# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Ni # implementation = 2023--Daw-M-S--Ni--LAMMPS--ipr1 # composition = Ni # 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 8.775665381e+05 nan nan nan nan 0.62 nan nan nan nan nan 7.827962977e+05 nan nan nan nan 0.64 nan nan nan nan nan 6.996797926e+05 nan nan 8.226944490e+05 nan 0.66 nan nan nan nan nan 6.264989667e+05 nan nan 7.380757340e+05 nan 0.68 nan nan nan nan nan 5.618346340e+05 nan nan 6.632757071e+05 nan 0.70 nan 8.410346778e+05 nan nan nan 5.045011072e+05 nan nan 5.969296530e+05 8.423624865e+05 0.72 nan 7.615208534e+05 nan nan nan 4.535016478e+05 7.749573453e+05 nan 5.378946430e+05 7.628625582e+05 0.74 nan 6.905044024e+05 nan nan nan 4.080001751e+05 7.029182225e+05 nan 4.851989471e+05 6.918590823e+05 0.76 nan 6.268884499e+05 nan nan nan 3.672851355e+05 6.383841200e+05 nan 4.380275044e+05 6.282619209e+05 0.78 nan 5.697458785e+05 7.808865558e+05 nan nan 3.307595710e+05 5.804197234e+05 8.052302877e+05 3.956936437e+05 5.711359395e+05 0.80 7.892302901e+05 5.182884499e+05 7.135881054e+05 7.892376473e+05 7.892408936e+05 2.979101698e+05 5.282238185e+05 7.361204109e+05 3.576050617e+05 5.196932202e+05 0.82 7.229288686e+05 4.718386257e+05 6.528059423e+05 7.229320182e+05 7.229340809e+05 2.683037726e+05 4.811042838e+05 6.736933690e+05 3.232550122e+05 4.732558397e+05 0.84 6.628918052e+05 4.298115793e+05 5.977768726e+05 6.628898056e+05 6.628909311e+05 2.415578357e+05 4.384689705e+05 6.171697328e+05 2.922071572e+05 4.312409595e+05 0.86 6.084047228e+05 3.917049131e+05 5.478409121e+05 6.084022082e+05 6.084036186e+05 2.173383240e+05 3.998087465e+05 5.658763191e+05 2.640822435e+05 3.931405854e+05 0.88 5.588484955e+05 3.570809844e+05 5.024299943e+05 5.588509345e+05 5.588545847e+05 1.953614101e+05 3.646790171e+05 5.192323855e+05 2.385503942e+05 3.585204101e+05 0.90 5.136853476e+05 3.255584098e+05 4.610586016e+05 5.136935853e+05 5.136979190e+05 1.753836640e+05 3.326924914e+05 4.767347289e+05 2.153284352e+05 3.270077033e+05 0.92 4.724553520e+05 2.968062664e+05 4.232993098e+05 4.724634082e+05 4.724669149e+05 1.571903044e+05 3.035167547e+05 4.379430841e+05 1.941700660e+05 2.982651289e+05 0.94 4.347493029e+05 2.705355723e+05 3.887714984e+05 4.347523816e+05 4.347549210e+05 1.405942990e+05 2.768580818e+05 4.024685527e+05 1.748587466e+05 2.720027442e+05 0.96 4.001994084e+05 2.464906560e+05 3.571399655e+05 4.001985176e+05 4.001998063e+05 1.254285758e+05 2.524584341e+05 3.699682677e+05 1.572055713e+05 2.479674755e+05 0.98 3.684891967e+05 2.244498806e+05 3.281177897e+05 3.684849198e+05 3.684856837e+05 1.115496177e+05 2.300926511e+05 3.401423382e+05 1.410433078e+05 2.259295003e+05 1.00 3.393354674e+05 2.042132219e+05 3.014443690e+05 3.393340919e+05 3.393355086e+05 9.882834164e+04 2.095576454e+05 3.127274251e+05 1.262237625e+05 2.056912364e+05 1.02 3.124955332e+05 1.856050627e+05 2.768937889e+05 3.124990273e+05 3.125014284e+05 8.714959250e+04 1.906722949e+05 2.874943207e+05 1.126157558e+05 1.870800351e+05 1.04 2.877503217e+05 1.684712310e+05 2.542645669e+05 2.877574179e+05 2.877611577e+05 7.641507430e+04 1.732782816e+05 2.642368718e+05 1.001027006e+05 1.699451080e+05 1.06 2.649067006e+05 1.526766047e+05 2.333770036e+05 2.649144731e+05 2.649191935e+05 6.653668095e+04 1.572391532e+05 2.427698899e+05 8.858179825e+04 1.541495160e+05 1.08 2.437906129e+05 1.380959187e+05 2.140757429e+05 2.437969250e+05 2.438012573e+05 5.743628773e+04 1.424319519e+05 2.229306433e+05 7.796128971e+04 1.395683399e+05 1.10 2.242472694e+05 1.246204743e+05 1.962214727e+05 2.242506151e+05 2.242536974e+05 4.904422157e+04 1.287462053e+05 2.045728773e+05 6.815848283e+04 1.260909617e+05 1.12 2.061387021e+05 1.121506705e+05 1.796821303e+05 2.061382089e+05 2.061399961e+05 4.129455038e+04 1.160818045e+05 1.875653043e+05 5.909951905e+04 1.136196538e+05 1.14 1.893363597e+05 1.005976407e+05 1.643418396e+05 1.893345233e+05 1.893355950e+05 3.412819498e+04 1.043492013e+05 1.717880369e+05 5.071794831e+04 1.020665054e+05 1.16 1.737287389e+05 8.988476564e+04 1.500972270e+05 1.737274227e+05 1.737280133e+05 2.749191949e+04 9.346956505e+04 1.571362251e+05 4.295607624e+04 9.135245010e+04 1.18 1.592159316e+05 7.994152130e+04 1.368578344e+05 1.592151722e+05 1.592154855e+05 2.134162591e+04 8.337040706e+04 1.435147755e+05 3.576204062e+04 8.140544951e+04 1.20 1.457060846e+05 7.070165705e+04 1.245367866e+05 1.457066939e+05 1.457073925e+05 1.604450933e+04 7.398647153e+04 1.308383582e+05 2.908817657e+04 7.215946081e+04 1.22 1.331180312e+05 6.210844520e+04 1.130595421e+05 1.331207206e+05 1.331225962e+05 1.206489298e+04 6.525740334e+04 1.190301518e+05 2.289214622e+04 6.355683115e+04 1.24 1.213790234e+05 5.411031678e+04 1.023597661e+05 1.213838171e+05 1.213871487e+05 9.079402286e+03 5.712874565e+04 1.080218570e+05 1.732667430e+04 5.554666435e+04 1.26 1.104232009e+05 4.665810947e+04 9.237756457e+04 1.104287849e+05 1.104329147e+05 6.837228833e+03 4.955231929e+04 9.775086397e+04 1.305556880e+04 4.808299820e+04 1.28 1.001872948e+05 3.970857126e+04 8.305784808e+04 1.001939215e+05 1.001985777e+05 5.151719590e+03 4.248568037e+04 8.815877502e+04 9.841052092e+03 4.112403420e+04 1.30 9.061673084e+04 3.322389224e+04 7.434795935e+04 9.062353842e+04 9.062814952e+04 3.883462984e+03 3.589031300e+04 7.919397410e+04 7.419663533e+03 3.463149945e+04 1.32 8.166257220e+04 2.716948353e+04 6.620145155e+04 8.166829161e+04 8.167234008e+04 2.928370267e+03 2.973029992e+04 7.080893853e+04 5.594220936e+03 2.856722922e+04 1.34 7.327998199e+04 2.151231005e+04 5.857691642e+04 7.328263598e+04 7.328568155e+04 2.208664524e+03 2.397254135e+04 6.295990917e+04 4.217235995e+03 2.289820941e+04 1.36 6.542586962e+04 1.653005515e+04 5.143508796e+04 6.542471774e+04 6.542655008e+04 1.665872618e+03 1.864681424e+04 5.560643002e+04 3.178274232e+03 1.773706746e+04 1.38 5.805807347e+04 1.268867544e+04 4.474156415e+04 5.805522887e+04 5.805606153e+04 1.256429203e+03 1.436342797e+04 4.871106156e+04 2.394098675e+03 1.367324640e+04 1.40 5.114260722e+04 9.739425248e+03 3.846490834e+04 5.113951023e+04 5.113954635e+04 9.475702947e+02 1.106569201e+04 4.224144631e+04 1.802168401e+03 1.054225770e+04 1.42 4.464730520e+04 7.474178276e+03 3.257483434e+04 4.464515105e+04 4.464483671e+04 7.146058747e+02 8.524998042e+03 3.616723888e+04 1.355449295e+03 8.128559774e+03 1.44 3.854260626e+04 5.733750554e+03 2.704143542e+04 3.854214643e+04 3.854186182e+04 5.388509988e+02 6.566066733e+03 3.046113861e+04 1.018402676e+03 6.266952513e+03 1.46 3.280232593e+04 4.396097558e+03 2.183875668e+04 3.280321429e+04 3.280303721e+04 4.062536547e+02 5.055377237e+03 2.509721624e+04 7.641955110e+02 4.830765294e+03 1.48 2.740147901e+04 3.367772585e+03 1.715706292e+04 2.740344508e+04 2.740354033e+04 3.062681195e+02 3.890330778e+03 2.005400039e+04 5.726348198e+02 3.722376580e+03 1.50 2.231662833e+04 2.577426157e+03 1.345516189e+04 2.231982274e+04 2.232047721e+04 2.309068380e+02 2.991920172e+03 1.576016324e+04 4.284285807e+02 2.866693001e+03 1.52 1.767440202e+04 1.970273019e+03 1.055085765e+04 1.767826310e+04 1.767957856e+04 1.741230777e+02 2.299237117e+03 1.238635442e+04 3.199753189e+02 2.206208083e+03 1.54 1.395601198e+04 1.504135410e+03 8.271735060e+03 1.395950924e+04 1.396138284e+04 1.313640804e+02 1.765249372e+03 9.734159093e+03 2.385032371e+02 1.696521626e+03 1.56 1.101951127e+04 1.146528966e+03 6.482942634e+03 1.102259816e+04 1.102493109e+04 9.918358128e+01 1.353754024e+03 7.648178425e+03 1.773869574e+02 1.303200934e+03 1.58 8.699606863e+03 8.724218809e+02 5.078901237e+03 8.702150685e+03 8.704594923e+03 7.497353840e+01 1.036825886e+03 6.007163027e+03 1.316151465e+02 9.998247061e+02 1.60 6.866482828e+03 6.624663642e+02 3.976885312e+03 6.868266949e+03 6.870429913e+03 5.676163974e+01 7.928380052e+02 4.716020489e+03 9.739752721e+01 7.660048838e+02 1.62 5.417830677e+03 5.018194667e+02 3.112022601e+03 5.418813650e+03 5.420507978e+03 4.305755005e+01 6.051769603e+02 3.700197669e+03 7.186468826e+01 5.859530565e+02 1.64 4.272505116e+03 3.790642419e+02 2.433146193e+03 4.272979955e+03 4.274224171e+03 3.273287195e+01 4.609884055e+02 2.900891019e+03 5.284551172e+01 4.473749638e+02 1.66 3.366923746e+03 2.854176520e+02 1.900357796e+03 3.367193893e+03 3.368068678e+03 2.494150771e+01 3.503261221e+02 2.272117180e+03 3.870094082e+01 3.408237352e+02 1.68 2.651113020e+03 2.141140696e+02 1.482457227e+03 2.651353232e+03 2.651930972e+03 1.904819994e+01 2.655090611e+02 1.777727067e+03 2.819783239e+01 2.590193709e+02 1.70 2.085524411e+03 1.599366608e+02 1.154891847e+03 2.085758024e+03 2.086101792e+03 1.457474157e+01 2.005990853e+02 1.389224191e+03 2.040682769e+01 1.963159324e+02 1.72 1.638845888e+03 1.188654993e+02 8.983315816e+02 1.639029600e+03 1.639194088e+03 1.116182986e+01 1.510054427e+02 1.084137918e+03 1.463128206e+01 1.483366561e+02 1.74 1.286252106e+03 8.779917300e+01 6.974889797e+02 1.286383012e+03 1.286429087e+03 8.539332547e+00 1.131865521e+02 8.447331275e+02 1.034932964e+01 1.116831409e+02 1.76 1.008112231e+03 6.436259574e+01 5.404156965e+02 1.008198154e+03 1.008173793e+03 6.507053219e+00 8.441352037e+01 6.570382953e+02 7.170749502e+00 8.373631980e+01 1.78 7.888841295e+02 4.673355101e+01 4.177312382e+02 7.889330785e+02 7.888703700e+02 4.915900319e+00 6.257642717e+01 5.100195128e+02 4.804706231e+00 6.247403868e+01 1.80 6.162502675e+02 3.351089268e+01 3.220429847e+02 6.162673608e+02 6.161872342e+02 3.654709547e+00 4.604467895e+01 3.949707298e+02 3.035203286e+00 4.633331453e+01 1.82 4.804490829e+02 2.362395536e+01 2.475271203e+02 4.804257284e+02 4.803413649e+02 2.640896186e+00 3.356214572e+01 3.050483202e+02 1.702475070e+00 3.410782055e+01 1.84 3.737380929e+02 1.625598882e+01 1.895979447e+02 3.736751026e+02 3.735953144e+02 1.813342503e+00 2.416277003e+01 2.348507174e+02 6.890733812e-01 2.486803914e+01 1.86 2.899209595e+02 1.078663178e+01 1.446468308e+02 2.898512192e+02 2.897898248e+02 1.126996512e+00 1.710415829e+01 1.801339804e+02 -9.085382937e-02 1.789908595e+01 1.88 2.241760776e+02 6.742664922e+00 1.098360252e+02 2.241238545e+02 2.240883686e+02 5.487797878e-01 1.181708831e+01 1.375701094e+02 -6.999106682e-01 1.265231223e+01 1.90 1.727014602e+02 3.764246549e+00 8.292544785e+01 1.726725863e+02 1.726593998e+02 5.449534376e-02 7.866081968e+00 1.045325997e+02 -1.183491869e+00 8.707650759e+00 1.92 1.324796950e+02 1.578721804e+00 6.216636771e+01 1.324718478e+02 1.324739604e+02 -3.735015770e-01 4.919056605e+00 7.894987978e+01 -1.574323458e+00 5.744339118e+00 1.94 1.011180464e+02 -1.967772964e-02 4.619285593e+01 1.011265402e+02 1.011386500e+02 -7.480042747e-01 2.723650827e+00 5.918989600e+01 -1.895866906e+00 3.518174194e+00 1.96 7.672095957e+01 -1.185546715e+00 3.393054959e+01 7.673840142e+01 7.675654841e+01 -1.078190465e+00 1.089079564e+00 4.396671523e+01 -2.164811780e+00 1.843857689e+00 1.98 5.778840070e+01 -2.034448099e+00 2.454680863e+01 5.780967825e+01 5.783095580e+01 -1.370878185e+00 -1.285691799e-01 3.227128775e+01 -2.392941974e+00 5.813085187e-01 2.00 4.313311521e+01 -2.652278454e+00 1.739003116e+01 4.315543664e+01 4.317775808e+01 -1.631099008e+00 -1.037534592e+00 2.331386996e+01 -2.588485375e+00 -3.750340321e-01 2.02 3.181927567e+01 -3.102476173e+00 1.195079125e+01 3.184118713e+01 3.186309859e+01 -1.862603045e+00 -1.718811952e+00 1.647566243e+01 -2.757137489e+00 -1.103919756e+00 2.04 2.311113441e+01 -3.431555841e+00 7.831761304e+00 2.313165302e+01 2.315217163e+01 -2.068239820e+00 -2.232666158e+00 1.127280934e+01 -2.902853333e+00 -1.663968361e+00 2.06 1.642953743e+01 -3.673345559e+00 4.723862131e+00 1.644734314e+01 1.646514886e+01 -2.250234730e+00 -2.623653847e+00 7.327826701e+00 -3.028448588e+00 -2.098795963e+00 2.08 1.131950518e+01 -3.852205045e+00 2.387367306e+00 1.133377298e+01 1.134804078e+01 -2.410387428e+00 -2.924485677e+00 4.346590375e+00 -3.135951654e+00 -2.440647611e+00 2.10 7.424401672e+00 -3.985445228e+00 6.369475103e-01 7.435071661e+00 7.445741649e+00 -2.550212229e+00 -3.158987909e+00 2.101440978e+00 -3.226787264e+00 -2.713194621e+00 2.12 4.465366288e+00 -4.085303351e+00 -6.702275637e-01 4.472806882e+00 4.480247476e+00 -2.670982477e+00 -3.344351859e+00 4.164587121e-01 -3.302087700e+00 -2.933681886e+00 2.14 2.224948714e+00 -4.160184194e+00 -1.643615180e+00 2.229734558e+00 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