# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni # implementation = 2025--Sharifi-H--Fe-Ni--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-07-01 r Ni Ni Fe Fe Fe Ni 0.02 4.627988409e+05 4.000875199e+05 4.301791529e+05 0.04 1.934542832e+05 1.675325584e+05 1.799099401e+05 0.06 1.101353242e+05 9.548852264e+04 1.024387192e+05 0.08 7.150221648e+04 6.204120064e+04 6.649718851e+04 0.10 5.001136161e+04 4.341559740e+04 4.649527053e+04 0.12 3.671185755e+04 3.187892766e+04 3.411336853e+04 0.14 2.788203775e+04 2.421338265e+04 2.589090396e+04 0.16 2.172048195e+04 1.886035540e+04 2.015226332e+04 0.18 1.725883939e+04 1.498155631e+04 1.599647958e+04 0.20 1.393465691e+04 1.208985465e+04 1.290012311e+04 0.22 1.140112974e+04 9.884764039e+03 1.054038649e+04 0.24 9.434101450e+03 8.171982361e+03 8.708581416e+03 0.26 7.883078369e+03 6.820996645e+03 7.264567354e+03 0.28 6.643823836e+03 5.741359459e+03 6.111253442e+03 0.30 5.642257180e+03 4.868749574e+03 5.179617333e+03 0.32 4.824576857e+03 4.156420575e+03 4.419515019e+03 0.34 4.150981824e+03 3.569764456e+03 3.793838515e+03 0.36 3.591559458e+03 3.082750729e+03 3.274689314e+03 0.38 3.123516198e+03 2.675527836e+03 2.840801088e+03 0.40 2.729270784e+03 2.332771206e+03 2.475764906e+03 0.42 2.395115433e+03 2.042522934e+03 2.166782857e+03 0.44 2.110257711e+03 1.795360987e+03 1.903775861e+03 0.46 1.866125251e+03 1.583796014e+03 1.678736062e+03 0.48 1.655854062e+03 1.401827125e+03 1.485250070e+03 0.50 1.473906825e+03 1.244610302e+03 1.318143194e+03 0.52 1.315785606e+03 1.108208636e+03 1.173211578e+03 0.54 1.177813160e+03 9.894020459e+02 1.047018206e+03 0.56 1.056964878e+03 8.855409446e+02 9.367360871e+02 0.58 9.507388162e+02 7.944329653e+02 8.400269272e+02 0.60 8.570541847e+02 7.142544237e+02 7.549463280e+02 0.62 7.741715794e+02 6.434806809e+02 6.798692603e+02 0.64 7.006299394e+02 5.808310654e+02 6.134311441e+02 0.66 6.351963020e+02 5.252249402e+02 5.544808686e+02 0.68 5.768256025e+02 4.757465247e+02 5.020431929e+02 0.70 5.246283262e+02 4.316165687e+02 4.552884794e+02 0.72 4.778442944e+02 3.921693794e+02 4.135081591e+02 0.74 4.358213702e+02 3.568341505e+02 3.760947966e+02 0.76 3.979980540e+02 3.251196896e+02 3.425257904e+02 0.78 3.638891798e+02 2.966018623e+02 3.123499768e+02 0.80 3.330741409e+02 2.709132492e+02 2.851765982e+02 0.82 3.051871291e+02 2.477345700e+02 2.606661579e+02 0.84 2.799090185e+02 2.267875477e+02 2.385228146e+02 0.86 2.569606004e+02 2.078289608e+02 2.184880422e+02 0.88 2.360969052e+02 1.906456484e+02 2.003353086e+02 0.90 2.171024320e+02 1.750503133e+02 1.838656047e+02 0.92 1.997871246e+02 1.608779817e+02 1.689036731e+02 0.94 1.839829582e+02 1.479829998e+02 1.552948104e+02 0.96 1.695410437e+02 1.362364852e+02 1.429032015e+02 0.98 1.563291582e+02 1.255246901e+02 1.318870890e+02 1.00 1.442296309e+02 1.154488517e+02 1.221852263e+02 1.02 1.331250128e+02 1.053619247e+02 1.134783119e+02 1.04 1.227064231e+02 9.551484895e+01 1.055354308e+02 1.06 1.128558849e+02 8.610845183e+01 9.819188951e+01 1.08 1.035530988e+02 7.726883824e+01 9.133240226e+01 1.10 9.478192872e+01 6.906694180e+01 8.487799005e+01 1.12 8.652852875e+01 6.153357747e+01 7.877587595e+01 1.14 7.878000427e+01 5.467097347e+01 7.299176412e+01 1.16 7.152347279e+01 4.846155540e+01 6.750400420e+01 1.18 6.474544683e+01 4.287457436e+01 6.229924718e+01 1.20 5.843146989e+01 3.787106516e+01 5.736926221e+01 1.22 5.256594699e+01 3.340750793e+01 5.270865457e+01 1.24 4.713211923e+01 2.943848831e+01 4.831327601e+01 1.26 4.211214161e+01 2.591859236e+01 4.417915891e+01 1.28 3.748723073e+01 2.280371524e+01 4.030184366e+01 1.30 3.323785540e+01 2.005192865e+01 3.667599423e+01 1.32 2.934394994e+01 1.762401721e+01 3.329522176e+01 1.34 2.578513409e+01 1.548377063e+01 3.015205315e+01 1.36 2.254092813e+01 1.359809925e+01 2.723799755e+01 1.38 1.959095496e+01 1.193702262e+01 2.454367423e+01 1.40 1.691512357e+01 1.047357218e+01 2.205897466e+01 1.42 1.449379077e+01 9.183636983e+00 1.977323987e+01 1.44 1.230789933e+01 8.045772174e+00 1.767543903e+01 1.46 1.033909233e+01 7.040990280e+00 1.575433990e+01 1.48 8.569804248e+00 6.152545446e+00 1.399866502e+01 1.50 6.983329915e+00 5.365719107e+00 1.239722998e+01 1.52 5.563873368e+00 4.667613481e+00 1.093906207e+01 1.54 4.296578166e+00 4.046955723e+00 9.613498482e+00 1.56 3.167541537e+00 3.493915675e+00 8.410263378e+00 1.58 2.163814621e+00 2.999938413e+00 7.319524855e+00 1.60 1.273390540e+00 2.557591451e+00 6.331931512e+00 1.62 4.851827098e-01 2.160426420e+00 5.438628046e+00 1.64 -2.110048446e-01 1.802855806e+00 4.631248686e+00 1.66 -8.245136511e-01 1.480043775e+00 3.901886710e+00 1.68 -1.363871482e+00 1.187808857e+00 3.243039167e+00 1.70 -1.836836508e+00 9.225379902e-01 2.647527510e+00 1.72 -2.250443662e+00 6.811110059e-01 2.108399915e+00 1.74 -2.611051967e+00 4.608346532e-01 1.618830409e+00 1.76 -2.924392267e+00 2.593849439e-01 1.172044278e+00 1.78 -3.195614473e+00 7.475703760e-02 7.613216831e-01 1.80 -3.429333743e+00 -9.477821362e-02 3.801566834e-01 1.82 -3.629675025e+00 -2.507119663e-01 2.266822073e-02 1.84 -3.800315739e+00 -3.943299262e-01 -3.156762932e-01 1.86 -3.944526367e+00 -5.267400961e-01 -6.370981401e-01 1.88 -4.065208808e+00 -6.488966099e-01 -9.406741372e-01 1.90 -4.164932226e+00 -7.616215339e-01 -1.222339005e+00 1.92 -4.245966471e+00 -8.656229785e-01 -1.476368377e+00 1.94 -4.310313064e+00 -9.615105543e-01 -1.698070509e+00 1.96 -4.359733686e+00 -1.049808673e+00 -1.886149662e+00 1.98 -4.395776385e+00 -1.130969246e+00 -2.043108226e+00 2.00 -4.419799502e+00 -1.205397424e+00 -2.173711949e+00 2.02 -4.432996272e+00 -1.273475346e+00 -2.283019555e+00 2.04 -4.436437131e+00 -1.335565656e+00 -2.375201230e+00 2.06 -4.431100446e+00 -1.392012550e+00 -2.453284419e+00 2.08 -4.417881444e+00 -1.443142753e+00 -2.519382353e+00 2.10 -4.397599060e+00 -1.489266455e+00 -2.575011541e+00 2.12 -4.371002213e+00 -1.530678171e+00 -2.621333115e+00 2.14 -4.338775575e+00 -1.567657728e+00 -2.659298586e+00 2.16 -4.301544884e+00 -1.600471608e+00 -2.689727959e+00 2.18 -4.259881798e+00 -1.629372933e+00 -2.713349353e+00 2.20 -4.214308381e+00 -1.654601883e+00 -2.730819226e+00 2.22 -4.165301200e+00 -1.676386345e+00 -2.742733516e+00 2.24 -4.113295100e+00 -1.694942531e+00 -2.749634698e+00 2.26 -4.058686664e+00 -1.710475540e+00 -2.752017027e+00 2.28 -4.001837390e+00 -1.723179895e+00 -2.750330900e+00 2.30 -3.943076599e+00 -1.733240035e+00 -2.744986706e+00 2.32 -3.882704111e+00 -1.740830788e+00 -2.736358341e+00 2.34 -3.820992693e+00 -1.746117800e+00 -2.724786403e+00 2.36 -3.758190304e+00 -1.749257955e+00 -2.710581124e+00 2.38 -3.694522150e+00 -1.750399767e+00 -2.694025044e+00 2.40 -3.630192574e+00 -1.749683746e+00 -2.675375444e+00 2.42 -3.565386782e+00 -1.747242762e+00 -2.654867444e+00 2.44 -3.500272426e+00 -1.743202379e+00 -2.632717602e+00 2.46 -3.435001060e+00 -1.737681157e+00 -2.609123115e+00 2.48 -3.369709467e+00 -1.730790474e+00 -2.584262990e+00 2.50 -3.304520680e+00 -1.722634985e+00 -2.558299647e+00 2.52 -3.239540871e+00 -1.713313450e+00 -2.531380386e+00 2.54 -3.174861427e+00 -1.702919020e+00 -2.503638719e+00 2.56 -3.110564697e+00 -1.691539491e+00 -2.475195594e+00 2.58 -3.046724868e+00 -1.679257561e+00 -2.446160499e+00 2.60 -2.983408594e+00 -1.666151070e+00 -2.416632486e+00 2.62 -2.920675564e+00 -1.652293241e+00 -2.386701093e+00 2.64 -2.858579042e+00 -1.637752910e+00 -2.356447196e+00 2.66 -2.797166355e+00 -1.622594755e+00 -2.325943787e+00 2.68 -2.736479359e+00 -1.606879505e+00 -2.295256678e+00 2.70 -2.676554860e+00 -1.590664157e+00 -2.264445157e+00 2.72 -2.617425017e+00 -1.574002173e+00 -2.233562577e+00 2.74 -2.559117705e+00 -1.556943673e+00 -2.202656899e+00 2.76 -2.501656861e+00 -1.539535619e+00 -2.171771187e+00 2.78 -2.445062804e+00 -1.521821993e+00 -2.140944061e+00 2.80 -2.389352528e+00 -1.503843960e+00 -2.110210110e+00 2.82 -2.334539981e+00 -1.485640027e+00 -2.079600263e+00 2.84 -2.280636320e+00 -1.467246196e+00 -2.049142137e+00 2.86 -2.227650148e+00 -1.448696101e+00 -2.018860347e+00 2.88 -2.175587736e+00 -1.430021146e+00 -1.988776785e+00 2.90 -2.124453228e+00 -1.411250628e+00 -1.958910884e+00 2.92 -2.074248831e+00 -1.392411858e+00 -1.929279846e+00 2.94 -2.024974989e+00 -1.373530273e+00 -1.899898857e+00 2.96 -1.976630551e+00 -1.354629540e+00 -1.870781280e+00 2.98 -1.929212918e+00 -1.335731659e+00 -1.841938828e+00 3.00 -1.882718183e+00 -1.316857054e+00 -1.813381721e+00 3.02 -1.837141261e+00 -1.298024664e+00 -1.785118832e+00 3.04 -1.792476008e+00 -1.279252027e+00 -1.757157815e+00 3.06 -1.748715329e+00 -1.260555356e+00 -1.729505220e+00 3.08 -1.705851280e+00 -1.241949621e+00 -1.702166605e+00 3.10 -1.663875163e+00 -1.223448613e+00 -1.675146627e+00 3.12 -1.622777608e+00 -1.205065015e+00 -1.648449132e+00 3.14 -1.582548653e+00 -1.186810466e+00 -1.622077232e+00 3.16 -1.543177817e+00 -1.168695620e+00 -1.596033377e+00 3.18 -1.504654165e+00 -1.150730204e+00 -1.570319420e+00 3.20 -1.466966368e+00 -1.132923072e+00 -1.544936674e+00 3.22 -1.430102760e+00 -1.115282259e+00 -1.519885966e+00 3.24 -1.394051389e+00 -1.097815024e+00 -1.495167686e+00 3.26 -1.358800059e+00 -1.080527905e+00 -1.470781825e+00 3.28 -1.324336378e+00 -1.063426754e+00 -1.446728022e+00 3.30 -1.290647792e+00 -1.046516785e+00 -1.423005591e+00 3.32 -1.257721624e+00 -1.029802611e+00 -1.399613560e+00 3.34 -1.225545102e+00 -1.013288281e+00 -1.376550696e+00 3.36 -1.194105390e+00 -9.969773171e-01 -1.353815532e+00 3.38 -1.163389613e+00 -9.808727464e-01 -1.331406390e+00 3.40 -1.133384883e+00 -9.649771340e-01 -1.309321406e+00 3.42 -1.104078320e+00 -9.492926129e-01 -1.287558542e+00 3.44 -1.075457068e+00 -9.338209119e-01 -1.266115612e+00 3.46 -1.047508319e+00 -9.185633833e-01 -1.244990292e+00 3.48 -1.020219323e+00 -9.035210279e-01 -1.224180135e+00 3.50 -9.935774036e-01 -8.886945193e-01 -1.203682587e+00 3.52 -9.675699743e-01 -8.740842269e-01 -1.183494996e+00 3.54 -9.421845458e-01 -8.596902371e-01 -1.163614623e+00 3.56 -9.174087381e-01 -8.455123740e-01 -1.144038652e+00 3.58 -8.932302893e-01 -8.315502184e-01 -1.124764199e+00 3.60 -8.696370638e-01 -8.178031260e-01 -1.105788318e+00 3.62 -8.466170594e-01 -8.042702446e-01 -1.087108013e+00 3.64 -8.241584136e-01 -7.909505304e-01 -1.068720238e+00 3.66 -8.022494090e-01 -7.778427627e-01 -1.050621907e+00 3.68 -7.808784784e-01 -7.649455591e-01 -1.032809899e+00 3.70 -7.600342087e-01 -7.522573882e-01 -1.015281062e+00 3.72 -7.397053447e-01 -7.397765830e-01 -9.980322178e-01 3.74 -7.198807919e-01 -7.275013524e-01 -9.810601671e-01 3.76 -7.005496190e-01 -7.154297929e-01 -9.643616914e-01 3.78 -6.817010604e-01 -7.035598989e-01 -9.479335577e-01 3.80 -6.633245172e-01 -6.918895730e-01 -9.317725212e-01 3.82 -6.454095591e-01 -6.804166350e-01 -9.158753286e-01 3.84 -6.279459249e-01 -6.691388310e-01 -9.002387204e-01 3.86 -6.109235234e-01 -6.580538414e-01 -8.848594335e-01 3.88 -5.943324336e-01 -6.471592889e-01 -8.697342034e-01 3.90 -5.781629049e-01 -6.364527455e-01 -8.548597666e-01 3.92 -5.624053566e-01 -6.259317394e-01 -8.402328624e-01 3.94 -5.470503782e-01 -6.155937616e-01 -8.258502345e-01 3.96 -5.320887280e-01 -6.054362713e-01 -8.117086331e-01 3.98 -5.175113331e-01 -5.954567017e-01 -7.978048163e-01 4.00 -5.033092879e-01 -5.856524654e-01 -7.841355516e-01 4.02 -4.894738534e-01 -5.760209589e-01 -7.706976175e-01 4.04 -4.759964561e-01 -5.665595672e-01 -7.574878043e-01 4.06 -4.628686863e-01 -5.572656679e-01 -7.445029161e-01 4.08 -4.500822969e-01 -5.481366354e-01 -7.317397713e-01 4.10 -4.376292020e-01 -5.391698438e-01 -7.191952039e-01 4.12 -4.255014750e-01 -5.303626710e-01 -7.068660649e-01 4.14 -4.136913474e-01 -5.217125014e-01 -6.947492226e-01 4.16 -4.021912065e-01 -5.132167288e-01 -6.828415642e-01 4.18 -3.909935939e-01 -5.048727589e-01 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