# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Cu # implementation = 2025--Sharifi-H--Cr-Ni-Cu--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 Ni Cu Cu Cr Cu Ni Ni Cr Ni Cr Cr 0.02 4.788443024e+05 4.954943043e+05 1.904572156e+04 4.627988409e+05 1.883190819e+04 6.540873203e+02 0.04 1.999800249e+05 2.067715918e+05 8.815069544e+03 1.934542832e+05 8.925868524e+03 2.974270961e+02 0.06 1.137523206e+05 1.175313404e+05 5.533832323e+03 1.101353242e+05 5.731846993e+03 1.817366538e+02 0.08 7.378672299e+04 7.618510859e+04 3.949926366e+03 7.150221648e+04 4.178530392e+03 1.255085055e+02 0.10 5.156343196e+04 5.320232879e+04 3.029847247e+03 5.001136161e+04 3.267807762e+03 9.282445045e+01 0.12 3.781621181e+04 3.899033190e+04 2.433399875e+03 3.671185755e+04 2.671031210e+03 7.175739755e+01 0.14 2.869304123e+04 2.956217573e+04 2.017178547e+03 2.788203775e+04 2.249597478e+03 5.722441042e+01 0.16 2.232971480e+04 2.298867779e+04 1.710849383e+03 2.172048195e+04 1.935483502e+03 4.670291143e+01 0.18 1.772426860e+04 1.823308975e+04 1.476146115e+03 1.725883939e+04 1.691647604e+03 3.880451606e+01 0.20 1.429479388e+04 1.469336997e+04 1.290593962e+03 1.393465691e+04 1.496308988e+03 3.270530857e+01 0.22 1.168253007e+04 1.199838587e+04 1.140184671e+03 1.140112974e+04 1.335871633e+03 2.788735627e+01 0.24 9.655621288e+03 9.908314076e+03 1.015761285e+03 9.434101450e+03 1.201431232e+03 2.400993348e+01 0.26 8.058426441e+03 8.262186709e+03 9.110984822e+02 7.883078369e+03 1.086920031e+03 2.084044988e+01 0.28 6.783161326e+03 6.948548224e+03 8.218218523e+02 6.643823836e+03 9.880622196e+02 1.821516468e+01 0.30 5.753238626e+03 5.888216958e+03 7.447701107e+02 5.642257180e+03 9.017573199e+02 1.601577310e+01 0.32 4.913048328e+03 5.023710898e+03 6.776026364e+02 4.824576857e+03 8.257006806e+02 1.415486872e+01 0.34 4.221461349e+03 4.312525978e+03 6.185494208e+02 4.150981824e+03 7.581416171e+02 1.256660780e+01 0.36 3.647574978e+03 3.722734097e+03 5.662469754e+02 3.591559458e+03 6.977246527e+02 1.120054293e+01 0.38 3.167847704e+03 3.230018814e+03 5.196275693e+02 3.123516198e+03 6.433823187e+02 1.001743918e+01 0.40 2.764126630e+03 2.815634660e+03 4.778427333e+02 2.729270784e+03 5.942610891e+02 8.986373767e+00 0.42 2.422262565e+03 2.464974559e+03 4.402093278e+02 2.395115433e+03 5.496691341e+02 8.082685975e+00 0.44 2.131119032e+03 2.166544845e+03 4.061707304e+02 2.110257711e+03 5.090386968e+02 7.286499636e+00 0.46 1.881853247e+03 1.911221691e+03 3.752684713e+02 1.866125251e+03 4.718985763e+02 6.581642675e+00 0.48 1.667387034e+03 1.691704041e+03 3.471211767e+02 1.655854062e+03 4.378536798e+02 5.954845050e+00 0.50 1.482012223e+03 1.502105674e+03 3.214086981e+02 1.473906825e+03 4.065695933e+02 5.395134479e+00 0.52 1.321093710e+03 1.337648283e+03 2.978600233e+02 1.315785606e+03 3.777608132e+02 4.893376521e+00 0.54 1.180843459e+03 1.194427931e+03 2.762439498e+02 1.177813160e+03 3.511816515e+02 4.441920000e+00 0.56 1.058146875e+03 1.069235663e+03 2.563618090e+02 1.056964878e+03 3.266191289e+02 4.034320609e+00 0.58 9.504285457e+02 9.594188230e+02 2.380417471e+02 9.507388162e+02 3.038873755e+02 3.665123775e+00 0.60 8.555474180e+02 8.627727970e+02 2.211341783e+02 8.570541847e+02 2.828231693e+02 3.329692099e+00 0.62 7.717144304e+02 7.774559690e+02 2.055081438e+02 7.741715794e+02 2.632823540e+02 3.024067164e+00 0.64 6.974274403e+02 7.019225457e+02 1.910483761e+02 7.006299394e+02 2.451369410e+02 2.744858108e+00 0.66 6.314193688e+02 6.348690383e+02 1.776529087e+02 6.351963020e+02 2.282727432e+02 2.489150853e+00 0.68 5.726167215e+02 5.751914621e+02 1.652311213e+02 5.768256025e+02 2.125874318e+02 2.254433789e+00 0.70 5.201062200e+02 5.219509113e+02 1.537021292e+02 5.246283262e+02 1.979889298e+02 2.038536539e+00 0.72 4.731077646e+02 4.743456724e+02 1.429934468e+02 4.778442944e+02 1.843940719e+02 1.839579037e+00 0.74 4.309524784e+02 4.316885815e+02 1.330398736e+02 4.358213702e+02 1.717274838e+02 1.655929091e+00 0.76 3.930647630e+02 3.933885230e+02 1.237825603e+02 3.979980540e+02 1.599206367e+02 1.486166743e+00 0.78 3.589475566e+02 3.589352330e+02 1.151682203e+02 3.638891798e+02 1.489110449e+02 1.329054155e+00 0.80 3.281701996e+02 3.278867924e+02 1.071484616e+02 3.330741409e+02 1.386415838e+02 1.183510127e+00 0.82 3.003583782e+02 2.998592632e+02 9.967921811e+01 3.051871291e+02 1.290599029e+02 1.048588357e+00 0.84 2.751866121e+02 2.745180749e+02 9.272026198e+01 2.799090185e+02 1.201179222e+02 9.234588482e-01 0.86 2.531268989e+02 2.515708458e+02 8.623478460e+01 2.569606004e+02 1.117713948e+02 8.073919681e-01 0.88 2.369189433e+02 2.307613616e+02 8.018903436e+01 2.360969052e+02 1.039795277e+02 6.997446877e-01 0.90 2.248110296e+02 2.118645162e+02 7.455200217e+01 2.171024320e+02 9.670464884e+01 5.999487002e-01 0.92 2.150933386e+02 1.946820473e+02 6.929514775e+01 1.997871246e+02 8.991191640e+01 5.075001336e-01 0.94 2.066095595e+02 1.790389199e+02 6.439215951e+01 1.839829582e+02 8.356906165e+01 4.219505962e-01 0.96 1.986098460e+02 1.647802584e+02 5.981874406e+01 1.695410437e+02 7.764616162e+01 3.428993955e-01 0.98 1.906378959e+02 1.517687326e+02 5.555244030e+01 1.563291582e+02 7.211543722e+01 2.699867544e-01 1.00 1.824451825e+02 1.398823195e+02 5.157245489e+01 1.442296309e+02 6.695107300e+01 2.028878801e-01 1.02 1.739264522e+02 1.290123884e+02 4.785951611e+01 1.331250128e+02 6.212905607e+01 1.413077949e-01 1.04 1.650716574e+02 1.190620447e+02 4.439574358e+01 1.227064231e+02 5.762703133e+01 8.497681174e-02 1.06 1.559306336e+02 1.098778159e+02 4.116453172e+01 1.128558849e+02 5.342417106e+01 3.603504935e-02 1.08 1.465875622e+02 1.006654129e+02 3.815042961e+01 1.035530988e+02 4.950105725e+01 8.954065071e-02 1.10 1.371428777e+02 9.146379971e+01 3.533081639e+01 9.478192872e+01 4.583957474e+01 2.495766069e-01 1.12 1.277008207e+02 8.251005063e+01 3.266475728e+01 8.652852875e+01 4.242281437e+01 4.637947808e-01 1.14 1.183612026e+02 7.396440465e+01 3.015889688e+01 7.878000427e+01 3.923498462e+01 6.957144645e-01 1.16 1.092142876e+02 6.592898332e+01 2.781766024e+01 7.152347279e+01 3.626121929e+01 9.206616895e-01 1.18 1.003379385e+02 5.846237608e+01 2.563938362e+01 6.474544683e+01 3.355976348e+01 1.122801048e+00 1.20 9.179637201e+01 5.159102094e+01 2.361838788e+01 5.843146989e+01 3.115966972e+01 1.292822975e+00 1.22 8.364003328e+01 4.531804184e+01 2.174651096e+01 5.256594699e+01 2.898517492e+01 1.426151944e+00 1.24 7.590621004e+01 3.963006341e+01 2.001422036e+01 4.713211923e+01 2.698062983e+01 1.521570680e+00 1.26 6.862011275e+01 3.450243739e+01 1.841140510e+01 4.211214161e+01 2.510635044e+01 1.580170272e+00 1.28 6.179621715e+01 2.990321313e+01 1.692792321e+01 3.748723073e+01 2.333481168e+01 1.604552585e+00 1.30 5.543971939e+01 2.579612199e+01 1.555396557e+01 3.323785540e+01 2.164760155e+01 1.598235746e+00 1.32 4.954800667e+01 2.214279285e+01 1.428028329e+01 2.934394994e+01 2.003300189e+01 1.565216795e+00 1.34 4.411207031e+01 1.890436756e+01 1.309831757e+01 2.578513409e+01 1.848408929e+01 1.509656407e+00 1.36 3.911781809e+01 1.604265299e+01 1.200026433e+01 2.254092813e+01 1.699726087e+01 1.435657341e+00 1.38 3.454726168e+01 1.352091593e+01 1.097907547e+01 1.959095496e+01 1.557110507e+01 1.347114597e+00 1.40 3.037956468e+01 1.130440623e+01 1.002842849e+01 1.691512357e+01 1.420555210e+01 1.247619742e+00 1.42 2.659194987e+01 9.360675047e+00 9.142679011e+00 1.449379077e+01 1.290124733e+01 1.140404641e+00 1.44 2.316046943e+01 7.659739491e+00 8.316801714e+00 1.230789933e+01 1.165910168e+01 1.028310808e+00 1.46 2.006064561e+01 6.174135775e+00 7.546326275e+00 1.033909233e+01 1.047998081e+01 9.137902971e-01 1.48 1.726799332e+01 4.878891588e+00 6.827272569e+00 8.569804248e+00 9.364501390e+00 7.989196848e-01 1.50 1.475843629e+01 3.751442094e+00 6.156088239e+00 6.983329915e+00 8.312909208e+00 6.854210409e-01 1.52 1.250862984e+01 2.771509060e+00 5.529590607e+00 5.563873368e+00 7.325018073e+00 5.746890450e-01 1.54 1.049620240e+01 1.920956091e+00 4.944913117e+00 4.296578166e+00 6.400193250e+00 4.678216929e-01 1.56 8.699927893e+00 1.183631264e+00 4.399448507e+00 3.167541537e+00 5.537366101e+00 3.656524822e-01 1.58 7.099840229e+00 5.452050601e-01 3.890813690e+00 2.163814621e+00 4.735069594e+00 2.687826353e-01 1.60 5.677299571e+00 -6.991532406e-03 3.416824113e+00 1.273390540e+00 3.991486960e+00 1.776124476e-01 1.62 4.415019805e+00 -4.841239578e-01 2.975464018e+00 4.851827098e-01 3.304507205e+00 9.237096793e-02 1.64 3.297065089e+00 -8.960037601e-01 2.564861300e+00 -2.110048446e-01 2.671783098e+00 1.314551209e-02 1.66 2.308821976e+00 -1.251229513e+00 2.183266711e+00 -8.245136511e-01 2.090788485e+00 -6.008779955e-02 1.68 1.436953636e+00 -1.557317467e+00 1.829036892e+00 -1.363871482e+00 1.558872488e+00 -1.274486061e-01 1.70 6.693406577e-01 -1.820821962e+00 1.500620734e+00 -1.836836508e+00 1.073309292e+00 -1.891338778e-01 1.72 -4.987369209e-03 -2.047445458e+00 1.196548564e+00 -2.250443662e+00 6.313425743e-01 -2.453993303e-01 1.74 -5.959257183e-01 -2.242138160e+00 9.154236990e-01 -2.611051967e+00 2.302241486e-01 -2.965431204e-01 1.76 -1.112371627e+00 -2.409188076e+00 6.559159470e-01 -2.924392267e+00 -1.327531873e-01 -3.428916752e-01 1.78 -1.562302107e+00 -2.552301787e+00 4.167584534e-01 -3.195614473e+00 -4.602284935e-01 -3.847875424e-01 1.80 -1.952850732e+00 -2.674676553e+00 1.967544943e-01 -3.429333743e+00 -7.547508510e-01 -4.225791055e-01 1.82 -2.290384976e+00 -2.779064578e+00 -5.235652063e-03 -3.629675025e+00 -1.018762409e+00 -4.566120088e-01 1.84 -2.580608481e+00 -2.867828641e+00 -1.903013054e-01 -3.800315739e+00 -1.254585825e+00 -4.872221490e-01 1.86 -2.828657808e+00 -2.942992938e+00 -3.594827412e-01 -3.944526367e+00 -1.464415554e+00 -5.147300807e-01 1.88 -3.039159492e+00 -3.006289148e+00 -5.137736757e-01 -4.065208808e+00 -1.650312484e+00 -5.394368620e-01 1.90 -3.216278167e+00 -3.059195460e+00 -6.541214983e-01 -4.164932226e+00 -1.814201390e+00 -5.616255060e-01 1.92 -3.363760306e+00 -3.102970808e+00 -7.814273727e-01 -4.245966471e+00 -1.957870756e+00 -5.815580806e-01 1.94 -3.484973944e+00 -3.138684849e+00 -8.965463828e-01 -4.310313064e+00 -2.082974530e+00 -5.994682287e-01 1.96 -3.582944655e+00 -3.167244128e+00 -1.000287777e+00 -4.359733686e+00 -2.191035417e+00 -6.155606982e-01 1.98 -3.660388280e+00 -3.189414935e+00 -1.093415342e+00 -4.395776385e+00 -2.283449544e+00 -6.300118584e-01 2.00 -3.719740602e+00 -3.205843216e+00 -1.176647937e+00 -4.419799502e+00 -2.361498766e+00 -6.429707218e-01 2.02 -3.763184243e+00 -3.217071860e+00 -1.250660187e+00 -4.432996272e+00 -2.426373410e+00 -6.545603692e-01 2.04 -3.792673138e+00 -3.223555765e+00 -1.316083501e+00 -4.436437131e+00 -2.479182180e+00 -6.648803042e-01 2.06 -3.809954689e+00 -3.225674884e+00 -1.373510011e+00 -4.431100446e+00 -2.520957152e+00 -6.740121939e-01 2.08 -3.816589867e+00 -3.223747986e+00 -1.423497961e+00 -4.417881444e+00 -2.552658453e+00 -6.820245590e-01 2.10 -3.813971481e+00 -3.218060140e+00 -1.466573826e+00 -4.397599060e+00 -2.575178651e+00 -6.889752681e-01 2.12 -3.803340702e+00 -3.208880312e+00 -1.503233829e+00 -4.371002213e+00 -2.589346905e+00 -6.949137513e-01 2.14 -3.785802069e+00 -3.196463067e+00 -1.533945414e+00 -4.338775575e+00 -2.595932864e+00 -6.998830095e-01 2.16 -3.762337096e+00 -3.181049242e+00 -1.559148662e+00 -4.301544884e+00 -2.595650358e+00 -7.039213940e-01 2.18 -3.733816577e+00 -3.162866597e+00 -1.579257655e+00 -4.259881798e+00 -2.589160872e+00 -7.070626140e-01 2.20 -3.701011766e+00 -3.142130428e+00 -1.594661793e+00 -4.214308381e+00 -2.577076841e+00 -7.093324765e-01 2.22 -3.664604481e+00 -3.119044162e+00 -1.605727047e+00 -4.165301200e+00 -2.559964756e+00 -7.107559744e-01 2.24 -3.625196253e+00 -3.093799923e+00 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