# 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--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 -2.494445626e+03 nan 0.82 nan nan nan nan nan nan nan nan -2.188042392e+03 nan 0.84 nan nan nan nan nan nan nan nan -1.910179227e+03 nan 0.86 nan nan nan nan nan -1.203153043e+03 nan nan -1.657582779e+03 nan 0.88 nan nan nan nan nan -1.003335310e+03 nan nan -1.427420546e+03 nan 0.90 nan nan nan nan nan -8.208441174e+02 nan nan -1.217248702e+03 nan 0.92 nan nan nan nan nan -6.538716102e+02 nan nan -1.024965543e+03 nan 0.94 nan nan nan nan nan -5.008256255e+02 nan nan -8.487427160e+02 nan 0.96 nan nan nan nan nan -3.602933960e+02 nan nan -6.869607228e+02 nan 0.98 nan nan nan -2.614934855e+03 -2.614910512e+03 -2.310278227e+02 nan nan -5.381773248e+02 -1.323396389e+03 1.00 nan -1.139846337e+03 nan -2.355570787e+03 -2.355557307e+03 -1.188264131e+02 -1.181489571e+03 nan -4.011068647e+02 -1.139986426e+03 1.02 nan -9.705767209e+02 nan -2.116161109e+03 -2.116167796e+03 -4.416383833e+01 -1.009851848e+03 nan -2.746001274e+02 -9.706683240e+02 1.04 nan -8.140815215e+02 nan -1.894820873e+03 -1.894846270e+03 1.926546405e+00 -8.511254865e+02 nan -1.585573753e+02 -8.141514038e+02 1.06 nan -6.691845684e+02 nan -1.689868666e+03 -1.689901219e+03 2.832915994e+01 -7.041234864e+02 nan -7.286233085e+01 -6.692840047e+02 1.08 nan -5.348385833e+02 nan -1.499808720e+03 -1.499833439e+03 4.151252952e+01 -5.678147791e+02 nan -1.752302124e+01 -5.350113050e+02 1.10 nan -4.101028731e+02 nan -1.323321479e+03 -1.323326443e+03 4.616205731e+01 -4.412794790e+02 -1.145019694e+03 1.634157952e+01 -4.103644737e+02 1.12 -1.159283367e+03 -2.941238647e+02 -9.186390447e+02 -1.159228633e+03 -1.159209154e+03 4.564294790e+01 -3.236727370e+02 -9.903586048e+02 3.531099081e+01 -2.944675746e+02 1.14 -1.006554549e+03 -1.861420151e+02 -7.783889658e+02 -1.006466008e+03 -1.006428948e+03 4.234624982e+01 -2.142186994e+02 -8.463482330e+02 4.424049602e+01 -1.865447250e+02 1.16 -8.641583188e+02 -9.822298505e+01 -6.476268296e+02 -8.640710717e+02 -8.640307104e+02 3.794790222e+01 -1.190303964e+02 -7.120763584e+02 4.669180364e+01 -9.856230533e+01 1.18 -7.312238529e+02 -3.837435806e+01 -5.255427475e+02 -7.311706370e+02 -7.311412176e+02 3.357579652e+01 -5.267451778e+01 -5.867304131e+02 4.525617586e+01 -3.863740585e+01 1.20 -6.069796491e+02 8.593894440e-01 -4.114313064e+02 -6.069780252e+02 -6.069688463e+02 2.961397291e+01 -8.558987103e+00 -4.695901845e+02 4.179658381e+01 6.717106965e-01 1.22 -4.907429489e+02 2.517329226e+01 -3.046645476e+02 -4.907896392e+02 -4.908039482e+02 2.603084454e+01 1.936431727e+01 -3.600118796e+02 3.763045267e+01 2.504909973e+01 1.24 -3.818944240e+02 3.889679235e+01 -2.046745085e+02 -3.819744821e+02 -3.820103246e+02 2.279088839e+01 3.569931909e+01 -2.574106232e+02 3.361833633e+01 3.881737163e+01 1.26 -2.798699842e+02 4.530418721e+01 -1.180013141e+02 -2.799641925e+02 -2.800142877e+02 1.986411385e+01 4.393838929e+01 -1.619268569e+02 2.996221196e+01 4.525201190e+01 1.28 -1.841564297e+02 4.685913952e+01 -5.622611004e+01 -1.842419277e+02 -1.842940051e+02 1.722434291e+01 4.671994586e+01 -8.770711919e+01 2.662296614e+01 4.682148232e+01 1.30 -1.048698871e+02 4.540341153e+01 -1.373491445e+01 -1.049161307e+02 -1.049491424e+02 1.484861638e+01 4.602515510e+01 -3.562252329e+01 2.356834066e+01 4.537221703e+01 1.32 -4.846435098e+01 4.230004205e+01 1.435065406e+01 -4.847576021e+01 -4.848905417e+01 1.271671283e+01 4.332897555e+01 -2.202740594e-01 2.077174999e+01 4.227045974e+01 1.34 -9.446470055e+00 3.854444499e+01 3.182562231e+01 -9.433842347e+00 -9.432234606e+00 1.081062151e+01 3.971598691e+01 2.275381234e+01 1.821132152e+01 3.851304708e+01 1.36 1.649243286e+01 3.483716736e+01 4.163061452e+01 1.651857275e+01 1.652917690e+01 9.113923986e+00 3.596858097e+01 3.661014912e+01 1.586920226e+01 3.480031252e+01 1.38 3.272769125e+01 3.143094759e+01 4.603506976e+01 3.275864393e+01 3.277319747e+01 7.611013531e+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 6.286514791e+00 2.930354593e+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 4.110929177e+00 2.365430186e+01 4.422970511e+01 8.414166454e+00 2.265881539e+01 1.46 4.529583321e+01 2.034835681e+01 3.888772254e+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 1.810825320e+01 3.545585825e+01 4.255600787e+01 4.256510273e+01 2.463351026e+00 1.884255581e+01 3.764955790e+01 5.680521072e+00 1.789585652e+01 1.50 3.923729355e+01 1.604805338e+01 3.228134580e+01 3.923998442e+01 3.924624400e+01 1.801448337e+00 1.670874176e+01 3.434016760e+01 4.525921086e+00 1.578234811e+01 1.52 3.589092626e+01 1.415495467e+01 2.935391847e+01 3.588710762e+01 3.588934778e+01 1.230706474e+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 7.404179287e-01 1.291861633e+01 2.845683811e+01 2.587598228e+00 1.203687393e+01 1.56 2.989310254e+01 1.082314742e+01 2.415216419e+01 2.987800578e+01 2.987008654e+01 3.207788922e-01 1.124042722e+01 2.583867048e+01 1.782271457e+00 1.038805413e+01 1.58 2.721951493e+01 9.362189162e+00 2.183968842e+01 2.720084255e+01 2.718794318e+01 -3.731425503e-02 9.694693621e+00 2.341146737e+01 1.072795821e+00 8.878585193e+00 1.60 2.473793345e+01 8.023997306e+00 1.969771727e+01 2.471755472e+01 2.470056962e+01 -3.423872634e-01 8.273690490e+00 2.115987788e+01 4.506048613e-01 7.501451656e+00 1.62 2.243294653e+01 6.798980362e+00 1.771229215e+01 2.241277054e+01 2.239315204e+01 -6.023181344e-01 6.970345742e+00 1.907060773e+01 -9.204632415e-02 6.249854416e+00 1.64 2.029118075e+01 5.678094759e+00 1.587121546e+01 2.027290068e+01 2.025251013e+01 -8.241000826e-01 5.777917733e+00 1.713190411e+01 -5.627394493e-01 5.116871014e+00 1.66 1.830078433e+01 4.652747624e+00 1.416382993e+01 1.828581589e+01 1.826669190e+01 -1.013844601e+00 4.689868904e+00 1.533318169e+01 -9.688577215e-01 4.095178218e+00 1.68 1.645127252e+01 3.714703362e+00 1.258074726e+01 1.644061679e+01 1.642466264e+01 -1.176995634e+00 3.699752757e+00 1.366488306e+01 -1.317481902e+00 3.177240852e+00 1.70 1.473333940e+01 2.856036532e+00 1.111354260e+01 1.472746894e+01 1.471619570e+01 -1.318463272e+00 2.801121566e+00 1.211829067e+01 -1.615286756e+00 2.355512813e+00 1.72 1.313848174e+01 2.069401658e+00 9.754412130e+00 1.313745224e+01 1.313190093e+01 -1.442710922e+00 1.987757611e+00 1.068533226e+01 -1.868500684e+00 1.622486221e+00 1.74 1.165859825e+01 1.348454419e+00 8.495811940e+00 1.166229610e+01 1.166304954e+01 -1.553818764e+00 1.253874571e+00 9.358362965e+00 -2.082942198e+00 9.707749574e-01 1.76 1.028591879e+01 6.882118977e-01 7.330400683e+00 1.029425426e+01 1.030146958e+01 -1.655326375e+00 5.942940221e-01 8.130176858e+00 -2.264140175e+00 3.935168790e-01 1.78 9.013245535e+00 8.483164857e-02 6.251267819e+00 9.026126994e+00 9.039539674e+00 -1.749889437e+00 4.499430760e-03 6.994104837e+00 -2.417285005e+00 -1.154978961e-01 1.80 7.833927922e+00 -4.649829625e-01 5.251917334e+00 7.851142239e+00 7.870088802e+00 -1.839189070e+00 -5.199637934e-01 5.943960212e+00 -2.547187846e+00 -5.622820701e-01 1.82 6.741784103e+00 -9.642015516e-01 4.326205163e+00 6.762855138e+00 6.786325674e+00 -1.924396260e+00 -9.836946436e-01 4.973967614e+00 -2.658204307e+00 -9.527459772e-01 1.84 5.731021265e+00 -1.415646838e+00 3.468281757e+00 5.755193314e+00 5.781915383e+00 -2.006582454e+00 -1.391414475e+00 4.078692427e+00 -2.754095249e+00 -1.292732601e+00 1.86 4.796189806e+00 -1.822108611e+00 2.672681666e+00 4.822472824e+00 4.851010521e+00 -2.086762695e+00 -1.747825479e+00 3.252994370e+00 -2.837934442e+00 -1.587972975e+00 1.88 3.932200780e+00 -2.186330015e+00 1.934676778e+00 3.959404558e+00 3.988241089e+00 -2.165662597e+00 -2.057520112e+00 2.492025392e+00 -2.912024182e+00 -1.843902708e+00 1.90 3.134312364e+00 -2.511082825e+00 1.250499265e+00 3.161086011e+00 3.188704988e+00 -2.243670366e+00 -2.324947322e+00 1.791222249e+00 -2.977977828e+00 -2.065559255e+00 1.92 2.398104393e+00 -2.799288219e+00 6.174667738e-01 2.422988928e+00 2.447959963e+00 -2.320857010e+00 -2.554404767e+00 1.146446503e+00 -3.037088412e+00 -2.257584423e+00 1.94 1.719454836e+00 -3.054035949e+00 3.366430709e-02 1.740975792e+00 1.762042903e+00 -2.396990868e+00 -2.750066840e+00 5.541136648e-01 -3.090489163e+00 -2.424262958e+00 1.96 1.094518110e+00 -3.278449710e+00 -5.025169780e-01 1.111375551e+00 1.127547115e+00 -2.471545745e+00 -2.915969778e+00 1.088980011e-02 -3.139176868e+00 -2.569505611e+00 1.98 5.197051806e-01 -3.475515271e+00 -9.925734297e-01 5.309954920e-01 5.416230854e-01 -2.543711240e+00 -3.055989375e+00 -4.864634779e-01 -3.183958630e+00 -2.696825354e+00 2.00 -8.334646119e-03 -3.648016513e+00 -1.438066184e+00 -3.049487262e-03 1.740327809e-03 -2.612528439e+00 -3.173816521e+00 -9.409956684e-01 -3.225418000e+00 -2.809313789e+00 2.02 -4.927306878e-01 -3.798477493e+00 -1.840796111e+00 -4.934767603e-01 -4.945117771e-01 -2.677109403e+00 -3.272929819e+00 -1.355562323e+00 -3.263945731e+00 -2.909617372e+00 2.04 -9.364064200e-01 -3.929100028e+00 -2.202819034e+00 -9.428689462e-01 -9.494550300e-01 -2.736730558e+00 -3.356548965e+00 -1.732842346e+00 -3.299722403e+00 -2.999912818e+00 2.06 -1.342093828e+00 -4.041697924e+00 -2.526361590e+00 -1.353680988e+00 -1.365302999e+00 -2.790896099e+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 -3.156695766e+00 2.10 -2.049552595e+00 -4.218020092e+00 -3.067780844e+00 -2.068872310e+00 -2.088192087e+00 -2.882081184e+00 -3.540849133e+00 -2.665426053e+00 -3.388973660e+00 -3.225210657e+00 2.12 -2.355944764e+00 -4.283735002e+00 -3.290714635e+00 -2.377613199e+00 -2.399281635e+00 -2.919083516e+00 -3.586589784e+00 -2.917331960e+00 -3.411303310e+00 -3.288189406e+00 2.14 -2.633612030e+00 -4.335609642e+00 -3.485176692e+00 -2.656509640e+00 -2.679407249e+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 -3.400259848e+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 -3.450256258e+00 2.20 -3.313189261e+00 -4.415472156e+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 -3.669892073e+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 -3.808805130e+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 -3.031736325e+00 -3.811107454e+00 -4.142496345e+00 -3.418283951e+00 -3.643099241e+00 2.30 -4.031009938e+00 -4.340674888e+00 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