# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = Cu3Ni # 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 2024-01-04 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 6.658854532e+02 nan nan 0.90 5.989574905e+02 nan nan 0.92 5.391572226e+02 nan nan 0.94 4.857088263e+02 nan nan 0.96 4.379098893e+02 nan nan 0.98 3.951051764e+02 6.035737102e+02 6.842635308e+02 1.00 3.567025579e+02 5.487804368e+02 6.225692853e+02 1.02 3.221707911e+02 4.989821258e+02 5.669156843e+02 1.04 2.910245364e+02 4.536751921e+02 5.166368783e+02 1.06 2.628386701e+02 4.124277470e+02 4.711184578e+02 1.08 2.372642696e+02 3.748599926e+02 4.297937294e+02 1.10 2.140416717e+02 3.406315339e+02 3.921559785e+02 1.12 1.929434270e+02 3.094365625e+02 3.577696561e+02 1.14 1.737736349e+02 2.810107157e+02 3.263316422e+02 1.16 1.563559047e+02 2.551071578e+02 2.975919502e+02 1.18 1.405310653e+02 2.315023060e+02 2.713156293e+02 1.20 1.261576461e+02 2.099960974e+02 2.472858563e+02 1.22 1.131070578e+02 1.904041703e+02 2.253066146e+02 1.24 1.012635166e+02 1.725493175e+02 2.051960124e+02 1.26 9.052458641e+01 1.562753236e+02 1.867873496e+02 1.28 8.080007503e+01 1.414419808e+02 1.699313685e+02 1.30 7.200624508e+01 1.279217279e+02 1.544940491e+02 1.32 6.406660156e+01 1.155987887e+02 1.403546983e+02 1.34 5.691255730e+01 1.043726034e+02 1.274051241e+02 1.36 5.048026384e+01 9.415184774e+01 1.155418248e+02 1.38 4.471035873e+01 8.485376174e+01 1.046736244e+02 1.40 3.943213226e+01 7.640252944e+01 9.472076012e+01 1.42 3.465700907e+01 6.872921453e+01 8.561333095e+01 1.44 3.039257254e+01 6.177027807e+01 7.728694391e+01 1.46 2.659593590e+01 5.546752814e+01 6.968370697e+01 1.48 2.322403340e+01 4.976779681e+01 6.274884019e+01 1.50 2.023753465e+01 4.462414513e+01 5.643128672e+01 1.52 1.760090662e+01 3.993424353e+01 5.068321447e+01 1.54 1.528100316e+01 3.561532088e+01 4.546329230e+01 1.56 1.324607012e+01 3.172176421e+01 4.071309063e+01 1.58 1.146483437e+01 2.821562444e+01 3.628504737e+01 1.60 9.906279647e+00 2.505900498e+01 3.227386526e+01 1.62 8.540242478e+00 2.221408801e+01 2.864939874e+01 1.64 7.338450669e+00 1.964753068e+01 2.538281329e+01 1.66 6.274174222e+00 1.732841129e+01 2.244451968e+01 1.68 5.322200238e+00 1.523368609e+01 1.980862080e+01 1.70 4.458242229e+00 1.334539294e+01 1.745060180e+01 1.72 3.662580558e+00 1.164834841e+01 1.534743660e+01 1.74 2.928366077e+00 1.012717384e+01 1.347716123e+01 1.76 2.251460484e+00 8.765912376e+00 1.181831125e+01 1.78 1.626916870e+00 7.548933860e+00 1.034942655e+01 1.80 1.050536252e+00 6.461037334e+00 9.048829775e+00 1.82 5.190196356e-01 5.487587956e+00 7.894963442e+00 1.84 2.998399705e-02 4.614641378e+00 6.866465179e+00 1.86 -4.184324421e-01 3.828778103e+00 5.943330051e+00 1.88 -8.278703354e-01 3.116450872e+00 5.106484062e+00 1.90 -1.199885435e+00 2.464307378e+00 4.337451796e+00 1.92 -1.536063558e+00 1.860720465e+00 3.620882984e+00 1.94 -1.838130217e+00 1.299943933e+00 2.951833752e+00 1.96 -2.108098771e+00 7.793158271e-01 2.328434895e+00 1.98 -2.348343235e+00 2.970093503e-01 1.749007786e+00 2.00 -2.561184169e+00 -1.483419840e-01 1.210870701e+00 2.02 -2.748539725e+00 -5.581990302e-01 7.116868521e-01 2.04 -2.912155678e+00 -9.340516571e-01 2.490951404e-01 2.06 -3.053644291e+00 -1.277132027e+00 -1.791048783e-01 2.08 -3.174944252e+00 -1.588809612e+00 -5.747983077e-01 2.10 -3.278561323e+00 -1.870589296e+00 -9.395234607e-01 2.12 -3.366195122e+00 -2.124229421e+00 -1.274561271e+00 2.14 -3.439215063e+00 -2.351580065e+00 -1.581143452e+00 2.16 -3.498759563e+00 -2.554689350e+00 -1.860641259e+00 2.18 -3.545789284e+00 -2.735440563e+00 -2.114519796e+00 2.20 -3.581125583e+00 -2.895430723e+00 -2.344116751e+00 2.22 -3.605488524e+00 -3.036104733e+00 -2.550912816e+00 2.24 -3.619538629e+00 -3.158829801e+00 -2.736408564e+00 2.26 -3.623968781e+00 -3.264927230e+00 -2.901797777e+00 2.28 -3.620223086e+00 -3.355663494e+00 -3.048129307e+00 2.30 -3.609315901e+00 -3.432223320e+00 -3.176296478e+00 2.32 -3.592037513e+00 -3.495746292e+00 -3.287311971e+00 2.34 -3.569150222e+00 -3.547710822e+00 -3.382867018e+00 2.36 -3.541416434e+00 -3.589147367e+00 -3.464199264e+00 2.38 -3.509515089e+00 -3.620896631e+00 -3.532437299e+00 2.40 -3.473809102e+00 -3.643701890e+00 -3.588703947e+00 2.42 -3.434501215e+00 -3.658226892e+00 -3.633838661e+00 2.44 -3.391920886e+00 -3.665058323e+00 -3.668730611e+00 2.46 -3.346482676e+00 -3.664714347e+00 -3.694271270e+00 2.48 -3.298602407e+00 -3.658241006e+00 -3.711261368e+00 2.50 -3.248684869e+00 -3.646550198e+00 -3.720391325e+00 2.52 -3.197119328e+00 -3.630203658e+00 -3.722262894e+00 2.54 -3.144265638e+00 -3.609725296e+00 -3.717387839e+00 2.56 -3.090440182e+00 -3.585577735e+00 -3.706678395e+00 2.58 -3.035921417e+00 -3.558146693e+00 -3.690941201e+00 2.60 -2.980962090e+00 -3.527710950e+00 -3.670636329e+00 2.62 -2.925803921e+00 -3.494500599e+00 -3.646231332e+00 2.64 -2.870688457e+00 -3.458785902e+00 -3.618224815e+00 2.66 -2.815848022e+00 -3.420802687e+00 -3.587055393e+00 2.68 -2.761393354e+00 -3.380664450e+00 -3.552944164e+00 2.70 -2.707398584e+00 -3.338456231e+00 -3.516119296e+00 2.72 -2.653912971e+00 -3.294265279e+00 -3.476855453e+00 2.74 -2.600914976e+00 -3.248242908e+00 -3.435451132e+00 2.76 -2.548332203e+00 -3.200598270e+00 -3.392211187e+00 2.78 -2.495977855e+00 -3.151568470e+00 -3.347417768e+00 2.80 -2.443543522e+00 -3.101412075e+00 -3.301308175e+00 2.82 -2.391073723e+00 -3.050396824e+00 -3.254146940e+00 2.84 -2.338563102e+00 -2.998782764e+00 -3.206173586e+00 2.86 -2.286022440e+00 -2.946806572e+00 -3.157599634e+00 2.88 -2.233486097e+00 -2.894670967e+00 -3.108617358e+00 2.90 -2.181007732e+00 -2.842541617e+00 -3.059391083e+00 2.92 -2.128657353e+00 -2.790558759e+00 -3.010047232e+00 2.94 -2.076494761e+00 -2.738829856e+00 -2.960665953e+00 2.96 -2.024555119e+00 -2.687174572e+00 -2.911278173e+00 2.98 -1.972857795e+00 -2.635579910e+00 -2.861854111e+00 3.00 -1.921424734e+00 -2.584086060e+00 -2.812304788e+00 3.02 -1.870282444e+00 -2.532725562e+00 -2.762556955e+00 3.04 -1.819461549e+00 -2.481524224e+00 -2.712581993e+00 3.06 -1.768996001e+00 -2.430576527e+00 -2.662376506e+00 3.08 -1.718919594e+00 -2.379973618e+00 -2.611961862e+00 3.10 -1.669264564e+00 -2.329722300e+00 -2.561378464e+00 3.12 -1.620063723e+00 -2.279811837e+00 -2.510676725e+00 3.14 -1.571350292e+00 -2.230215008e+00 -2.459934997e+00 3.16 -1.523157507e+00 -2.180891968e+00 -2.409322771e+00 3.18 -1.475518263e+00 -2.131797260e+00 -2.358903491e+00 3.20 -1.428464769e+00 -2.082890211e+00 -2.308711961e+00 3.22 -1.382028280e+00 -2.034144352e+00 -2.258769997e+00 3.24 -1.336240574e+00 -1.985553027e+00 -2.209099537e+00 3.26 -1.291134171e+00 -1.937130187e+00 -2.159724537e+00 3.28 -1.246739988e+00 -1.888907089e+00 -2.110671310e+00 3.30 -1.203086941e+00 -1.840924023e+00 -2.061964390e+00 3.32 -1.160201837e+00 -1.793223306e+00 -2.013624824e+00 3.34 -1.118109235e+00 -1.745848363e+00 -1.965676492e+00 3.36 -1.076831346e+00 -1.698840148e+00 -1.918146799e+00 3.38 -1.036387980e+00 -1.652234074e+00 -1.871066893e+00 3.40 -9.967964946e-01 -1.606059098e+00 -1.824430547e+00 3.42 -9.580717873e-01 -1.560342109e+00 -1.778138222e+00 3.44 -9.202262999e-01 -1.515109930e+00 -1.732207334e+00 3.46 -8.832700589e-01 -1.470389119e+00 -1.686667222e+00 3.48 -8.472107159e-01 -1.426205738e+00 -1.641549327e+00 3.50 -8.120536233e-01 -1.382585148e+00 -1.596886796e+00 3.52 -7.778019220e-01 -1.339551821e+00 -1.552713729e+00 3.54 -7.444566891e-01 -1.297129162e+00 -1.509064055e+00 3.56 -7.120170145e-01 -1.255339403e+00 -1.465970055e+00 3.58 -6.804800404e-01 -1.214203380e+00 -1.423460564e+00 3.60 -6.498410829e-01 -1.173740549e+00 -1.381559234e+00 3.62 -6.200937985e-01 -1.133969727e+00 -1.340284469e+00 3.64 -5.912303205e-01 -1.094909178e+00 -1.299649054e+00 3.66 -5.632413646e-01 -1.056575575e+00 -1.259659344e+00 3.68 -5.361163792e-01 -1.018984277e+00 -1.220316839e+00 3.70 -5.098436889e-01 -9.821505959e-01 -1.181620738e+00 3.72 -4.844106512e-01 -9.460886407e-01 -1.143570400e+00 3.74 -4.598037744e-01 -9.108108519e-01 -1.106167333e+00 3.76 -4.360089095e-01 -8.763280467e-01 -1.069416219e+00 3.78 -4.130114334e-01 -8.426494547e-01 -1.033324993e+00 3.80 -3.907969901e-01 -8.097827822e-01 -9.979041904e-01 3.82 -3.693541725e-01 -7.777342744e-01 -9.631658912e-01 3.84 -3.486724161e-01 -7.465087890e-01 -9.291225311e-01 3.86 -3.287416147e-01 -7.161099113e-01 -8.957857869e-01 3.88 -3.095520739e-01 -6.865400318e-01 -8.631655882e-01 3.90 -2.910951759e-01 -6.578003827e-01 -8.312693022e-01 3.92 -2.733632545e-01 -6.298911885e-01 -8.001013382e-01 3.94 -2.563503912e-01 -6.028118038e-01 -7.696641012e-01 3.96 -2.400524472e-01 -5.765604562e-01 -7.399586727e-01 3.98 -2.244673856e-01 -5.511338191e-01 -7.109848612e-01 4.00 -2.095960945e-01 -5.265278931e-01 -6.827412110e-01 4.02 -1.954417089e-01 -5.027382776e-01 -6.552250788e-01 4.04 -1.820101068e-01 -4.797603124e-01 -6.284327309e-01 4.06 -1.693100213e-01 -4.575891875e-01 -6.023594132e-01 4.08 -1.573503597e-01 -4.362201645e-01 -5.769993975e-01 4.10 -1.461410130e-01 -4.156486813e-01 -5.523460722e-01 4.12 -1.356916867e-01 -3.958705782e-01 -5.283920158e-01 4.14 -1.260089667e-01 -3.768822775e-01 -5.051290389e-01 4.16 -1.170910614e-01 -3.586495385e-01 -4.825483024e-01 4.18 -1.089282941e-01 -3.410455001e-01 -4.606403400e-01 4.20 -1.015050272e-01 -3.240481839e-01 -4.393951582e-01 4.22 -9.479956197e-02 -3.076480520e-01 -4.188023088e-01 4.24 -8.878764734e-02 -2.918355032e-01 -3.988510560e-01 4.26 -8.343877250e-02 -2.766014162e-01 -3.795321614e-01 4.28 -7.871948541e-02 -2.619388909e-01 -3.608373367e-01 4.30 -7.448568941e-02 -2.478419608e-01 -3.427581324e-01 4.32 -7.048328904e-02 -2.343057893e-01 -3.252859653e-01 4.34 -6.667673629e-02 -2.213265432e-01 -3.084120806e-01 4.36 -6.304720566e-02 -2.089000333e-01 -2.921278524e-01 4.38 -5.958045743e-02 -1.970217171e-01 -2.764244542e-01 4.40 -5.626497714e-02 -1.856859426e-01 -2.612933062e-01 4.42 -5.309380409e-02 -1.748832837e-01 -2.467259822e-01 4.44 -5.006380563e-02 -1.646031588e-01 -2.327139604e-01 4.46 -4.717417645e-02 -1.548324627e-01 -2.192492629e-01 4.48 -4.441124359e-02 -1.455541441e-01 -2.063242133e-01 4.50 -4.177972025e-02 -1.367458065e-01 -1.939310071e-01 4.52 -3.929244764e-02 -1.283835804e-01 -1.820625450e-01 4.54 -3.695896463e-02 -1.204454637e-01 -1.707123541e-01 4.56 -3.478516882e-02 -1.129104124e-01 -1.598730398e-01 4.58 -3.277271576e-02 -1.057585623e-01 -1.495382288e-01 4.60 -3.091862056e-02 -9.897392689e-02 -1.397026222e-01 4.62 -2.921520318e-02 -9.254115282e-02 -1.303614522e-01 4.64 -2.765044789e-02 -8.644633848e-02 -1.215091294e-01 4.66 -2.621132780e-02 -8.067912431e-02 -1.131381879e-01 4.68 -2.488708311e-02 -7.523228330e-02 -1.052427313e-01 4.70 -2.366582481e-02 -7.010127238e-02 -9.781849665e-02 4.72 -2.253501545e-02 -6.528380108e-02 -9.086286670e-02 4.74 -2.148237343e-02 -6.078021878e-02 -8.437697967e-02 4.76 -2.049658183e-02 -5.659271306e-02 -7.836020786e-02 4.78 -1.956777676e-02 -5.272586635e-02 -7.281173726e-02 4.80 -1.868782529e-02 -4.915799640e-02 -6.769390319e-02 4.82 -1.785042645e-02 -4.575337721e-02 -6.280191642e-02 4.84 -1.705107955e-02 -4.249187605e-02 -5.810260641e-02 4.86 -1.628696501e-02 -3.937372107e-02 -5.359560058e-02 4.88 -1.555677561e-02 -3.639978824e-02 -4.928414978e-02 4.90 -1.486052643e-02 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