# 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--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 4.173497821e+01 nan 0.72 nan nan nan nan nan nan nan nan 3.775418061e+01 nan 0.74 nan nan nan nan nan nan nan nan 3.441328584e+01 nan 0.76 nan nan nan nan nan 2.846553346e+01 nan nan 3.163651595e+01 nan 0.78 nan nan nan nan nan 2.719418222e+01 nan nan 2.928549977e+01 nan 0.80 nan nan nan nan nan 2.533072512e+01 nan nan 2.709496720e+01 nan 0.82 nan nan nan nan nan 2.353814914e+01 nan nan 2.519787125e+01 nan 0.84 nan nan nan nan nan 2.201187844e+01 nan nan 2.355478605e+01 nan 0.86 nan nan nan 4.536596770e+01 4.520729941e+01 2.072624111e+01 nan nan 2.199429303e+01 2.948874050e+01 0.88 nan 2.795176410e+01 nan 4.211949813e+01 4.195397448e+01 1.966494601e+01 nan nan 2.069670016e+01 2.740697707e+01 0.90 nan 2.551541383e+01 nan 3.867684870e+01 3.859303092e+01 1.880564577e+01 2.538824170e+01 nan 1.963562942e+01 2.539483873e+01 0.92 nan 2.336159953e+01 nan 3.562167522e+01 3.561792634e+01 1.808631138e+01 2.386785075e+01 nan 1.878244041e+01 2.365347412e+01 0.94 nan 2.146196098e+01 nan 3.283833918e+01 3.283681858e+01 1.655442676e+01 2.233250024e+01 nan 1.763600649e+01 2.215565640e+01 0.96 nan 1.979053273e+01 nan 3.037060909e+01 3.037243547e+01 1.516425966e+01 2.101732965e+01 nan 1.662243566e+01 2.088273094e+01 0.98 2.817551666e+01 1.832473318e+01 2.545465780e+01 2.818653002e+01 2.819047052e+01 1.389884065e+01 1.989924135e+01 2.632672178e+01 1.574727951e+01 1.981473449e+01 1.00 2.624640630e+01 1.704461312e+01 2.348350040e+01 2.625910195e+01 2.626292949e+01 1.274234759e+01 1.896002752e+01 2.459725848e+01 1.499367319e+01 1.893221346e+01 1.02 2.455700184e+01 1.593244682e+01 2.173418982e+01 2.456317268e+01 2.456451320e+01 1.167899778e+01 1.818499894e+01 2.294382559e+01 1.400238741e+01 1.821598110e+01 1.04 2.308115219e+01 1.497319646e+01 2.018626980e+01 2.307613498e+01 2.307383596e+01 1.069484068e+01 1.714567984e+01 2.148237533e+01 1.300526231e+01 1.764287160e+01 1.06 2.179296707e+01 1.415173022e+01 1.881859173e+01 2.177929157e+01 2.177405734e+01 9.777233850e+00 1.606871891e+01 2.019618453e+01 1.210637725e+01 1.719014620e+01 1.08 2.027162377e+01 1.345389454e+01 1.761107773e+01 2.025678259e+01 2.025069770e+01 8.914906554e+00 1.511966174e+01 1.880175801e+01 1.129963640e+01 1.604160216e+01 1.10 1.887167530e+01 1.286740514e+01 1.654636947e+01 1.886270557e+01 1.885830837e+01 8.100888911e+00 1.428133798e+01 1.753324418e+01 1.057900737e+01 1.492854059e+01 1.12 1.761404837e+01 1.238314968e+01 1.560946693e+01 1.761459759e+01 1.761398251e+01 7.333279837e+00 1.353981598e+01 1.640166263e+01 9.938464202e+00 1.391190657e+01 1.14 1.648947124e+01 1.199250606e+01 1.479084544e+01 1.649902528e+01 1.650261812e+01 6.614357364e+00 1.288484832e+01 1.539785237e+01 9.371637435e+00 1.298710141e+01 1.16 1.548989858e+01 1.168678213e+01 1.408539748e+01 1.550472700e+01 1.551125882e+01 5.948956278e+00 1.230884872e+01 1.451388072e+01 8.871146915e+00 1.214905761e+01 1.18 1.460818434e+01 1.145748042e+01 1.348804652e+01 1.462283545e+01 1.463017055e+01 2.960619552e+01 1.180585419e+01 1.374173974e+01 8.428557224e+00 1.139318577e+01 1.20 1.383616211e+01 1.129581178e+01 1.299100305e+01 1.384575632e+01 1.385172836e+01 2.589932809e+01 1.137087958e+01 1.307214294e+01 8.034785401e+00 1.071519894e+01 1.22 1.316375990e+01 1.119423934e+01 1.258531593e+01 1.316587341e+01 1.316876036e+01 2.257075911e+01 1.075828015e+01 1.249482653e+01 3.498106770e+01 1.011022074e+01 1.24 1.258109923e+01 1.087972965e+01 1.226195431e+01 1.257538729e+01 1.257410728e+01 1.958538392e+01 1.019759285e+01 1.199984907e+01 3.116764767e+01 9.571995735e+00 1.26 1.207875128e+01 1.050953438e+01 1.201153114e+01 1.206635142e+01 1.206078903e+01 1.691337801e+01 9.698924734e+00 1.157774129e+01 2.770586819e+01 9.092788363e+00 1.28 1.164754173e+01 1.018668646e+01 1.182354809e+01 1.163124142e+01 1.162250713e+01 1.452851841e+01 9.258447876e+00 1.122014281e+01 2.456031457e+01 8.663793168e+00 1.30 1.127976315e+01 9.906947683e+00 1.168881081e+01 1.126342134e+01 1.125361087e+01 1.240760900e+01 8.870573081e+00 1.092038108e+01 2.169887495e+01 8.276966344e+00 1.32 1.096954267e+01 9.666418159e+00 1.124971103e+01 1.095700774e+01 1.094848459e+01 1.053002613e+01 8.528587877e+00 1.067374958e+01 1.909497647e+01 7.926128726e+00 1.34 1.071219435e+01 9.460786060e+00 1.085440023e+01 1.070642184e+01 1.070111706e+01 8.877226146e+00 8.225874442e+00 1.047678081e+01 1.672663252e+01 7.606922385e+00 1.36 1.050335981e+01 3.416266543e+01 1.050191134e+01 1.050623052e+01 1.050543337e+01 7.432170150e+00 3.379061624e+01 1.032650613e+01 1.457576252e+01 3.210332473e+01 1.38 1.033989467e+01 3.085479965e+01 1.018953530e+01 1.035155874e+01 1.035567724e+01 6.178593461e+00 3.071750128e+01 1.022064052e+01 1.262720850e+01 2.907934788e+01 1.40 1.022021183e+01 2.782445283e+01 9.915048389e+00 1.023862710e+01 1.024712017e+01 5.100480926e+00 2.792166647e+01 1.015712817e+01 1.086779798e+01 2.632377058e+01 1.42 1.014328163e+01 2.504583650e+01 9.677160853e+00 1.016449153e+01 1.017600327e+01 4.181888252e+00 2.534401167e+01 1.013351489e+01 9.285689823e+00 2.380965445e+01 1.44 1.010725558e+01 2.249648175e+01 9.474950322e+00 1.012655520e+01 1.013919681e+01 3.406679452e+00 2.288959554e+01 1.014663852e+01 7.869991523e+00 2.151419542e+01 1.46 1.010840092e+01 2.015689736e+01 9.307805760e+00 1.012213164e+01 1.013387255e+01 2.759020483e+00 2.064113707e+01 1.011663003e+01 6.610155912e+00 1.941791939e+01 1.48 1.014248042e+01 1.801038852e+01 3.491302657e+01 1.014863939e+01 1.015759089e+01 2.223977002e+00 1.858100022e+01 3.613252571e+01 5.495538594e+00 1.750440921e+01 1.50 1.020546158e+01 1.604245494e+01 3.225025625e+01 1.020347098e+01 1.020810155e+01 1.787785398e+00 1.669377633e+01 3.432456115e+01 4.515367565e+00 1.575995273e+01 1.52 3.589092623e+01 1.415495466e+01 2.935391844e+01 3.588710760e+01 3.588934776e+01 1.230706469e+00 1.473801355e+01 3.128379113e+01 3.498589811e+00 1.383235933e+01 1.54 3.277667799e+01 1.241710671e+01 2.665095115e+01 3.276669108e+01 3.276401838e+01 7.404179239e-01 1.291861632e+01 2.845683810e+01 2.587598225e+00 1.203687392e+01 1.56 2.989310253e+01 1.082314741e+01 2.415216418e+01 2.987800577e+01 2.987008653e+01 3.207788904e-01 1.124042722e+01 2.583867047e+01 1.782271456e+00 1.038805413e+01 1.58 2.721951492e+01 9.362189155e+00 2.183968840e+01 2.720084253e+01 2.718794316e+01 -3.731425594e-02 9.694693617e+00 2.341146736e+01 1.072795816e+00 8.878585187e+00 1.60 2.473793344e+01 8.023997301e+00 1.969771727e+01 2.471755471e+01 2.470056961e+01 -3.423872642e-01 8.273690480e+00 2.115987787e+01 4.506048604e-01 7.501451653e+00 1.62 2.243294651e+01 6.798980359e+00 1.771229213e+01 2.241277053e+01 2.239315202e+01 -6.023181356e-01 6.970345737e+00 1.907060773e+01 -9.204632768e-02 6.249854411e+00 1.64 2.029118073e+01 5.678094750e+00 1.587121545e+01 2.027290067e+01 2.025251012e+01 -8.241000836e-01 5.777917731e+00 1.713190410e+01 -5.627394516e-01 5.116871011e+00 1.66 1.830078432e+01 4.652747618e+00 1.416382993e+01 1.828581588e+01 1.826669189e+01 -1.013844601e+00 4.689868901e+00 1.533318168e+01 -9.688577251e-01 4.095178211e+00 1.68 1.645127251e+01 3.714703357e+00 1.258074726e+01 1.644061679e+01 1.642466263e+01 -1.176995635e+00 3.699752755e+00 1.366488306e+01 -1.317481904e+00 3.177240851e+00 1.70 1.473333939e+01 2.856036527e+00 1.111354260e+01 1.472746894e+01 1.471619569e+01 -1.318463272e+00 2.801121561e+00 1.211829067e+01 -1.615286757e+00 2.355512808e+00 1.72 1.313848173e+01 2.069401655e+00 9.754412118e+00 1.313745223e+01 1.313190092e+01 -1.442710923e+00 1.987757607e+00 1.068533225e+01 -1.868500685e+00 1.622486216e+00 1.74 1.165859824e+01 1.348454417e+00 8.495811936e+00 1.166229609e+01 1.166304953e+01 -1.553818765e+00 1.253874566e+00 9.358362959e+00 -2.082942199e+00 9.707749557e-01 1.76 1.028591878e+01 6.882118947e-01 7.330400676e+00 1.029425425e+01 1.030146957e+01 -1.655326373e+00 5.942940222e-01 8.130176851e+00 -2.264140175e+00 3.935168776e-01 1.78 9.013245524e+00 8.483164328e-02 6.251267810e+00 9.026126983e+00 9.039539662e+00 -1.749889440e+00 4.499427091e-03 6.994104826e+00 -2.417285006e+00 -1.154978997e-01 1.80 7.833927915e+00 -4.649829632e-01 5.251917326e+00 7.851142232e+00 7.870088795e+00 -1.839189070e+00 -5.199637969e-01 5.943960206e+00 -2.547187848e+00 -5.622820730e-01 1.82 6.741784091e+00 -9.642015531e-01 4.326205156e+00 6.762855126e+00 6.786325660e+00 -1.924396260e+00 -9.836946474e-01 4.973967612e+00 -2.658204308e+00 -9.527459790e-01 1.84 5.731021254e+00 -1.415646841e+00 3.468281749e+00 5.755193303e+00 5.781915373e+00 -2.006582454e+00 -1.391414475e+00 4.078692422e+00 -2.754095250e+00 -1.292732602e+00 1.86 4.796189800e+00 -1.822108614e+00 2.672681664e+00 4.822472819e+00 4.851010516e+00 -2.086762695e+00 -1.747825480e+00 3.252994370e+00 -2.837934442e+00 -1.587972977e+00 1.88 3.932200779e+00 -2.186330017e+00 1.934676774e+00 3.959404557e+00 3.988241088e+00 -2.165662596e+00 -2.057520113e+00 2.492025389e+00 -2.912024181e+00 -1.843902709e+00 1.90 3.134312360e+00 -2.511082828e+00 1.250499260e+00 3.161086007e+00 3.188704984e+00 -2.243670366e+00 -2.324947322e+00 1.791222250e+00 -2.977977827e+00 -2.065559256e+00 1.92 2.398104392e+00 -2.799288219e+00 6.174667736e-01 2.422988926e+00 2.447959960e+00 -2.320857010e+00 -2.554404767e+00 1.146446499e+00 -3.037088412e+00 -2.257584424e+00 1.94 1.719454837e+00 -3.054035949e+00 3.366430804e-02 1.740975792e+00 1.762042903e+00 -2.396990867e+00 -2.750066840e+00 5.541136658e-01 -3.090489163e+00 -2.424262958e+00 1.96 1.094518110e+00 -3.278449711e+00 -5.025169775e-01 1.111375551e+00 1.127547115e+00 -2.471545745e+00 -2.915969778e+00 1.088980011e-02 -3.139176868e+00 -2.569505611e+00 1.98 5.197051780e-01 -3.475515271e+00 -9.925734323e-01 5.309954884e-01 5.416230809e-01 -2.543711239e+00 -3.055989376e+00 -4.864634814e-01 -3.183958630e+00 -2.696825355e+00 2.00 -8.334646312e-03 -3.648016514e+00 -1.438066184e+00 -3.049487057e-03 1.740328468e-03 -2.612528438e+00 -3.173816521e+00 -9.409956692e-01 -3.225418000e+00 -2.809313789e+00 2.02 -4.927306888e-01 -3.798477493e+00 -1.840796112e+00 -4.934767615e-01 -4.945117786e-01 -2.677109402e+00 -3.272929820e+00 -1.355562323e+00 -3.263945731e+00 -2.909617371e+00 2.04 -9.364064230e-01 -3.929100028e+00 -2.202819034e+00 -9.428689488e-01 -9.494550323e-01 -2.736730559e+00 -3.356548964e+00 -1.732842348e+00 -3.299722403e+00 -2.999912817e+00 2.06 -1.342093830e+00 -4.041697924e+00 -2.526361594e+00 -1.353680990e+00 -1.365303000e+00 -2.790896098e+00 -3.427550645e+00 -2.075354129e+00 -3.332698186e+00 -3.081880588e+00 2.08 -1.712346644e+00 -4.137648332e+00 -2.813842611e+00 -1.728268422e+00 -1.744195039e+00 -2.839367502e+00 -3.488351337e+00 -2.385470222e+00 -3.362602720e+00 -3.156695765e+00 2.10 -2.049552599e+00 -4.218020092e+00 -3.067780846e+00 -2.068872313e+00 -2.088192090e+00 -2.882081184e+00 -3.540849133e+00 -2.665426056e+00 -3.388973659e+00 -3.225210658e+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 -3.288189406e+00 2.14 -2.633612031e+00 -4.335609642e+00 -3.485176692e+00 -2.656509641e+00 -2.679407250e+00 -2.950505264e+00 -3.626836764e+00 -3.143188105e+00 -3.429174431e+00 -3.346354584e+00 2.16 -2.884508790e+00 -4.374387839e+00 -3.653666013e+00 -2.907510697e+00 -2.930512604e+00 -2.976534922e+00 -3.662588765e+00 -3.344895470e+00 -3.442283851e+00 -3.400259847e+00 2.18 -3.110463942e+00 -4.400774698e+00 -3.798615205e+00 -3.132520876e+00 -3.154577811e+00 -2.997392894e+00 -3.694600152e+00 -3.524265862e+00 -3.450446563e+00 -3.450256258e+00 2.20 -3.313189263e+00 -4.415472157e+00 -3.922354140e+00 -3.333406416e+00 -3.353623568e+00 -3.013309425e+00 -3.723404863e+00 -3.683030954e+00 -3.453584498e+00 -3.496517842e+00 2.22 -3.494287108e+00 -4.419214730e+00 -4.027070908e+00 -3.511961960e+00 -3.529636812e+00 -3.024508326e+00 -3.749343651e+00 -3.822834182e+00 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