9.356668987e+01 1.034041198e+02 1.033962355e+02 3.279789973e+01 5.976598744e+01 9.593030235e+01 3.697020155e+01 5.411187651e+01 1.38 9.782983509e+01 6.287227572e+01 8.825681187e+01 9.782200822e+01 9.781418136e+01 3.094973083e+01 5.618596370e+01 9.061894476e+01 3.465757340e+01 5.102479159e+01 1.40 9.252590258e+01 5.886611986e+01 8.322529188e+01 9.251813313e+01 9.251036369e+01 2.919589340e+01 5.280384253e+01 8.557853148e+01 3.247772582e+01 4.810043830e+01 1.42 8.748698464e+01 5.509204205e+01 7.845818022e+01 8.747927261e+01 8.747156058e+01 2.753178054e+01 4.960907615e+01 8.079589239e+01 3.042326621e+01 4.533052104e+01 1.44 8.270046551e+01 5.153726018e+01 7.394220368e+01 8.269281088e+01 8.268515625e+01 2.595300677e+01 4.659166759e+01 7.625847492e+01 2.848720914e+01 4.270716095e+01 1.46 7.815430865e+01 4.818967145e+01 6.966473363e+01 7.814671141e+01 7.813911416e+01 2.445539743e+01 4.374214231e+01 7.195431601e+01 2.666295396e+01 4.022287512e+01 1.48 7.383703094e+01 4.503781728e+01 6.561375561e+01 7.382949106e+01 7.382195118e+01 2.303497839e+01 4.105152127e+01 6.787201520e+01 2.494426369e+01 3.787055673e+01 1.50 6.973767793e+01 4.207085008e+01 6.177784020e+01 6.973019539e+01 6.972271286e+01 2.168796642e+01 3.851129529e+01 6.400070896e+01 2.332524498e+01 3.564345623e+01 1.52 6.584580032e+01 3.927850158e+01 5.814611535e+01 6.583837511e+01 6.583094989e+01 2.041075996e+01 3.611340087e+01 6.033004620e+01 2.180032922e+01 3.353516351e+01 1.54 6.215143133e+01 3.665105286e+01 5.470823999e+01 6.214406341e+01 6.213669549e+01 1.919993037e+01 3.385019712e+01 5.685016478e+01 2.036425474e+01 3.153959088e+01 1.56 5.864506508e+01 3.417930581e+01 5.145437873e+01 5.863775442e+01 5.863044377e+01 1.805221364e+01 3.171444390e+01 5.355166918e+01 1.901204988e+01 2.965095694e+01 1.58 5.531763599e+01 3.185455610e+01 4.837517793e+01 5.531038256e+01 5.530312914e+01 1.696450249e+01 2.969928118e+01 5.042560905e+01 1.773901712e+01 2.786377132e+01 1.60 5.216049898e+01 2.966856745e+01 4.546174270e+01 5.215330275e+01 5.214610652e+01 1.593383881e+01 2.779820929e+01 4.746345878e+01 1.654071795e+01 2.617282006e+01 1.62 4.916541056e+01 2.761354726e+01 4.270561506e+01 4.915827150e+01 4.915113244e+01 1.495740658e+01 2.600507030e+01 4.465709802e+01 1.541295873e+01 2.457315182e+01 1.64 4.632451084e+01 2.568212345e+01 4.009875312e+01 4.631742890e+01 4.631034697e+01 1.403252504e+01 2.431403033e+01 4.199879297e+01 1.435177716e+01 2.306006478e+01 1.66 4.363030616e+01 2.386732247e+01 3.763351118e+01 4.362328131e+01 4.361625647e+01 1.315664223e+01 2.271956278e+01 3.948117859e+01 1.335342963e+01 2.162909408e+01 1.68 4.107565263e+01 2.216254843e+01 3.530262078e+01 4.106868483e+01 4.106171703e+01 1.232732887e+01 2.121643233e+01 3.709724159e+01 1.241437919e+01 2.027600009e+01 1.70 3.865374033e+01 2.056156333e+01 3.309917266e+01 3.864682953e+01 3.863991873e+01 1.154227246e+01 1.979967992e+01 3.484030416e+01 1.153128423e+01 1.899675705e+01 1.72 3.635807814e+01 1.905846823e+01 3.101659951e+01 3.635122431e+01 3.634437048e+01 1.079927177e+01 1.846460833e+01 3.270400844e+01 1.070098772e+01 1.778754243e+01 1.74 3.418247943e+01 1.764768544e+01 2.904865957e+01 3.417568251e+01 3.416888560e+01 1.009623149e+01 1.720676866e+01 3.068230174e+01 9.920507094e+00 1.664472677e+01 1.76 3.212104813e+01 1.632394159e+01 2.718942097e+01 3.211430808e+01 3.210756804e+01 9.431157256e+00 1.602194736e+01 2.876942231e+01 9.187024694e+00 1.556486401e+01 1.78 3.016816560e+01 1.508225158e+01 2.543324681e+01 3.016148239e+01 3.015479917e+01 8.802150778e+00 1.490615404e+01 2.695988588e+01 8.497878686e+00 1.454468232e+01 1.80 2.831847804e+01 1.391790335e+01 2.377478097e+01 2.831185160e+01 2.830522516e+01 8.207405328e+00 1.385560985e+01 2.524847272e+01 7.850554531e+00 1.358107543e+01 1.82 2.656688435e+01 1.282644340e+01 2.220893451e+01 2.656031464e+01 2.655374493e+01 7.645201367e+00 1.286673643e+01 2.363021533e+01 7.242676889e+00 1.267109428e+01 1.84 2.490852468e+01 1.180366313e+01 2.073087281e+01 2.490201165e+01 2.489549862e+01 7.113902403e+00 1.193614554e+01 2.210038665e+01 6.672001981e+00 1.181193922e+01 1.86 2.333876941e+01 1.084558580e+01 1.933600322e+01 2.333231301e+01 2.332585661e+01 6.611951061e+00 1.106062908e+01 2.065448887e+01 6.136410374e+00 1.100095253e+01 1.88 2.185320859e+01 9.948454218e+00 1.801996336e+01 2.184680877e+01 2.184040894e+01 6.137865316e+00 1.023714975e+01 1.928824264e+01 5.633900148e+00 1.023561128e+01 1.90 2.044764190e+01 9.108719028e+00 1.677860994e+01 2.044129860e+01 2.043495531e+01 5.690234920e+00 9.462832103e+00 1.799757687e+01 5.162580449e+00 9.513520636e+00 1.92 1.911806906e+01 8.323027631e+00 1.560800809e+01 1.911178223e+01 1.910549541e+01 5.267718001e+00 8.734954088e+00 1.677861898e+01 4.720665393e+00 8.832407422e+00 1.94 1.786068060e+01 7.588213665e+00 1.450442126e+01 1.785445019e+01 1.784821978e+01 4.869037809e+00 8.050939055e+00 1.562768550e+01 4.306468299e+00 8.190114035e+00 1.96 1.667184912e+01 6.901287026e+00 1.346430153e+01 1.666567508e+01 1.665950103e+01 4.492979634e+00 7.408348138e+00 1.454127324e+01 3.918396247e+00 7.584592669e+00 1.98 1.554812092e+01 6.259424425e+00 1.248428039e+01 1.554200318e+01 1.553588544e+01 4.138387855e+00 6.804873046e+00 1.351605074e+01 3.554944925e+00 7.013899812e+00 2.00 1.448620793e+01 5.659960415e+00 1.156116001e+01 1.448014644e+01 1.447408495e+01 3.804163136e+00 6.238329221e+00 1.254885020e+01 3.214693764e+00 6.476191018e+00 2.02 1.348298012e+01 5.100378901e+00 1.069190485e+01 1.347697482e+01 1.347096953e+01 3.489259756e+00 5.706649357e+00 1.163665972e+01 2.896301340e+00 5.969715957e+00 2.04 1.253545815e+01 4.578305086e+00 9.873633729e+00 1.252950899e+01 1.252355983e+01 3.192683059e+00 5.207877242e+00 1.077661590e+01 2.598501020e+00 5.492813685e+00 2.06 1.164080641e+01 4.091497833e+00 9.103612236e+00 1.163491333e+01 1.162902025e+01 2.913487024e+00 4.740161928e+00 9.965996847e+00 2.320096856e+00 5.043908167e+00 2.08 1.079632635e+01 3.637842442e+00 8.379245525e+00 1.079048929e+01 1.078465224e+01 2.650771962e+00 4.301752206e+00 9.202215398e+00 2.059959703e+00 4.621504030e+00 2.10 9.999450103e+00 3.215343783e+00 7.698071427e+00 9.993669004e+00 9.987887907e+00 2.403682303e+00 3.890991349e+00 8.482812737e+00 1.817023538e+00 4.224182497e+00 2.12 9.247734389e+00 2.822119815e+00 7.057753925e+00 9.242009191e+00 9.236283995e+00 2.171404497e+00 3.506312151e+00 7.805452276e+00 1.590281993e+00 3.850597560e+00 2.14 8.538854738e+00 2.456395420e+00 6.456076916e+00 8.533185381e+00 8.527516026e+00 1.953165017e+00 3.146232202e+00 7.167913811e+00 1.378785076e+00 3.499472319e+00 2.16 7.870599912e+00 2.116496581e+00 5.890938274e+00 7.864986336e+00 7.859372761e+00 1.748228408e+00 2.809349422e+00 6.568087960e+00 1.181636064e+00 3.169595509e+00 2.18 7.240866632e+00 1.800844858e+00 5.360344220e+00 7.235308775e+00 7.229750919e+00 1.555895610e+00 2.494337820e+00 6.003970857e+00 9.979885718e-01 2.859818207e+00 2.20 6.647654505e+00 1.507952158e+00 4.862403928e+00 6.642152306e+00 6.636650108e+00 1.375502054e+00 2.199943476e+00 5.473659088e+00 8.270437835e-01 2.569050694e+00 2.22 6.089061199e+00 1.236415777e+00 4.395324420e+00 6.083614596e+00 6.078167993e+00 1.206416084e+00 1.924980728e+00 4.975344858e+00 6.680478266e-01 2.296259475e+00 2.24 5.563277842e+00 9.849137163e-01 3.957405692e+00 5.557886771e+00 5.552495701e+00 1.048037389e+00 1.668328564e+00 4.507311395e+00 5.202893015e-01 2.040464454e+00 2.26 5.068584609e+00 7.522002313e-01 3.547036079e+00 5.063249008e+00 5.057913408e+00 8.997954921e-01 1.428927191e+00 4.067928555e+00 3.830969330e-01 1.800736241e+00 2.28 4.603346529e+00 5.371016305e-01 3.162687842e+00 4.598066334e+00 4.592786141e+00 7.611483236e-01 1.205774795e+00 3.655648636e+00 2.558373613e-01 1.576193597e+00 2.30 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