# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Fischer-F-Schmitz-G-Eich-S-M--Cu-Ni # implementation = 2019--Fischer-F--Cu-Ni--LAMMPS--ipr2 # 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 2022-05-24 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 nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 7.613073238e+01 nan 0.84 nan nan nan nan nan nan nan nan 7.310598424e+01 nan 0.86 nan nan nan nan nan nan nan nan 7.035226042e+01 nan 0.88 nan nan nan nan nan 6.314817441e+01 nan nan 6.784527424e+01 nan 0.90 nan nan nan nan nan 6.115501591e+01 nan nan 6.556246852e+01 nan 0.92 nan nan nan nan nan 5.933760168e+01 nan nan 6.347902358e+01 nan 0.94 nan nan nan nan nan 5.767397170e+01 nan nan 6.156906951e+01 nan 0.96 nan nan nan nan nan 5.614565310e+01 nan nan 5.980987266e+01 nan 0.98 nan nan nan nan nan 5.473594832e+01 nan nan 5.818273431e+01 nan 1.00 nan nan nan 7.799575331e+01 7.799958084e+01 5.342931529e+01 nan nan 5.667279144e+01 6.474533177e+01 1.02 nan 6.291272860e+01 nan 7.539122632e+01 7.539256683e+01 5.221025132e+01 6.332894511e+01 nan 5.526939410e+01 6.291261765e+01 1.04 nan 6.120830815e+01 nan 7.298157434e+01 7.297927532e+01 5.106508595e+01 6.159823786e+01 nan 5.396476568e+01 6.121881680e+01 1.06 nan 5.962969541e+01 nan 7.075012841e+01 7.074489418e+01 4.998145680e+01 6.000240858e+01 nan 5.275272943e+01 5.964398685e+01 1.08 nan 5.816420067e+01 nan 6.868222798e+01 6.867614309e+01 4.894837316e+01 5.852599320e+01 nan 5.162779055e+01 5.817306346e+01 1.10 nan 5.680100345e+01 nan 6.676252003e+01 6.675812283e+01 4.795914520e+01 5.715281545e+01 nan 5.058451762e+01 5.679718643e+01 1.12 nan 5.553245526e+01 nan 6.497625939e+01 6.497564432e+01 4.616417978e+01 5.586993775e+01 nan 4.961748570e+01 5.551147607e+01 1.14 6.330129880e+01 5.435139780e+01 6.082027182e+01 6.331085284e+01 6.331444568e+01 4.244135848e+01 5.466810677e+01 6.154952636e+01 4.872092633e+01 5.431175379e+01 1.16 6.174105046e+01 5.325060275e+01 5.938301024e+01 6.175587888e+01 6.176241070e+01 3.796323977e+01 5.354073028e+01 6.008160772e+01 4.787001551e+01 5.319337216e+01 1.18 6.028865927e+01 5.222303647e+01 5.804553619e+01 6.030331038e+01 6.031064548e+01 3.358811314e+01 5.248283939e+01 5.871616404e+01 4.558493737e+01 5.215216184e+01 1.20 5.893679897e+01 5.126137364e+01 5.680126704e+01 5.894639318e+01 5.895236522e+01 2.962414184e+01 5.149045255e+01 5.744480231e+01 4.184309055e+01 5.118425597e+01 1.22 5.767623771e+01 5.035954118e+01 5.564245850e+01 5.767835122e+01 5.768123817e+01 2.603913116e+01 5.056100044e+01 5.625815220e+01 3.763667209e+01 5.028519825e+01 1.24 5.649793718e+01 4.951319708e+01 5.456128656e+01 5.649222524e+01 5.649094522e+01 2.279754066e+01 4.969285408e+01 5.514716576e+01 3.362332553e+01 4.944915331e+01 1.26 5.539330870e+01 4.871816316e+01 5.354957103e+01 5.538090884e+01 5.537534644e+01 1.986936213e+01 4.888386039e+01 5.410326719e+01 2.996614817e+01 4.866880567e+01 1.28 5.435401810e+01 4.790486367e+01 5.259802043e+01 5.433771779e+01 5.432898351e+01 1.722840008e+01 4.813063856e+01 5.311898957e+01 2.662600902e+01 4.786956823e+01 1.30 5.337319812e+01 4.572030744e+01 5.169877951e+01 5.335685631e+01 5.334704584e+01 1.485167787e+01 4.650304355e+01 5.218855385e+01 2.357063679e+01 4.569123782e+01 1.32 5.244581603e+01 4.235042681e+01 5.084638568e+01 5.243328109e+01 5.242475795e+01 1.271895651e+01 4.342965742e+01 5.130814697e+01 2.077343274e+01 4.232296046e+01 1.34 5.156802605e+01 3.854541427e+01 5.003744710e+01 5.156225353e+01 5.155694875e+01 1.081220776e+01 3.972190082e+01 5.047519490e+01 1.821251121e+01 3.851578617e+01 1.36 5.073630994e+01 3.483756924e+01 4.926970383e+01 5.073918064e+01 5.073838349e+01 9.114995679e+00 3.596969359e+01 4.968762249e+01 1.587000603e+01 3.480192007e+01 1.38 4.994836348e+01 3.143120354e+01 4.854100691e+01 4.996002755e+01 4.996414605e+01 7.611696045e+00 3.249613377e+01 4.894403818e+01 1.373106920e+01 3.138418686e+01 1.40 4.920343973e+01 2.830323628e+01 4.767632509e+01 4.922185501e+01 4.923034807e+01 6.286915990e+00 2.930394825e+01 4.824327965e+01 1.178291099e+01 2.823835027e+01 1.42 4.850134918e+01 2.542788116e+01 4.549669600e+01 4.852255908e+01 4.853407082e+01 5.125259902e+00 2.636469591e+01 4.697936454e+01 1.001411769e+01 2.533746849e+01 1.44 4.767483505e+01 2.278272313e+01 4.237667464e+01 4.769359935e+01 4.770567223e+01 4.111021342e+00 2.365439401e+01 4.439461138e+01 8.414235580e+00 2.265895365e+01 1.46 4.559623584e+01 2.034836785e+01 3.888880343e+01 4.561021545e+01 4.562114328e+01 3.228649618e+00 2.115278388e+01 4.111858160e+01 6.973133081e+00 2.018371505e+01 1.48 4.260660383e+01 1.810825489e+01 3.545586735e+01 4.261530932e+01 4.262441114e+01 2.463355572e+00 1.884256036e+01 3.764956262e+01 5.680524480e+00 1.789586334e+01 1.50 3.923921930e+01 1.604805338e+01 3.228134579e+01 3.924192983e+01 3.924819629e+01 1.801448341e+00 1.670874176e+01 3.434016759e+01 4.525921093e+00 1.578234812e+01 1.52 3.589092624e+01 1.415495467e+01 2.935391845e+01 3.588710761e+01 3.588934777e+01 1.230706471e+00 1.473801356e+01 3.128379114e+01 3.498589813e+00 1.383235934e+01 1.54 3.277667800e+01 1.241710672e+01 2.665095116e+01 3.276669109e+01 3.276401839e+01 7.404179255e-01 1.291861633e+01 2.845683811e+01 2.587598228e+00 1.203687392e+01 1.56 2.989310254e+01 1.082314742e+01 2.415216419e+01 2.987800578e+01 2.987008654e+01 3.207788918e-01 1.124042723e+01 2.583867048e+01 1.782271458e+00 1.038805413e+01 1.58 2.721951493e+01 9.362189160e+00 2.183968840e+01 2.720084254e+01 2.718794316e+01 -3.731425490e-02 9.694693622e+00 2.341146737e+01 1.072795818e+00 8.878585192e+00 1.60 2.473793345e+01 8.023997305e+00 1.969771728e+01 2.471755472e+01 2.470056962e+01 -3.423872631e-01 8.273690485e+00 2.115987788e+01 4.506048621e-01 7.501451658e+00 1.62 2.243294652e+01 6.798980363e+00 1.771229214e+01 2.241277053e+01 2.239315202e+01 -6.023181347e-01 6.970345741e+00 1.907060773e+01 -9.204632624e-02 6.249854415e+00 1.64 2.029118074e+01 5.678094754e+00 1.587121545e+01 2.027290068e+01 2.025251012e+01 -8.241000828e-01 5.777917734e+00 1.713190411e+01 -5.627394503e-01 5.116871015e+00 1.66 1.830078433e+01 4.652747621e+00 1.416382993e+01 1.828581589e+01 1.826669189e+01 -1.013844601e+00 4.689868904e+00 1.533318169e+01 -9.688577240e-01 4.095178214e+00 1.68 1.645127252e+01 3.714703360e+00 1.258074726e+01 1.644061680e+01 1.642466264e+01 -1.176995635e+00 3.699752758e+00 1.366488306e+01 -1.317481903e+00 3.177240854e+00 1.70 1.473333940e+01 2.856036530e+00 1.111354260e+01 1.472746894e+01 1.471619570e+01 -1.318463272e+00 2.801121563e+00 1.211829067e+01 -1.615286757e+00 2.355512810e+00 1.72 1.313848173e+01 2.069401657e+00 9.754412123e+00 1.313745224e+01 1.313190092e+01 -1.442710923e+00 1.987757610e+00 1.068533225e+01 -1.868500684e+00 1.622486219e+00 1.74 1.165859824e+01 1.348454419e+00 8.495811941e+00 1.166229610e+01 1.166304954e+01 -1.553818765e+00 1.253874568e+00 9.358362964e+00 -2.082942198e+00 9.707749576e-01 1.76 1.028591878e+01 6.882118966e-01 7.330400681e+00 1.029425425e+01 1.030146958e+01 -1.655326373e+00 5.942940240e-01 8.130176856e+00 -2.264140174e+00 3.935168794e-01 1.78 9.013245529e+00 8.483164490e-02 6.251267814e+00 9.026126988e+00 9.039539667e+00 -1.749889440e+00 4.499428612e-03 6.994104830e+00 -2.417285006e+00 -1.154978982e-01 1.80 7.833927919e+00 -4.649829618e-01 5.251917329e+00 7.851142236e+00 7.870088799e+00 -1.839189070e+00 -5.199637956e-01 5.943960210e+00 -2.547187848e+00 -5.622820716e-01 1.82 6.741784095e+00 -9.642015520e-01 4.326205158e+00 6.762855130e+00 6.786325664e+00 -1.924396260e+00 -9.836946463e-01 4.973967616e+00 -2.658204308e+00 -9.527459779e-01 1.84 5.731021257e+00 -1.415646840e+00 3.468281752e+00 5.755193307e+00 5.781915377e+00 -2.006582454e+00 -1.391414474e+00 4.078692426e+00 -2.754095250e+00 -1.292732601e+00 1.86 4.796189803e+00 -1.822108613e+00 2.672681666e+00 4.822472822e+00 4.851010520e+00 -2.086762695e+00 -1.747825479e+00 3.252994373e+00 -2.837934442e+00 -1.587972976e+00 1.88 3.932200783e+00 -2.186330017e+00 1.934676776e+00 3.959404560e+00 3.988241091e+00 -2.165662596e+00 -2.057520112e+00 2.492025391e+00 -2.912024181e+00 -1.843902708e+00 1.90 3.134312362e+00 -2.511082827e+00 1.250499262e+00 3.161086010e+00 3.188704987e+00 -2.243670366e+00 -2.324947321e+00 1.791222252e+00 -2.977977827e+00 -2.065559255e+00 1.92 2.398104394e+00 -2.799288219e+00 6.174667754e-01 2.422988928e+00 2.447959963e+00 -2.320857010e+00 -2.554404766e+00 1.146446501e+00 -3.037088412e+00 -2.257584424e+00 1.94 1.719454839e+00 -3.054035949e+00 3.366430968e-02 1.740975794e+00 1.762042905e+00 -2.396990867e+00 -2.750066840e+00 5.541136674e-01 -3.090489163e+00 -2.424262957e+00 1.96 1.094518112e+00 -3.278449711e+00 -5.025169761e-01 1.111375553e+00 1.127547117e+00 -2.471545745e+00 -2.915969777e+00 1.088980170e-02 -3.139176868e+00 -2.569505610e+00 1.98 5.197051798e-01 -3.475515271e+00 -9.925734310e-01 5.309954902e-01 5.416230827e-01 -2.543711239e+00 -3.055989376e+00 -4.864634801e-01 -3.183958630e+00 -2.696825355e+00 2.00 -8.334644886e-03 -3.648016514e+00 -1.438066183e+00 -3.049485594e-03 1.740329948e-03 -2.612528439e+00 -3.173816521e+00 -9.409956681e-01 -3.225418000e+00 -2.809313789e+00 2.02 -4.927306874e-01 -3.798477493e+00 -1.840796111e+00 -4.934767601e-01 -4.945117772e-01 -2.677109403e+00 -3.272929820e+00 -1.355562322e+00 -3.263945731e+00 -2.909617371e+00 2.04 -9.364064218e-01 -3.929100028e+00 -2.202819034e+00 -9.428689477e-01 -9.494550312e-01 -2.736730559e+00 -3.356548964e+00 -1.732842347e+00 -3.299722403e+00 -2.999912817e+00 2.06 -1.342093829e+00 -4.041697924e+00 -2.526361594e+00 -1.353680989e+00 -1.365302999e+00 -2.790896098e+00 -3.427550645e+00 -2.075354128e+00 -3.332698186e+00 -3.081880588e+00 2.08 -1.712346643e+00 -4.137648332e+00 -2.813842611e+00 -1.728268421e+00 -1.744195038e+00 -2.839367502e+00 -3.488351336e+00 -2.385470221e+00 -3.362602720e+00 -3.156695765e+00 2.10 -2.049552598e+00 -4.218020092e+00 -3.067780845e+00 -2.068872312e+00 -2.088192090e+00 -2.882081184e+00 -3.540849133e+00 -2.665426056e+00 -3.388973659e+00 -3.225210658e+00 2.12 -2.355944764e+00 -4.283735002e+00 -3.290714635e+00 -2.377613200e+00 -2.399281635e+00 -2.919083515e+00 -3.586589785e+00 -2.917331960e+00 -3.411303310e+00 -3.288189406e+00 2.14 -2.633612030e+00 -4.335609642e+00 -3.485176692e+00 -2.656509640e+00 -2.679407250e+00 -2.950505264e+00 -3.626836764e+00 -3.143188104e+00 -3.429174431e+00 -3.346354584e+00 2.16 -2.884508789e+00 -4.374387839e+00 -3.653666013e+00 -2.907510696e+00 -2.930512604e+00 -2.976534922e+00 -3.662588765e+00 -3.344895470e+00 -3.442283851e+00 -3.400259847e+00 2.18 -3.110463941e+00 -4.400774698e+00 -3.798615204e+00 -3.132520876e+00 -3.154577810e+00 -2.997392894e+00 -3.694600152e+00 -3.524265862e+00 -3.450446563e+00 -3.450256258e+00 2.20 -3.313189262e+00 -4.415472157e+00 -3.922354140e+00 -3.333406415e+00 -3.353623568e+00 -3.013309425e+00 -3.723404863e+00 -3.683030954e+00 -3.453584498e+00 -3.496517842e+00 2.22 -3.494287107e+00 -4.419214730e+00 -4.027070908e+00 -3.511961959e+00 -3.529636812e+00 -3.024508326e+00 -3.749343651e+00 -3.822834182e+00 -3.451738245e+00 -3.539069627e+00 2.24 -3.655257600e+00 -4.412780791e+00 -4.114770855e+00 -3.669892072e+00 -3.684526545e+00 -3.031197644e+00 -3.772594381e+00 -3.945172286e+00 -3.445068936e+00 -3.577816849e+00 2.26 -3.797505334e+00 -4.396982659e+00 -4.187232445e+00 -3.808805130e+00 -3.820104927e+00 -3.033563295e+00 -3.793204751e+00 -4.051357007e+00 -3.433818632e+00 -3.612574847e+00 2.28 -3.922345555e+00 -4.372670621e+00 -4.246004202e+00 -3.930206254e+00 -3.938066952e+00 -3.031736324e+00 -3.811107453e+00 -4.142496346e+00 -3.418283951e+00 -3.643099241e+00 2.30 -4.031009938e+00 -4.340674888e+00 -4.292499964e+00 -4.035489330e+00 -4.039968721e+00 -3.025798240e+00 -3.826095606e+00 -4.219548563e+00 -3.398800420e+00 -3.669116356e+00 2.32 -4.124651974e+00 -4.301759691e+00 -4.328025051e+00 -4.125928467e+00 -4.127204961e+00 -3.015852697e+00 -3.837825679e+00 -4.283471546e+00 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