# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Cr-Fe # implementation = 2025--Sharifi-H--Cu-Cr-Fe--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 Cu Fe Fe Fe Cu Cu Cr Cu Cr Fe Cr Cr 0.02 4.452269976e+05 4.000875199e+05 4.954943043e+05 1.904572156e+04 1.675293335e+04 6.540873203e+02 0.04 1.861054927e+05 1.675325584e+05 2.067715918e+05 8.815069544e+03 7.593945975e+03 2.974270961e+02 0.06 1.059234251e+05 9.548852264e+04 1.175313404e+05 5.533832323e+03 4.666495474e+03 1.817366538e+02 0.08 6.873634714e+04 6.204120064e+04 7.618510859e+04 3.949926366e+03 3.261162499e+03 1.255085055e+02 0.10 4.804713370e+04 4.341559740e+04 5.320232879e+04 3.029847247e+03 2.450943549e+03 9.282445045e+01 0.12 3.524305732e+04 3.187892766e+04 3.899033190e+04 2.433399875e+03 1.930577603e+03 7.175739755e+01 0.14 2.674231070e+04 2.421338265e+04 2.956217573e+04 2.017178547e+03 1.569320650e+03 5.722441042e+01 0.16 2.081086835e+04 1.886035540e+04 2.298867779e+04 1.710849383e+03 1.298237293e+03 4.670291143e+01 0.18 1.651647991e+04 1.498155631e+04 1.823308975e+04 1.476146115e+03 1.087310842e+03 3.880451606e+01 0.20 1.331760139e+04 1.208985465e+04 1.469336997e+04 1.290593962e+03 9.192325137e+02 3.270530857e+01 0.22 1.088028826e+04 9.884764039e+03 1.199838587e+04 1.140184671e+03 7.828529166e+02 2.788735627e+01 0.24 8.988675462e+03 8.171982361e+03 9.908314076e+03 1.015761285e+03 6.706318636e+02 2.400993348e+01 0.26 7.497820611e+03 6.820996645e+03 8.262186709e+03 9.110984822e+02 5.772633398e+02 2.084044988e+01 0.28 6.307320131e+03 5.741359459e+03 6.948548224e+03 8.218218523e+02 4.988886093e+02 1.821516468e+01 0.30 5.345808080e+03 4.868749574e+03 5.888216958e+03 7.447701107e+02 4.326237631e+02 1.601577310e+01 0.32 4.561447135e+03 4.156420575e+03 5.023710898e+03 6.776026364e+02 3.762635898e+02 1.415486872e+01 0.34 3.915883674e+03 3.569764456e+03 4.312525978e+03 6.185494208e+02 3.280890957e+02 1.256660780e+01 0.36 3.380288658e+03 3.082750729e+03 3.722734097e+03 5.662469754e+02 2.867384554e+02 1.120054293e+01 0.38 2.932691149e+03 2.675527836e+03 3.230018814e+03 5.196275693e+02 2.511178617e+02 1.001743918e+01 0.40 2.556142247e+03 2.332771206e+03 2.815634660e+03 4.778427333e+02 2.203384230e+02 8.986373767e+00 0.42 2.237425789e+03 2.042522934e+03 2.464974559e+03 4.402093278e+02 1.936705146e+02 8.082685975e+00 0.44 1.966135541e+03 1.795360987e+03 2.166544845e+03 4.061707304e+02 1.705100359e+02 7.286499636e+00 0.46 1.734005461e+03 1.583796014e+03 1.911221691e+03 3.752684713e+02 1.503530693e+02 6.581642675e+00 0.48 1.534416714e+03 1.401827125e+03 1.691704041e+03 3.471211767e+02 1.327765435e+02 5.954845050e+00 0.50 1.362029872e+03 1.244610302e+03 1.502105674e+03 3.214086981e+02 1.174232479e+02 5.395134479e+00 0.52 1.212508033e+03 1.108208636e+03 1.337648283e+03 2.978600233e+02 1.039901028e+02 4.893376521e+00 0.54 1.082255643e+03 9.894020459e+02 1.194427931e+03 2.762439498e+02 9.221885936e+01 4.441920000e+00 0.56 9.637655487e+02 8.855409446e+02 1.069235663e+03 2.563618090e+02 8.188864717e+01 4.034320609e+00 0.58 8.538701955e+02 7.944329653e+02 9.594188230e+02 2.380417471e+02 7.280996100e+01 3.665123775e+00 0.60 7.531682447e+02 7.142544237e+02 8.627727970e+02 2.211341783e+02 6.481975502e+01 3.329692099e+00 0.62 6.617587389e+02 6.434806809e+02 7.774559690e+02 2.055081438e+02 5.777741321e+01 3.024067164e+00 0.64 5.794167273e+02 5.808310654e+02 7.019225457e+02 1.910483761e+02 5.156142030e+01 2.744858108e+00 0.66 5.057117226e+02 5.252249402e+02 6.348690383e+02 1.776529087e+02 4.606658556e+01 2.489150853e+00 0.68 4.400910316e+02 4.757465247e+02 5.751914621e+02 1.652311213e+02 4.120171869e+01 2.254433789e+00 0.70 3.819379469e+02 4.316165687e+02 5.219509113e+02 1.537021292e+02 3.688767345e+01 2.038536539e+00 0.72 3.306118914e+02 3.921693794e+02 4.743456724e+02 1.429934468e+02 3.305568840e+01 1.839579037e+00 0.74 2.854755886e+02 3.568341505e+02 4.316885815e+02 1.330398736e+02 2.964597737e+01 1.655929091e+00 0.76 2.459129655e+02 3.251196896e+02 3.933885230e+02 1.237825603e+02 2.660652519e+01 1.486166743e+00 0.78 2.113404209e+02 2.966018623e+02 3.589352330e+02 1.151682203e+02 2.389205407e+01 1.329054155e+00 0.80 1.812134056e+02 2.709132492e+02 3.278867924e+02 1.071484616e+02 2.146313558e+01 1.183510127e+00 0.82 1.550296957e+02 2.477345700e+02 2.998592632e+02 9.967921811e+01 1.928542387e+01 1.048588357e+00 0.84 1.323303698e+02 2.267875477e+02 2.745180749e+02 9.272026198e+01 1.732899226e+01 9.234588482e-01 0.86 1.126992390e+02 2.078289608e+02 2.515708458e+02 8.623478460e+01 1.556775905e+01 8.073919681e-01 0.88 9.576123800e+01 1.906456484e+02 2.307613616e+02 8.018903436e+01 1.397898807e+01 6.997446877e-01 0.90 8.118017097e+01 1.750503133e+02 2.118645162e+02 7.455200217e+01 1.254285471e+01 5.999487002e-01 0.92 6.865608826e+01 1.608779817e+02 1.946820473e+02 6.929514775e+01 1.124206850e+01 5.075001336e-01 0.94 5.792247327e+01 1.479829998e+02 1.790389199e+02 6.439215951e+01 1.006154375e+01 4.219505962e-01 0.96 4.874338805e+01 1.362364852e+02 1.647802584e+02 5.981874406e+01 8.988112723e+00 3.428993955e-01 0.98 4.091066525e+01 1.255246901e+02 1.517687326e+02 5.555244030e+01 8.010275522e+00 2.699867544e-01 1.00 3.424120291e+01 1.154488517e+02 1.398823195e+02 5.157245489e+01 7.117981772e+00 2.028878801e-01 1.02 2.857441328e+01 1.053619247e+02 1.290123884e+02 4.785951611e+01 6.302440589e+00 1.413077949e-01 1.04 2.376983893e+01 9.551484895e+01 1.190620447e+02 4.439574358e+01 5.555954730e+00 8.497681174e-02 1.06 1.970494819e+01 8.610845183e+01 1.098778159e+02 4.116453172e+01 4.871776029e+00 3.603504935e-02 1.08 1.627311851e+01 7.726883824e+01 1.006654129e+02 3.815042961e+01 4.243979739e+00 8.954065071e-02 1.10 1.338179707e+01 6.906694180e+01 9.146379971e+01 3.533081639e+01 3.667355119e+00 2.495766069e-01 1.12 1.095083760e+01 6.153357747e+01 8.251005063e+01 3.266475728e+01 3.137310396e+00 4.637947808e-01 1.14 8.911004407e+00 5.467097347e+01 7.396440465e+01 3.015889688e+01 2.649790274e+00 6.957144645e-01 1.16 7.202629115e+00 4.846155540e+01 6.592898332e+01 2.781766024e+01 2.201204330e+00 9.206616895e-01 1.18 5.774411799e+00 4.287457436e+01 5.846237608e+01 2.563938362e+01 1.788364983e+00 1.122801048e+00 1.20 4.582354188e+00 3.787106516e+01 5.159102094e+01 2.361838788e+01 1.408433937e+00 1.292822975e+00 1.22 3.588812740e+00 3.340750793e+01 4.531804184e+01 2.174651096e+01 1.058875897e+00 1.426151944e+00 1.24 2.761662885e+00 2.943848831e+01 3.963006341e+01 2.001422036e+01 7.374185906e-01 1.521570680e+00 1.26 2.073561188e+00 2.591859236e+01 3.450243739e+01 1.841140510e+01 4.420183073e-01 1.580170272e+00 1.28 1.501296296e+00 2.280371524e+01 2.990321313e+01 1.692792321e+01 1.708302477e-01 1.604552585e+00 1.30 1.025219181e+00 2.005192865e+01 2.579612199e+01 1.555396557e+01 -7.781696704e-02 1.598235746e+00 1.32 6.287417307e-01 1.762401721e+01 2.214279285e+01 1.428028329e+01 -3.054433805e-01 1.565216795e+00 1.34 2.979064119e-01 1.548377063e+01 1.890436756e+01 1.309831757e+01 -5.134452953e-01 1.509656407e+00 1.36 2.100994281e-02 1.359809925e+01 1.604265299e+01 1.200026433e+01 -7.031293365e-01 1.435657341e+00 1.38 -2.117262192e-01 1.193702262e+01 1.352091593e+01 1.097907547e+01 -8.757238770e-01 1.347114597e+00 1.40 -4.084413379e-01 1.047357218e+01 1.130440623e+01 1.002842849e+01 -1.032383411e+00 1.247619742e+00 1.42 -5.758823632e-01 9.183636983e+00 9.360675047e+00 9.142679011e+00 -1.174192610e+00 1.140404641e+00 1.44 -7.196172637e-01 8.045772174e+00 7.659739491e+00 8.316801714e+00 -1.302170146e+00 1.028310808e+00 1.46 -8.442183916e-01 7.040990280e+00 6.174135775e+00 7.546326275e+00 -1.417272330e+00 9.137902971e-01 1.48 -9.534201285e-01 6.152545446e+00 4.878891588e+00 6.827272569e+00 -1.520396555e+00 7.989196848e-01 1.50 -1.050253965e+00 5.365719107e+00 3.751442094e+00 6.156088239e+00 -1.612384556e+00 6.854210409e-01 1.52 -1.137163574e+00 4.667613481e+00 2.771509060e+00 5.529590607e+00 -1.694025522e+00 5.746890450e-01 1.54 -1.216102690e+00 4.046955723e+00 1.920956091e+00 4.944913117e+00 -1.766059044e+00 4.678216929e-01 1.56 -1.288619594e+00 3.493915675e+00 1.183631264e+00 4.399448507e+00 -1.829177973e+00 3.656524822e-01 1.58 -1.355928144e+00 2.999938413e+00 5.452050601e-01 3.890813690e+00 -1.884031056e+00 2.687826353e-01 1.60 -1.418967667e+00 2.557591451e+00 -6.991532406e-03 3.416824113e+00 -1.931225420e+00 1.776124476e-01 1.62 -1.478453350e+00 2.160426420e+00 -4.841239578e-01 2.975464018e+00 -1.971328999e+00 9.237096793e-02 1.64 -1.534918584e+00 1.802855806e+00 -8.960037601e-01 2.564861300e+00 -2.004872840e+00 1.314551209e-02 1.66 -1.588750413e+00 1.480043775e+00 -1.251229513e+00 2.183266711e+00 -2.032353296e+00 -6.008779955e-02 1.68 -1.640219058e+00 1.187808857e+00 -1.557317467e+00 1.829036892e+00 -2.054234121e+00 -1.274486061e-01 1.70 -1.689502445e+00 9.225379902e-01 -1.820821962e+00 1.500620734e+00 -2.070948454e+00 -1.891338778e-01 1.72 -1.736706486e+00 6.811110059e-01 -2.047445458e+00 1.196548564e+00 -2.082900706e+00 -2.453993303e-01 1.74 -1.781881746e+00 4.608346532e-01 -2.242138160e+00 9.154236990e-01 -2.090468354e+00 -2.965431204e-01 1.76 -1.825037556e+00 2.593849439e-01 -2.409188076e+00 6.559159470e-01 -2.094003639e+00 -3.428916752e-01 1.78 -1.866153078e+00 7.475703760e-02 -2.552301787e+00 4.167584534e-01 -2.093835167e+00 -3.847875424e-01 1.80 -1.905187185e+00 -9.477821362e-02 -2.674676553e+00 1.967544943e-01 -2.090269381e+00 -4.225791055e-01 1.82 -1.942097907e+00 -2.507119663e-01 -2.779064578e+00 -5.235652063e-03 -2.083592046e+00 -4.566120088e-01 1.84 -1.976846717e+00 -3.943299262e-01 -2.867828641e+00 -1.903013054e-01 -2.074069637e+00 -4.872221490e-01 1.86 -2.009400987e+00 -5.267400961e-01 -2.942992938e+00 -3.594827412e-01 -2.061950610e+00 -5.147300807e-01 1.88 -2.039742230e+00 -6.488966099e-01 -3.006289148e+00 -5.137736757e-01 -2.047466590e+00 -5.394368620e-01 1.90 -2.067864815e+00 -7.616215339e-01 -3.059195460e+00 -6.541214983e-01 -2.030833502e+00 -5.616255060e-01 1.92 -2.093774419e+00 -8.656229785e-01 -3.102970808e+00 -7.814273727e-01 -2.012263620e+00 -5.815580806e-01 1.94 -2.117486626e+00 -9.615105543e-01 -3.138684849e+00 -8.965463828e-01 -1.991984417e+00 -5.994682287e-01 1.96 -2.139025672e+00 -1.049808673e+00 -3.167244128e+00 -1.000287777e+00 -1.970208963e+00 -6.155606982e-01 1.98 -2.158423303e+00 -1.130969246e+00 -3.189414935e+00 -1.093415342e+00 -1.947131255e+00 -6.300118584e-01 2.00 -2.175717744e+00 -1.205397424e+00 -3.205843216e+00 -1.176647937e+00 -1.922927842e+00 -6.429707218e-01 2.02 -2.190952775e+00 -1.273475346e+00 -3.217071860e+00 -1.250660187e+00 -1.897759302e+00 -6.545603692e-01 2.04 -2.204176881e+00 -1.335565656e+00 -3.223555765e+00 -1.316083501e+00 -1.871771596e+00 -6.648803042e-01 2.06 -2.215442498e+00 -1.392012550e+00 -3.225674884e+00 -1.373510011e+00 -1.845097304e+00 -6.740121939e-01 2.08 -2.224805320e+00 -1.443142753e+00 -3.223747986e+00 -1.423497961e+00 -1.817856755e+00 -6.820245590e-01 2.10 -2.232323683e+00 -1.489266455e+00 -3.218060140e+00 -1.466573826e+00 -1.790159060e+00 -6.889752681e-01 2.12 -2.238057998e+00 -1.530678171e+00 -3.208880312e+00 -1.503233829e+00 -1.762103051e+00 -6.949137513e-01 2.14 -2.242070249e+00 -1.567657728e+00 -3.196463067e+00 -1.533945414e+00 -1.733778144e+00 -6.998830095e-01 2.16 -2.244423539e+00 -1.600471608e+00 -3.181049242e+00 -1.559148662e+00 -1.705265122e+00 -7.039213940e-01 2.18 -2.245181681e+00 -1.629372933e+00 -3.162866597e+00 -1.579257655e+00 -1.676636851e+00 -7.070626140e-01 2.20 -2.244408831e+00 -1.654601883e+00 -3.142130428e+00 -1.594661793e+00 -1.647958936e+00 -7.093324765e-01 2.22 -2.242169163e+00 -1.676386345e+00 -3.119044162e+00 -1.605727047e+00 -1.619290312e+00 -7.107559744e-01 2.24 -2.238526578e+00 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