# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Pd # implementation = 2023--Daw-M-S--Pd--LAMMPS--ipr1 # composition = Pd # 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 2.487814158e+05 nan nan nan nan 0.68 nan nan nan nan nan 2.242940040e+05 nan nan nan nan 0.70 nan nan nan nan nan 2.025642097e+05 nan nan 2.380130316e+05 nan 0.72 nan nan nan nan nan 1.832190656e+05 nan nan 2.156527479e+05 nan 0.74 nan nan nan nan nan 1.659433646e+05 nan nan 1.956781174e+05 nan 0.76 nan 2.496548389e+05 nan nan nan 1.504735636e+05 2.539164817e+05 nan 1.777846979e+05 2.500059409e+05 0.78 nan 2.280242493e+05 nan nan nan 1.365810602e+05 2.319791461e+05 nan 1.617116783e+05 2.283793870e+05 0.80 nan 2.085324128e+05 nan nan nan 1.240734791e+05 2.122092225e+05 nan 1.472366382e+05 2.088903346e+05 0.82 nan 1.909248962e+05 2.594891991e+05 nan nan 1.127847213e+05 1.943477440e+05 nan 1.341667761e+05 1.912853456e+05 0.84 2.633000691e+05 1.749806957e+05 2.386626877e+05 2.632995356e+05 2.633003526e+05 1.025717440e+05 1.781731474e+05 2.459994546e+05 1.223385756e+05 1.753455718e+05 0.86 2.426822570e+05 1.605104006e+05 2.197539298e+05 2.426836863e+05 2.426846783e+05 9.331289278e+04 1.634945882e+05 2.265825268e+05 1.116120613e+05 1.608790175e+05 0.88 2.239213555e+05 1.473504487e+05 2.025497148e+05 2.239237898e+05 2.239247198e+05 8.490147951e+04 1.501461347e+05 2.089156549e+05 1.018642517e+05 1.477224715e+05 0.90 2.068152018e+05 1.353585638e+05 1.868649676e+05 2.068165713e+05 2.068172218e+05 7.724655693e+04 1.379815034e+05 1.928077936e+05 9.298848309e+04 1.357332048e+05 0.92 1.911861157e+05 1.244096421e+05 1.725378401e+05 1.911858606e+05 1.911861240e+05 7.026753862e+04 1.268745582e+05 1.780919283e+05 8.489169973e+04 1.247872028e+05 0.94 1.768804438e+05 1.143953021e+05 1.594249987e+05 1.768791827e+05 1.768793526e+05 6.389115358e+04 1.167146922e+05 1.646228988e+05 7.749222711e+04 1.147745810e+05 0.96 1.637615337e+05 1.052198401e+05 1.474010157e+05 1.637611629e+05 1.637617326e+05 5.805504293e+04 1.074057379e+05 1.522729379e+05 7.071749338e+04 1.055992276e+05 0.98 1.517109921e+05 9.679831021e+04 1.363584041e+05 1.517123556e+05 1.517135354e+05 5.270505200e+04 9.886094760e+04 1.409307045e+05 6.450438571e+04 9.717893404e+04 1.00 1.406240510e+05 8.905711054e+04 1.262017275e+05 1.406267395e+05 1.406279350e+05 4.779345229e+04 9.100551802e+04 1.304979232e+05 5.879781535e+04 8.944006552e+04 1.02 1.304099297e+05 8.193010033e+04 1.168466696e+05 1.304122255e+05 1.304131734e+05 4.327781565e+04 8.377348244e+04 1.208871068e+05 5.354886054e+04 8.231501411e+04 1.04 1.209860134e+05 7.535945775e+04 1.082156260e+05 1.209867918e+05 1.209874375e+05 3.912041536e+04 7.710586967e+04 1.120199740e+05 4.871411806e+04 7.574633085e+04 1.06 1.122769601e+05 6.929307241e+04 1.002407268e+05 1.122765786e+05 1.122768529e+05 3.528722351e+04 7.095012123e+04 1.038265622e+05 4.425521061e+04 6.968233956e+04 1.08 1.042178418e+05 6.368553620e+04 9.286316124e+04 1.042163404e+05 1.042164313e+05 3.174882153e+04 6.526002946e+04 9.624513119e+04 4.013770533e+04 6.407533931e+04 1.10 9.674924790e+04 5.849488081e+04 8.602830847e+04 9.674823523e+04 9.674844209e+04 2.847831860e+04 5.999328220e+04 8.922058962e+04 3.633068792e+04 5.888409701e+04 1.12 8.982011638e+04 5.368425539e+04 7.968836264e+04 8.982057356e+04 8.982108244e+04 2.545123501e+04 5.511149353e+04 8.270486276e+04 3.280653994e+04 5.407219024e+04 1.14 8.338397811e+04 4.922037681e+04 7.380097810e+04 8.338574082e+04 8.338658899e+04 2.264658720e+04 5.058052719e+04 7.665426231e+04 2.954037918e+04 4.960758440e+04 1.16 7.739911957e+04 4.507451375e+04 6.832671591e+04 7.740150855e+04 7.740277595e+04 2.004547815e+04 4.637100553e+04 7.102879078e+04 2.651000352e+04 4.546119414e+04 1.18 7.182813388e+04 4.121970336e+04 6.323175484e+04 7.183037216e+04 7.183174900e+04 1.763094384e+04 4.245633167e+04 6.579298572e+04 2.369549092e+04 4.160620331e+04 1.20 6.663656286e+04 3.763160995e+04 5.848575553e+04 6.663820983e+04 6.663935664e+04 1.538773607e+04 3.881244109e+04 6.091480189e+04 2.107875210e+04 3.801777267e+04 1.22 6.179391053e+04 3.428861644e+04 5.406081233e+04 6.179462649e+04 6.179539256e+04 1.330190918e+04 3.541735631e+04 5.636522920e+04 1.864341544e+04 3.467415254e+04 1.24 5.727246239e+04 3.117057330e+04 4.992998710e+04 5.727207295e+04 5.727247524e+04 1.136001034e+04 3.225083274e+04 5.211776928e+04 1.637452531e+04 3.155583951e+04 1.26 5.304577404e+04 2.825954662e+04 4.606982200e+04 5.304502906e+04 5.304522642e+04 9.549912609e+03 2.929481503e+04 4.814802109e+04 1.425867562e+04 2.864493530e+04 1.28 4.909115419e+04 2.553995680e+04 4.245915440e+04 4.909054619e+04 4.909059857e+04 7.860678253e+03 2.653321140e+04 4.443456950e+04 1.228410025e+04 2.592525726e+04 1.30 4.538790039e+04 2.299730415e+04 3.907941936e+04 4.538747121e+04 4.538742986e+04 6.283264127e+03 2.395099781e+04 4.095771320e+04 1.044014267e+04 2.338180172e+04 1.32 4.191692386e+04 2.061757639e+04 3.591238359e+04 4.191679006e+04 4.191680105e+04 4.872240649e+03 2.153453393e+04 3.769961871e+04 8.716800476e+03 2.100084210e+04 1.34 3.866082565e+04 1.838872672e+04 3.294199657e+04 3.866128327e+04 3.866156868e+04 3.773599072e+03 1.927114348e+04 3.464402654e+04 7.105219297e+03 1.876990162e+04 1.36 3.560425848e+04 1.629991742e+04 3.015426723e+04 3.560536897e+04 3.560610257e+04 2.926055494e+03 1.714908034e+04 3.177638313e+04 5.599323121e+03 1.667824890e+04 1.38 3.273313001e+04 1.434083442e+04 2.753634040e+04 3.273469737e+04 3.273576525e+04 2.271475666e+03 1.515782903e+04 2.908347178e+04 4.344152603e+03 1.471602378e+04 1.40 3.003419233e+04 1.250166567e+04 2.507651022e+04 3.003598275e+04 3.003725556e+04 1.765429227e+03 1.328814247e+04 2.655265881e+04 3.372799168e+03 1.287424581e+04 1.42 2.749481994e+04 1.077411611e+04 2.276360611e+04 2.749689059e+04 2.749827875e+04 1.373837197e+03 1.153163396e+04 2.417249293e+04 2.620423049e+03 1.114464005e+04 1.44 2.510430949e+04 9.150640411e+03 2.058695145e+04 2.510636912e+04 2.510771721e+04 1.070470147e+03 9.880626633e+03 2.193266444e+04 2.037176979e+03 9.519478209e+03 1.46 2.285280005e+04 7.624268380e+03 1.853730925e+04 2.285450182e+04 2.285567498e+04 8.352246950e+02 8.327768396e+03 1.982350619e+04 1.584650396e+03 7.990754801e+03 1.48 2.073117458e+04 6.188162176e+03 1.660623281e+04 2.073197530e+04 2.073285649e+04 6.526273538e+02 6.866333528e+03 1.783606868e+04 1.233306618e+03 6.551855091e+03 1.50 1.873056768e+04 4.891269144e+03 1.478556761e+04 1.873020809e+04 1.873073155e+04 5.107066738e+02 5.495507809e+03 1.596201873e+04 9.603972905e+02 5.218611832e+03 1.52 1.684190277e+04 3.860073792e+03 1.306820188e+04 1.684092838e+04 1.684114727e+04 4.003120136e+02 4.349703013e+03 1.419343237e+04 7.482779065e+02 4.133534809e+03 1.54 1.505806080e+04 3.046996243e+03 1.144758922e+04 1.505693408e+04 1.505690332e+04 3.143710771e+02 3.444192572e+03 1.252360746e+04 5.833137007e+02 3.275467887e+03 1.56 1.337240998e+04 2.405629201e+03 9.917505052e+03 1.337138884e+04 1.337118666e+04 2.474071164e+02 2.728129593e+03 1.094609849e+04 4.549741339e+02 2.596542567e+03 1.58 1.177849634e+04 1.899483844e+03 8.471640545e+03 1.177793798e+04 1.177771596e+04 1.951708194e+02 2.161399398e+03 9.455151659e+03 3.550907907e+02 2.059045099e+03 1.60 1.027071488e+04 1.499898045e+03 7.103977531e+03 1.027062950e+04 1.027042647e+04 1.543530208e+02 1.712628135e+03 8.045242380e+03 2.773082294e+02 1.633340750e+03 1.62 8.843872646e+03 1.184267915e+03 5.809717414e+03 8.844129968e+03 8.843967133e+03 1.224166171e+02 1.357184897e+03 6.711253455e+03 2.167146127e+02 1.296054919e+03 1.64 7.492792863e+03 9.348804814e+02 4.673020016e+03 7.493383842e+03 7.493323277e+03 9.739319176e+01 1.075610325e+03 5.455115717e+03 1.694997995e+02 1.028645507e+03 1.66 6.212848408e+03 7.378345265e+02 3.759328368e+03 6.213807181e+03 6.213924144e+03 7.774863936e+01 8.525213173e+02 4.396256307e+03 1.326948970e+02 8.165544744e+02 1.68 5.037654537e+03 5.821601653e+02 3.024631966e+03 5.038812660e+03 5.039138755e+03 6.229152332e+01 6.757431083e+02 3.543751255e+03 1.039842865e+02 6.483133578e+02 1.70 4.077318668e+03 4.591873905e+02 2.433708957e+03 4.078392640e+03 4.078903381e+03 5.009959377e+01 5.356264755e+02 2.857056082e+03 8.156948209e+01 5.148363994e+02 1.72 3.300633757e+03 3.620620699e+02 1.958319911e+03 3.301598189e+03 3.302265331e+03 4.045480037e+01 4.245541164e+02 2.303621260e+03 6.405421607e+01 4.088848323e+02 1.74 2.672210058e+03 2.853645207e+02 1.575808558e+03 2.673048637e+03 2.673797230e+03 3.279814984e+01 3.365033973e+02 1.857447792e+03 5.035202095e+01 3.247661111e+02 1.76 2.163618765e+03 2.247934025e+02 1.267986996e+03 2.164257195e+03 2.164963679e+03 2.669455193e+01 2.666807883e+02 1.497649514e+03 3.961826428e+01 2.579812380e+02 1.78 1.751922354e+03 1.769555248e+02 1.020246374e+03 1.752331390e+03 1.752925683e+03 2.180542566e+01 2.113090971e+02 1.207465592e+03 3.119486435e+01 2.049569430e+02 1.80 1.418551764e+03 1.391787224e+02 8.208171075e+02 1.418757839e+03 1.419216007e+03 1.786694331e+01 1.673997980e+02 9.733708504e+02 2.456934307e+01 1.628473679e+02 1.82 1.148440248e+03 1.093502088e+02 6.601985644e+02 1.148541635e+03 1.148882013e+03 1.467351825e+01 1.325741749e+02 7.844767754e+02 1.934234156e+01 1.293829375e+02 1.84 9.295801598e+02 8.580283615e+01 5.308484712e+02 9.296435228e+02 9.298856982e+02 1.206666655e+01 1.049505925e+02 6.320690569e+02 1.520418777e+01 1.027867291e+02 1.86 7.522579061e+02 6.721664897e+01 4.266955084e+02 7.523222006e+02 7.524839346e+02 9.922997237e+00 8.303432922e+01 5.091153188e+02 1.191436440e+01 8.164636556e+01 1.88 6.086030397e+02 5.254673148e+01 3.428456477e+02 6.086662258e+02 6.087632302e+02 8.146369446e+00 6.564158647e+01 4.099379163e+02 9.285842759e+00 6.483808840e+01 1.90 4.922363684e+02 4.096622548e+01 2.753521863e+02 4.922868904e+02 4.923330313e+02 6.661850680e+00 5.183204548e+01 3.299519313e+02 7.173913939e+00 5.146799184e+01 1.92 3.979787603e+02 3.181930938e+01 2.210132488e+02 3.980153443e+02 3.980266294e+02 5.410810319e+00 4.086163715e+01 2.654507749e+02 5.466354843e+00 4.082311145e+01 1.94 3.216397745e+02 2.459027031e+01 1.772694954e+02 3.216641551e+02 3.216537624e+02 4.347970623e+00 3.214193589e+01 2.134450795e+02 4.076149675e+00 3.233978990e+01 1.96 2.598246038e+02 1.887265031e+01 1.420651720e+02 2.598386516e+02 2.598157545e+02 3.438038966e+00 2.520553435e+01 1.715194832e+02 2.935874253e+00 2.557130624e+01 1.98 2.097794387e+02 1.434454673e+01 1.137406286e+02 2.097849980e+02 2.097558531e+02 2.653324998e+00 1.968122976e+01 1.377161800e+02 1.993310390e+00 2.016281232e+01 2.00 1.692704594e+02 1.075282435e+01 9.095633411e+01 1.692661354e+02 1.692348941e+02 1.972061024e+00 1.527452046e+01 1.104650516e+02 1.208007609e+00 1.583265984e+01 2.02 1.364857657e+02 7.897784659e+00 7.263146941e+01 1.364695053e+02 1.364388163e+02 1.377088276e+00 1.175252455e+01 8.849326913e+01 5.486885509e-01 1.235748806e+01 2.04 1.099478869e+02 5.623481284e+00 5.789428690e+01 1.099227820e+02 1.098952323e+02 8.548307286e-01 8.930846203e+00 7.077582912e+01 -8.836296328e-03 9.560317727e+00 2.06 8.845129896e+01 3.807207965e+00 4.604197539e+01 8.842692434e+01 8.840611051e+01 3.944947335e-01 6.663616085e+00 5.648962995e+01 -4.833077594e-01 7.301048229e+00 2.08 7.104234929e+01 2.352335271e+00 3.650807335e+01 7.102422754e+01 7.101164435e+01 -1.255420180e-02 4.835567045e+00 4.497171563e+01 -8.893315643e-01 5.468876136e+00 2.10 5.694695290e+01 1.182874763e+00 2.883323536e+01 5.693609776e+01 5.693038033e+01 -3.732758332e-01 3.355664973e+00 3.568578929e+01 -1.238298943e+00 3.976249599e+00 2.12 4.553597990e+01 2.391518239e-01 2.265120148e+01 4.553173154e+01 4.553096077e+01 -6.933309768e-01 2.152155192e+00 2.819830267e+01 -1.539165974e+00 2.754050385e+00 2.14 3.629840630e+01 -5.256353947e-01 1.766837316e+01 3.629959282e+01 3.630226593e+01 -9.773545484e-01 1.168530373e+00 2.215902516e+01 -1.799021109e+00 1.747756956e+00 2.16 2.881940631e+01 -1.148149164e+00 1.364700394e+01 2.882395046e+01 2.882890274e+01 -1.229106909e+00 3.604138676e-01 1.728491886e+01 -2.023514787e+00 9.143913107e-01 2.18 2.276247766e+01 -1.657080296e+00 1.039833077e+01 2.276878978e+01 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