# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--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 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 -2.491317092e+03 nan 0.82 nan nan nan nan nan nan nan nan -2.185331962e+03 nan 0.84 nan nan nan nan nan nan nan nan -1.907847264e+03 nan 0.86 nan nan nan nan nan -1.201772027e+03 nan nan -1.655594196e+03 nan 0.88 nan nan nan nan nan -1.002226837e+03 nan nan -1.425744195e+03 nan 0.90 nan nan nan nan nan -8.199837393e+02 nan nan -1.215856854e+03 nan 0.92 nan nan nan nan nan -6.532375027e+02 nan nan -1.023833438e+03 nan 0.94 nan nan nan nan nan -5.003982995e+02 nan nan -8.478481998e+02 nan 0.96 nan nan nan nan nan -3.600554548e+02 nan nan -6.862839669e+02 nan 0.98 nan nan nan -2.611668904e+03 -2.611644587e+03 -2.309637403e+02 nan nan -5.377005847e+02 -1.321865049e+03 1.00 nan -1.138561531e+03 nan -2.352653276e+03 -2.352639809e+03 -1.188264132e+02 -1.180148850e+03 nan -4.008142667e+02 -1.138701462e+03 1.02 nan -9.695192443e+02 nan -2.113565118e+03 -2.113571795e+03 -4.416383833e+01 -1.008741648e+03 nan -2.744774646e+02 -9.696107410e+02 1.04 nan -8.132342184e+02 nan -1.892522139e+03 -1.892547505e+03 1.926546401e+00 -8.502284607e+02 nan -1.585573753e+02 -8.133040106e+02 1.06 nan -6.685318636e+02 nan -1.687845179e+03 -1.687877696e+03 2.832915996e+01 -7.034238791e+02 nan -7.286233084e+01 -6.686311667e+02 1.08 nan -5.343663100e+02 nan -1.498040479e+03 -1.498065174e+03 4.151252952e+01 -5.672982255e+02 nan -1.752302123e+01 -5.345388087e+02 1.10 nan -4.097981285e+02 nan -1.321790257e+03 -1.321795220e+03 4.616205731e+01 -4.409328579e+02 -1.143727929e+03 1.634157952e+01 -4.100594048e+02 1.12 -1.157972448e+03 -2.939748898e+02 -9.176512997e+02 -1.157917785e+03 -1.157898333e+03 4.564294790e+01 -3.234840669e+02 -9.892745622e+02 3.531099081e+01 -2.943181886e+02 1.14 -1.005448758e+03 -1.861380698e+02 -7.775895953e+02 -1.005360322e+03 -1.005323307e+03 4.234624981e+01 -2.141770417e+02 -8.454576086e+02 4.424049602e+01 -1.865403138e+02 1.16 -8.632437787e+02 -9.822298505e+01 -6.470030913e+02 -8.631566277e+02 -8.631163115e+02 3.794790222e+01 -1.190303964e+02 -7.113660693e+02 4.669180364e+01 -9.856230532e+01 1.18 -7.304878505e+02 -3.837435805e+01 -5.250829804e+02 -7.304346858e+02 -7.304052958e+02 3.357579653e+01 -5.267451779e+01 -5.861884650e+02 4.525617586e+01 -3.863740584e+01 1.20 -6.064105059e+02 8.593894502e-01 -4.111247951e+02 -6.064088714e+02 -6.063996967e+02 2.961397291e+01 -8.558987101e+00 -4.692055514e+02 4.179658381e+01 6.717107222e-01 1.22 -4.903299060e+02 2.517329226e+01 -3.045014215e+02 -4.903765315e+02 -4.903908176e+02 2.603084454e+01 1.936431726e+01 -3.597744033e+02 3.763045267e+01 2.504909974e+01 1.24 -3.816275569e+02 3.889679235e+01 -2.046456616e+02 -3.817075162e+02 -3.817433128e+02 2.279088839e+01 3.569931908e+01 -2.573109342e+02 3.361833633e+01 3.881737163e+01 1.26 -2.797401295e+02 4.530418721e+01 -1.180013140e+02 -2.798342291e+02 -2.798842652e+02 1.986411385e+01 4.393838929e+01 -1.619268569e+02 2.996221195e+01 4.525201189e+01 1.28 -1.841551168e+02 4.685913952e+01 -5.622611005e+01 -1.842405229e+02 -1.842925427e+02 1.722434290e+01 4.671994586e+01 -8.770711919e+01 2.662296614e+01 4.682148232e+01 1.30 -1.048698871e+02 4.540341153e+01 -1.373491446e+01 -1.049161308e+02 -1.049491424e+02 1.484861638e+01 4.602515510e+01 -3.562252330e+01 2.356834066e+01 4.537221703e+01 1.32 -4.846435098e+01 4.230004205e+01 1.435065406e+01 -4.847576020e+01 -4.848905416e+01 1.271671283e+01 4.332897555e+01 -2.202740580e-01 2.077174998e+01 4.227045974e+01 1.34 -9.446470030e+00 3.854444499e+01 3.182562231e+01 -9.433842331e+00 -9.432234594e+00 1.081062151e+01 3.971598691e+01 2.275381235e+01 1.821132152e+01 3.851304708e+01 1.36 1.649243285e+01 3.483716736e+01 4.163061452e+01 1.651857274e+01 1.652917689e+01 9.113923984e+00 3.596858097e+01 3.661014912e+01 1.586920226e+01 3.480031252e+01 1.38 3.272769124e+01 3.143094759e+01 4.603506976e+01 3.275864393e+01 3.277319746e+01 7.611013533e+00 3.249543997e+01 4.391846529e+01 1.373055732e+01 3.138316308e+01 1.40 4.189618856e+01 2.830308583e+01 4.678361388e+01 4.192583709e+01 4.194102128e+01 6.286514790e+00 2.930354594e+01 4.666563881e+01 1.178261008e+01 2.823774848e+01 1.42 4.604918318e+01 2.542780232e+01 4.520985423e+01 4.607421380e+01 4.608841319e+01 5.125049649e+00 2.636448564e+01 4.638006014e+01 1.001396000e+01 2.533715312e+01 1.44 4.677483403e+01 2.278268857e+01 4.232489901e+01 4.679419245e+01 4.680689661e+01 4.110929176e+00 2.365430186e+01 4.422970511e+01 8.414166456e+00 2.265881539e+01 1.46 4.529583321e+01 2.034835682e+01 3.888772255e+01 4.530976539e+01 4.532084804e+01 3.228620186e+00 2.115275445e+01 4.109899357e+01 6.973111009e+00 2.018367090e+01 1.48 4.254742015e+01 1.810825319e+01 3.545585826e+01 4.255600788e+01 4.256510273e+01 2.463351027e+00 1.884255581e+01 3.764955790e+01 5.680521072e+00 1.789585652e+01 1.50 3.923729355e+01 1.604805338e+01 3.228134579e+01 3.923998442e+01 3.924624400e+01 1.801448337e+00 1.670874175e+01 3.434016760e+01 4.525921087e+00 1.578234811e+01 1.52 3.589092625e+01 1.415495468e+01 2.935391846e+01 3.588710762e+01 3.588934778e+01 1.230706475e+00 1.473801357e+01 3.128379115e+01 3.498589813e+00 1.383235934e+01 1.54 3.277667801e+01 1.241710671e+01 2.665095117e+01 3.276669110e+01 3.276401840e+01 7.404179294e-01 1.291861633e+01 2.845683811e+01 2.587598229e+00 1.203687393e+01 1.56 2.989310254e+01 1.082314742e+01 2.415216419e+01 2.987800578e+01 2.987008654e+01 3.207788909e-01 1.124042722e+01 2.583867048e+01 1.782271458e+00 1.038805413e+01 1.58 2.721951493e+01 9.362189164e+00 2.183968842e+01 2.720084255e+01 2.718794317e+01 -3.731425492e-02 9.694693622e+00 2.341146737e+01 1.072795819e+00 8.878585195e+00 1.60 2.473793345e+01 8.023997307e+00 1.969771727e+01 2.471755472e+01 2.470056962e+01 -3.423872627e-01 8.273690489e+00 2.115987788e+01 4.506048608e-01 7.501451656e+00 1.62 2.243294653e+01 6.798980362e+00 1.771229215e+01 2.241277054e+01 2.239315203e+01 -6.023181345e-01 6.970345745e+00 1.907060773e+01 -9.204632490e-02 6.249854417e+00 1.64 2.029118074e+01 5.678094758e+00 1.587121546e+01 2.027290068e+01 2.025251013e+01 -8.241000829e-01 5.777917731e+00 1.713190411e+01 -5.627394504e-01 5.116871013e+00 1.66 1.830078433e+01 4.652747624e+00 1.416382993e+01 1.828581589e+01 1.826669190e+01 -1.013844601e+00 4.689868903e+00 1.533318169e+01 -9.688577216e-01 4.095178218e+00 1.68 1.645127251e+01 3.714703361e+00 1.258074726e+01 1.644061679e+01 1.642466264e+01 -1.176995635e+00 3.699752758e+00 1.366488306e+01 -1.317481902e+00 3.177240852e+00 1.70 1.473333940e+01 2.856036531e+00 1.111354260e+01 1.472746894e+01 1.471619570e+01 -1.318463272e+00 2.801121564e+00 1.211829067e+01 -1.615286757e+00 2.355512813e+00 1.72 1.313848174e+01 2.069401659e+00 9.754412129e+00 1.313745225e+01 1.313190093e+01 -1.442710921e+00 1.987757613e+00 1.068533226e+01 -1.868500683e+00 1.622486221e+00 1.74 1.165859824e+01 1.348454418e+00 8.495811939e+00 1.166229610e+01 1.166304954e+01 -1.553818765e+00 1.253874568e+00 9.358362964e+00 -2.082942199e+00 9.707749562e-01 1.76 1.028591879e+01 6.882118983e-01 7.330400681e+00 1.029425426e+01 1.030146958e+01 -1.655326375e+00 5.942940235e-01 8.130176861e+00 -2.264140175e+00 3.935168806e-01 1.78 9.013245531e+00 8.483164859e-02 6.251267818e+00 9.026126991e+00 9.039539670e+00 -1.749889438e+00 4.499430630e-03 6.994104837e+00 -2.417285006e+00 -1.154978965e-01 1.80 7.833927925e+00 -4.649829629e-01 5.251917333e+00 7.851142242e+00 7.870088806e+00 -1.839189070e+00 -5.199637931e-01 5.943960211e+00 -2.547187846e+00 -5.622820683e-01 1.82 6.741784101e+00 -9.642015516e-01 4.326205165e+00 6.762855136e+00 6.786325671e+00 -1.924396260e+00 -9.836946448e-01 4.973967615e+00 -2.658204307e+00 -9.527459766e-01 1.84 5.731021263e+00 -1.415646839e+00 3.468281755e+00 5.755193311e+00 5.781915380e+00 -2.006582454e+00 -1.391414474e+00 4.078692427e+00 -2.754095250e+00 -1.292732601e+00 1.86 4.796189803e+00 -1.822108612e+00 2.672681666e+00 4.822472822e+00 4.851010519e+00 -2.086762696e+00 -1.747825479e+00 3.252994372e+00 -2.837934442e+00 -1.587972976e+00 1.88 3.932200781e+00 -2.186330015e+00 1.934676777e+00 3.959404558e+00 3.988241089e+00 -2.165662597e+00 -2.057520112e+00 2.492025393e+00 -2.912024182e+00 -1.843902708e+00 1.90 3.134312365e+00 -2.511082825e+00 1.250499264e+00 3.161086013e+00 3.188704989e+00 -2.243670366e+00 -2.324947321e+00 1.791222251e+00 -2.977977827e+00 -2.065559255e+00 1.92 2.398104392e+00 -2.799288219e+00 6.174667742e-01 2.422988926e+00 2.447959961e+00 -2.320857010e+00 -2.554404767e+00 1.146446501e+00 -3.037088412e+00 -2.257584424e+00 1.94 1.719454839e+00 -3.054035949e+00 3.366430931e-02 1.740975795e+00 1.762042906e+00 -2.396990868e+00 -2.750066840e+00 5.541136668e-01 -3.090489163e+00 -2.424262958e+00 1.96 1.094518110e+00 -3.278449710e+00 -5.025169775e-01 1.111375551e+00 1.127547115e+00 -2.471545745e+00 -2.915969778e+00 1.088980050e-02 -3.139176868e+00 -2.569505611e+00 1.98 5.197051826e-01 -3.475515271e+00 -9.925734299e-01 5.309954933e-01 5.416230860e-01 -2.543711239e+00 -3.055989376e+00 -4.864634777e-01 -3.183958630e+00 -2.696825353e+00 2.00 -8.334646587e-03 -3.648016513e+00 -1.438066184e+00 -3.049487254e-03 1.740328303e-03 -2.612528438e+00 -3.173816521e+00 -9.409956675e-01 -3.225418000e+00 -2.809313789e+00 2.02 -4.927306890e-01 -3.798477493e+00 -1.840796111e+00 -4.934767609e-01 -4.945117771e-01 -2.677109403e+00 -3.272929819e+00 -1.355562323e+00 -3.263945731e+00 -2.909617372e+00 2.04 -9.364064208e-01 -3.929100028e+00 -2.202819034e+00 -9.428689464e-01 -9.494550296e-01 -2.736730558e+00 -3.356548965e+00 -1.732842347e+00 -3.299722402e+00 -2.999912818e+00 2.06 -1.342093829e+00 -4.041697924e+00 -2.526361590e+00 -1.353680988e+00 -1.365302999e+00 -2.790896098e+00 -3.427550644e+00 -2.075354127e+00 -3.332698186e+00 -3.081880588e+00 2.08 -1.712346643e+00 -4.137648332e+00 -2.813842609e+00 -1.728268421e+00 -1.744195037e+00 -2.839367502e+00 -3.488351336e+00 -2.385470221e+00 -3.362602720e+00 -3.156695765e+00 2.10 -2.049552596e+00 -4.218020091e+00 -3.067780844e+00 -2.068872310e+00 -2.088192088e+00 -2.882081184e+00 -3.540849133e+00 -2.665426054e+00 -3.388973660e+00 -3.225210657e+00 2.12 -2.355944765e+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 -3.288189405e+00 2.14 -2.633612030e+00 -4.335609641e+00 -3.485176691e+00 -2.656509639e+00 -2.679407249e+00 -2.950505264e+00 -3.626836763e+00 -3.143188104e+00 -3.429174431e+00 -3.346354584e+00 2.16 -2.884508788e+00 -4.374387838e+00 -3.653666013e+00 -2.907510695e+00 -2.930512602e+00 -2.976534922e+00 -3.662588765e+00 -3.344895471e+00 -3.442283851e+00 -3.400259847e+00 2.18 -3.110463940e+00 -4.400774698e+00 -3.798615204e+00 -3.132520875e+00 -3.154577809e+00 -2.997392894e+00 -3.694600152e+00 -3.524265862e+00 -3.450446563e+00 -3.450256259e+00 2.20 -3.313189261e+00 -4.415472157e+00 -3.922354140e+00 -3.333406414e+00 -3.353623567e+00 -3.013309426e+00 -3.723404863e+00 -3.683030953e+00 -3.453584498e+00 -3.496517841e+00 2.22 -3.494287107e+00 -4.419214729e+00 -4.027070908e+00 -3.511961959e+00 -3.529636811e+00 -3.024508325e+00 -3.749343651e+00 -3.822834182e+00 -3.451738245e+00 -3.539069627e+00 2.24 -3.655257600e+00 -4.412780792e+00 -4.114770855e+00 -3.669892072e+00 -3.684526545e+00 -3.031197644e+00 -3.772594382e+00 -3.945172286e+00 -3.445068936e+00 -3.577816849e+00 2.26 -3.797505334e+00 -4.396982659e+00 -4.187232445e+00 -3.808805131e+00 -3.820104927e+00 -3.033563295e+00 -3.793204751e+00 -4.051357007e+00 -3.433818631e+00 -3.612574847e+00 2.28 -3.922345555e+00 -4.372670621e+00 -4.246004202e+00 -3.930206254e+00 -3.938066953e+00 -3.031736324e+00 -3.811107453e+00 -4.142496345e+00 -3.418283951e+00 -3.643099241e+00 2.30 -4.031009938e+00 -4.340674888e+00 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