# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Mishin-Y--Ni-Al # implementation = 2004--Mishin-Y--Ni-Al--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 7.654028007e+01 nan 0.84 nan nan nan nan nan nan nan nan 7.350795642e+01 nan 0.86 nan nan nan nan nan nan nan nan 7.074760920e+01 nan 0.88 nan nan nan nan nan 6.353695391e+01 nan nan 6.823484048e+01 nan 0.90 nan nan nan nan nan 6.153994774e+01 nan nan 6.594698451e+01 nan 0.92 nan nan nan nan nan 5.971902878e+01 nan nan 6.385911312e+01 nan 0.94 nan nan nan nan nan 5.805214269e+01 nan nan 6.194525448e+01 nan 0.96 nan nan nan nan nan 5.652079162e+01 nan nan 6.018260719e+01 nan 0.98 nan nan nan nan nan 5.510827003e+01 nan nan 5.855241566e+01 nan 1.00 nan nan nan 7.840761614e+01 7.841144368e+01 5.379902789e+01 nan nan 5.703976001e+01 6.512587812e+01 1.02 nan 6.328421534e+01 nan 7.579574474e+01 7.579708525e+01 5.257755458e+01 6.370434746e+01 nan 5.563393596e+01 6.328931721e+01 1.04 nan 6.157585315e+01 nan 7.337939498e+01 7.337709597e+01 5.143017168e+01 6.196996312e+01 nan 5.432713653e+01 6.159209972e+01 1.06 nan 5.999382524e+01 nan 7.114184029e+01 7.113660606e+01 5.034450883e+01 6.037085590e+01 nan 5.311316776e+01 6.001420385e+01 1.08 nan 5.852540032e+01 nan 6.906836645e+01 6.906228156e+01 4.930956739e+01 5.889153315e+01 nan 5.198651779e+01 5.854049375e+01 1.10 nan 5.715971631e+01 nan 6.714358891e+01 6.713919171e+01 4.831864957e+01 5.751579037e+01 nan 5.094173811e+01 5.716208192e+01 1.12 nan 5.588908314e+01 nan 6.535273862e+01 6.535212355e+01 4.629573490e+01 5.623066175e+01 nan 4.997338673e+01 5.587407674e+01 1.14 6.367364445e+01 5.470630093e+01 6.118633827e+01 6.368319849e+01 6.368679133e+01 4.246467371e+01 5.502686570e+01 6.191772421e+01 4.907567809e+01 5.467228768e+01 1.16 6.210969474e+01 5.360409979e+01 5.974608518e+01 6.212452317e+01 6.213105498e+01 3.796613112e+01 5.389778177e+01 6.044651361e+01 4.816605547e+01 5.355205536e+01 1.18 6.065401053e+01 5.257540447e+01 5.840602132e+01 6.066866164e+01 6.067599674e+01 3.359046987e+01 5.283841281e+01 5.907817317e+01 4.566740194e+01 5.250919853e+01 1.20 5.929924167e+01 5.161284809e+01 5.715952976e+01 5.930883588e+01 5.931480792e+01 2.962618742e+01 5.184474906e+01 5.780428446e+01 4.185442267e+01 5.153983838e+01 1.22 5.803613246e+01 5.071031598e+01 5.599883192e+01 5.803824597e+01 5.804113293e+01 2.604087537e+01 5.091419490e+01 5.661545179e+01 3.763781773e+01 5.063950668e+01 1.24 5.685562073e+01 4.986342565e+01 5.491606955e+01 5.684990879e+01 5.684862878e+01 2.279900135e+01 5.004510533e+01 5.550260182e+01 3.362428625e+01 4.980235614e+01 1.26 5.574909392e+01 4.906797113e+01 5.390302813e+01 5.573669406e+01 5.573113167e+01 1.987056209e+01 4.923531456e+01 5.445713338e+01 2.996694224e+01 4.902105934e+01 1.28 5.470819401e+01 4.816628312e+01 5.295038191e+01 5.469189369e+01 5.468315941e+01 1.722936496e+01 4.847641048e+01 5.347155417e+01 2.662664949e+01 4.813220051e+01 1.30 5.372602984e+01 4.579956564e+01 5.205024137e+01 5.370968804e+01 5.369987756e+01 1.485243475e+01 4.662266451e+01 5.254005973e+01 2.357113962e+01 4.577111886e+01 1.32 5.279754485e+01 4.236302129e+01 5.119711226e+01 5.278500992e+01 5.277648677e+01 1.271953291e+01 4.345480462e+01 5.165881166e+01 2.077381546e+01 4.233598337e+01 1.34 5.191886938e+01 3.854561943e+01 5.038758335e+01 5.191309686e+01 5.190779208e+01 1.081263099e+01 3.972328425e+01 5.082521052e+01 1.821279187e+01 3.851631517e+01 1.36 5.108646132e+01 3.483764481e+01 4.961937878e+01 5.108933202e+01 5.108853487e+01 9.115292402e+00 3.596989948e+01 5.003715579e+01 1.587020255e+01 3.480222240e+01 1.38 5.029799258e+01 3.143125368e+01 4.889033369e+01 5.030965666e+01 5.031377516e+01 7.611891842e+00 3.249626773e+01 4.929323052e+01 1.373119878e+01 3.138438746e+01 1.40 4.955269237e+01 2.830326684e+01 4.789940201e+01 4.957110764e+01 4.957960071e+01 6.287034948e+00 2.930402889e+01 4.859224701e+01 1.178298974e+01 2.823847251e+01 1.42 4.885034730e+01 2.542789768e+01 4.556842183e+01 4.887155720e+01 4.888306894e+01 5.125324080e+00 2.636473941e+01 4.712912379e+01 1.001416025e+01 2.533753457e+01 1.44 4.789966889e+01 2.278273055e+01 4.238964291e+01 4.791828487e+01 4.793020016e+01 4.111050111e+00 2.365441357e+01 4.443586784e+01 8.414254726e+00 2.265898333e+01 1.46 4.567134299e+01 2.034837025e+01 3.888907363e+01 4.568533444e+01 4.569622361e+01 3.228658888e+00 2.115279021e+01 4.112349950e+01 6.973139281e+00 2.018372465e+01 1.48 4.262143291e+01 1.810825526e+01 3.545586887e+01 4.263016786e+01 4.263927142e+01 2.463356959e+00 1.884256131e+01 3.764956342e+01 5.680525413e+00 1.789586478e+01 1.50 3.923970719e+01 1.604805338e+01 3.228134580e+01 3.924242268e+01 3.924869087e+01 1.801448343e+00 1.670874176e+01 3.434016760e+01 4.525921094e+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 2.718794317e+01 -3.731425487e-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 4.506048622e-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 -9.204632618e-02 6.249854415e+00 1.64 2.029118074e+01 5.678094754e+00 1.587121545e+01 2.027290068e+01 2.025251013e+01 -8.241000828e-01 5.777917735e+00 1.713190411e+01 -5.627394503e-01 5.116871015e+00 1.66 1.830078433e+01 4.652747622e+00 1.416382993e+01 1.828581589e+01 1.826669189e+01 -1.013844601e+00 4.689868904e+00 1.533318169e+01 -9.688577239e-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 9.754412124e+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 9.707749577e-01 1.76 1.028591878e+01 6.882118967e-01 7.330400681e+00 1.029425425e+01 1.030146958e+01 -1.655326373e+00 5.942940241e-01 8.130176856e+00 -2.264140174e+00 3.935168795e-01 1.78 9.013245529e+00 8.483164498e-02 6.251267814e+00 9.026126988e+00 9.039539667e+00 -1.749889440e+00 4.499428690e-03 6.994104830e+00 -2.417285006e+00 -1.154978981e-01 1.80 7.833927919e+00 -4.649829618e-01 5.251917329e+00 7.851142236e+00 7.870088799e+00 -1.839189070e+00 -5.199637955e-01 5.943960210e+00 -2.547187848e+00 -5.622820716e-01 1.82 6.741784095e+00 -9.642015519e-01 4.326205159e+00 6.762855130e+00 6.786325664e+00 -1.924396260e+00 -9.836946462e-01 4.973967616e+00 -2.658204308e+00 -9.527459779e-01 1.84 5.731021258e+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 -2.186330016e+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 3.134312363e+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 6.174667755e-01 2.422988928e+00 2.447959963e+00 -2.320857010e+00 -2.554404766e+00 1.146446501e+00 -3.037088412e+00 -2.257584424e+00 1.94 1.719454840e+00 -3.054035949e+00 3.366430975e-02 1.740975794e+00 1.762042905e+00 -2.396990867e+00 -2.750066840e+00 5.541136675e-01 -3.090489163e+00 -2.424262957e+00 1.96 1.094518112e+00 -3.278449711e+00 -5.025169760e-01 1.111375553e+00 1.127547117e+00 -2.471545745e+00 -2.915969777e+00 1.088980178e-02 -3.139176868e+00 -2.569505610e+00 1.98 5.197051798e-01 -3.475515271e+00 -9.925734310e-01 5.309954903e-01 5.416230828e-01 -2.543711239e+00 -3.055989376e+00 -4.864634800e-01 -3.183958630e+00 -2.696825355e+00 2.00 -8.334644746e-03 -3.648016514e+00 -1.438066183e+00 -3.049485512e-03 1.740329969e-03 -2.612528439e+00 -3.173816521e+00 -9.409956680e-01 -3.225418000e+00 -2.809313789e+00 2.02 -4.927306873e-01 -3.798477493e+00 -1.840796111e+00 -4.934767601e-01 -4.945117771e-01 -2.677109402e+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 -9.494550311e-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 -2.813842610e+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 -3.822834181e+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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