# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Al-Mn # implementation = 2025--Sharifi-H--Co-Al-Mn--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 Al Al Al Mn Co Co Mn Mn Co Mn Al Co 0.02 1.028140289e+05 1.546737026e+04 4.307816124e+05 8.535592855e+03 2.603592936e+04 2.104396009e+05 0.04 4.400192354e+04 1.031710795e+04 1.801701080e+05 7.564245246e+03 1.584243369e+04 8.902048284e+04 0.06 2.553665024e+04 8.330846678e+03 1.025931362e+05 6.880819933e+03 1.217236030e+04 5.116734325e+04 0.08 1.685684394e+04 7.148826714e+03 6.660242451e+04 6.300277493e+03 1.013138484e+04 3.349160949e+04 0.10 1.196920789e+04 6.303335990e+03 4.657294020e+04 5.783430366e+03 8.753292181e+03 2.359753611e+04 0.12 8.910587048e+03 5.638158367e+03 3.417377209e+04 5.315325343e+03 7.717748071e+03 1.743972829e+04 0.14 6.858160167e+03 5.085819453e+03 2.593965471e+04 4.888078684e+03 6.887963407e+03 1.332913743e+04 0.16 5.410802380e+03 4.612005392e+03 2.019271284e+04 4.496575714e+03 6.195465088e+03 1.044524509e+04 0.18 4.351605415e+03 4.197096762e+03 1.603076639e+04 4.137029258e+03 5.601885903e+03 8.345679106e+03 0.20 3.553960781e+03 3.828812156e+03 1.292968224e+04 3.806395640e+03 5.083784021e+03 6.772866446e+03 0.22 2.939466088e+03 3.498881002e+03 1.056621973e+04 3.502102980e+03 4.625801193e+03 5.567641693e+03 0.24 2.457234689e+03 3.201390715e+03 8.731410747e+03 3.221910149e+03 4.217278323e+03 4.626901948e+03 0.26 2.072950668e+03 2.931901709e+03 7.284927075e+03 2.963826348e+03 3.850452274e+03 3.881258169e+03 0.28 1.762727048e+03 2.686943877e+03 6.129547928e+03 2.726061288e+03 3.519435712e+03 3.282515708e+03 0.30 1.509490653e+03 2.463715433e+03 5.196158670e+03 2.506992025e+03 3.219610896e+03 2.796313566e+03 0.32 1.300762017e+03 2.259894445e+03 4.434548282e+03 2.305139388e+03 2.947253128e+03 2.397607221e+03 0.34 1.127243071e+03 2.073516189e+03 3.807559190e+03 2.119150261e+03 2.699287838e+03 2.067796156e+03 0.36 9.818915000e+02 1.902890540e+03 3.287255585e+03 1.947783666e+03 2.473128595e+03 1.792841749e+03 0.38 8.592966724e+02 1.746544398e+03 2.852342662e+03 1.789899388e+03 2.266565546e+03 1.561998793e+03 0.40 7.552492328e+02 1.603180386e+03 2.486389463e+03 1.644448416e+03 2.077686446e+03 1.366941123e+03 0.42 6.664381665e+02 1.471646398e+03 2.176580828e+03 1.510464725e+03 1.904819317e+03 1.201146713e+03 0.44 5.902332895e+02 1.350912531e+03 1.912824018e+03 1.387058087e+03 1.746489734e+03 1.059456703e+03 0.46 5.245267649e+02 1.240053216e+03 1.687100247e+03 1.273407693e+03 1.601388358e+03 9.377545931e+02 0.48 4.676158915e+02 1.138233077e+03 1.492987289e+03 1.168756455e+03 1.468345718e+03 8.327294564e+02 0.50 4.181151742e+02 1.044695510e+03 1.325303243e+03 1.072405857e+03 1.346312268e+03 7.416987161e+02 0.52 3.748897255e+02 9.587533077e+02 1.179838313e+03 9.837112971e+02 1.234342344e+03 6.624742788e+02 0.54 3.370042203e+02 8.797808369e+02 1.053150549e+03 9.020778322e+02 1.131581058e+03 5.932602342e+02 0.56 3.036833835e+02 8.072074257e+02 9.424088246e+02 8.269563022e+02 1.037253433e+03 5.325739257e+02 0.58 2.742811966e+02 7.405117065e+02 8.452713503e+02 7.578397724e+02 9.506552993e+02 4.791846504e+02 0.60 2.482566582e+02 6.792167246e+02 7.597907505e+02 6.942602704e+02 8.711455634e+02 4.320655786e+02 0.62 2.251545792e+02 6.228856714e+02 6.843394404e+02 6.357857862e+02 7.981395859e+02 3.903558058e+02 0.64 2.045902836e+02 5.711181359e+02 6.175506291e+02 5.820175124e+02 7.311034577e+02 3.533302350e+02 0.66 1.862373133e+02 5.235467851e+02 5.582712803e+02 5.325873003e+02 6.695490107e+02 3.203754687e+02 0.68 1.698175110e+02 4.798344116e+02 5.055244638e+02 4.871553158e+02 6.130294419e+02 2.909704394e+02 0.70 1.550929773e+02 4.396712930e+02 4.584790508e+02 4.454078771e+02 5.611354508e+02 2.646707612e+02 0.72 1.418595005e+02 4.027728195e+02 4.164251474e+02 4.070554587e+02 5.134918107e+02 2.410959968e+02 0.74 1.299411797e+02 3.688773566e+02 3.787541340e+02 3.718308494e+02 4.697543121e+02 2.199192764e+02 0.76 1.191859969e+02 3.377443121e+02 3.449423452e+02 3.394874508e+02 4.296070267e+02 2.008441297e+02 0.78 1.094621533e+02 3.091523838e+02 3.145376557e+02 3.097977056e+02 3.927598478e+02 1.829989053e+02 0.80 1.006550318e+02 2.828979675e+02 2.871484355e+02 2.825516464e+02 3.589462746e+02 1.661335642e+02 0.82 9.266466413e+01 2.587937069e+02 2.624343921e+02 2.575555534e+02 3.279214083e+02 1.503810892e+02 0.84 8.540361118e+01 2.366671719e+02 2.400989552e+02 2.346307156e+02 2.994601374e+02 1.358030230e+02 0.86 7.879518652e+01 2.163596507e+02 2.198829288e+02 2.136122848e+02 2.733554892e+02 1.224103316e+02 0.88 7.277195764e+01 1.977250455e+02 2.015591625e+02 1.943482170e+02 2.494171309e+02 1.101789404e+02 0.90 6.727448037e+01 1.806287788e+02 1.849280744e+02 1.766982938e+02 2.274700026e+02 9.906131666e+01 0.92 6.225022684e+01 1.648635155e+02 1.698138758e+02 1.605332177e+02 2.073530716e+02 8.899505130e+01 0.94 5.765267227e+01 1.498956696e+02 1.560613679e+02 1.457337769e+02 1.889181923e+02 7.990916123e+01 0.96 5.344048899e+01 1.357782525e+02 1.435332248e+02 1.321900717e+02 1.720289313e+02 7.172865592e+01 0.98 4.956436999e+01 1.225884986e+02 1.321076774e+02 1.198008012e+02 1.560591479e+02 6.437779496e+01 1.00 4.596041709e+01 1.103472862e+02 1.216765299e+02 1.084726028e+02 1.399441696e+02 5.778235623e+01 1.02 4.261633517e+01 9.904146665e+01 1.121434630e+02 9.811944214e+01 1.241264447e+02 5.187116289e+01 1.04 3.952021508e+01 8.863831681e+01 1.034225496e+02 8.866204973e+01 1.089735462e+02 4.657705873e+01 1.06 3.665791631e+01 7.909463846e+01 9.530980908e+01 8.002739960e+01 9.473104457e+01 4.183747478e+01 1.08 3.401414415e+01 7.036233196e+01 8.715041994e+01 7.214822793e+01 8.154983338e+01 3.759469966e+01 1.10 3.157322160e+01 6.239169712e+01 7.907839665e+01 6.496258818e+01 6.950848126e+01 3.379593600e+01 1.12 2.931962957e+01 5.513329882e+01 7.127829029e+01 5.841343990e+01 5.863133532e+01 3.039320772e+01 1.14 2.723837337e+01 4.853895759e+01 6.387210674e+01 5.244826893e+01 4.890306512e+01 2.734316682e+01 1.16 2.531521915e+01 4.256222842e+01 5.693485110e+01 4.701873642e+01 4.028024851e+01 2.460683352e+01 1.18 2.353683447e+01 3.715859572e+01 5.050670284e+01 4.208035456e+01 3.270048562e+01 2.214929872e+01 1.20 2.189085907e+01 3.228552526e+01 4.460243868e+01 3.759218703e+01 2.608948924e+01 1.993940757e+01 1.22 2.036592532e+01 2.790245408e+01 3.921868632e+01 3.351657230e+01 2.036651888e+01 1.794943736e+01 1.24 1.895164386e+01 2.397076178e+01 3.433946678e+01 2.981886797e+01 1.544846720e+01 1.615478168e+01 1.26 1.763856548e+01 2.045374399e+01 2.994040276e+01 2.646721466e+01 1.125286671e+01 1.453364607e+01 1.28 1.641812772e+01 1.731659491e+01 2.599188080e+01 2.343231791e+01 7.700032679e+00 1.306676018e+01 1.30 1.528259287e+01 1.452639834e+01 2.246139952e+01 2.068724674e+01 4.714525893e+00 1.173710974e+01 1.32 1.422498140e+01 1.205212371e+01 1.931528857e+01 1.820724761e+01 2.226084658e+00 1.052968860e+01 1.34 1.323900452e+01 9.864622060e+00 1.651994089e+01 1.596957251e+01 1.701486346e-01 9.431272148e+00 1.36 1.231899820e+01 7.936617665e+00 1.404267358e+01 1.395332034e+01 -1.511924488e+00 8.430211752e+00 1.38 1.145985982e+01 6.242691634e+00 1.185230548e+01 1.213929027e+01 -2.872871101e+00 7.516248920e+00 1.40 1.065698888e+01 4.759255172e+00 9.919522037e+00 1.050984639e+01 -3.959696522e+00 6.680348866e+00 1.42 9.906232158e+00 3.464511391e+00 8.217081914e+00 9.048792643e+00 -4.813962340e+00 5.914551887e+00 1.44 9.203833482e+00 2.338405292e+00 6.719906842e+00 7.741257399e+00 -5.472147512e+00 5.211840969e+00 1.46 8.546388034e+00 1.362562239e+00 5.405088406e+00 6.573586751e+00 -5.966050796e+00 4.566021544e+00 1.48 7.930801617e+00 5.202172466e-01 4.251835952e+00 5.533246029e+00 -6.323212751e+00 3.971618400e+00 1.50 7.354254837e+00 -2.038631231e-01 3.241384692e+00 4.608728822e+00 -6.567339703e+00 3.423789627e+00 1.52 6.814171068e+00 -8.234659373e-01 2.356879051e+00 3.789727663e+00 -6.718716437e+00 2.918247051e+00 1.54 6.308188170e+00 -1.351021722e+00 1.583240951e+00 3.200120604e+00 -6.794600162e+00 2.451186170e+00 1.56 5.834133729e+00 -1.797696873e+00 9.070315153e-01 3.254509853e+00 -6.809589191e+00 2.019225023e+00 1.58 5.390003498e+00 -2.173486885e+00 3.163119369e-01 3.605086230e+00 -6.775963000e+00 1.619350962e+00 1.60 4.973942613e+00 -2.487309115e+00 -1.994931640e-01 3.986127266e+00 -6.703992597e+00 1.248874256e+00 1.62 4.584229366e+00 -2.747093508e+00 -6.497264730e-01 4.259269447e+00 -6.602220179e+00 9.053878641e-01 1.64 4.219261192e+00 -2.959870340e+00 -1.042621397e+00 4.366967852e+00 -6.477709066e+00 5.867325466e-01 1.66 3.877542563e+00 -3.131854161e+00 -1.385417333e+00 4.300422466e+00 -6.336265250e+00 2.909665832e-01 1.68 3.557674605e+00 -3.268523150e+00 -1.684465835e+00 4.077966843e+00 -6.182632010e+00 1.633961771e-02 1.70 3.258346158e+00 -3.374693580e+00 -1.945327976e+00 3.730900690e+00 -6.020659873e+00 -2.387300041e-01 1.72 2.978326078e+00 -3.454589051e+00 -2.172862963e+00 3.294567286e+00 -5.853453943e+00 -4.756748474e-01 1.74 2.716456633e+00 -3.511904349e+00 -2.371308166e+00 2.803046492e+00 -5.683500750e+00 -6.957953263e-01 1.76 2.471647785e+00 -3.549863354e+00 -2.544351324e+00 2.286288481e+00 -5.512776878e+00 -9.002743968e-01 1.78 2.242872253e+00 -3.571265907e+00 -2.695195276e+00 1.768846908e+00 -5.342841363e+00 -1.090190277e+00 1.80 2.029161228e+00 -3.578541563e+00 -2.826615835e+00 1.269615027e+00 -5.174914214e+00 -1.266527466e+00 1.82 1.829600616e+00 -3.573798463e+00 -2.941013364e+00 8.021566569e-01 -5.009941774e+00 -1.430186349e+00 1.84 1.643327737e+00 -3.558862665e+00 -3.040458520e+00 3.753503142e-01 -4.848651128e+00 -1.581991536e+00 1.86 1.469528406e+00 -3.535327456e+00 -3.126732922e+00 -5.834908056e-03 -4.691595573e+00 -1.722699152e+00 1.88 1.307434306e+00 -3.504594886e+00 -3.201365227e+00 -3.395463756e-01 -4.539192044e+00 -1.853003225e+00 1.90 1.156320630e+00 -3.467895618e+00 -3.265662976e+00 -6.263074901e-01 -4.391751709e+00 -1.973541295e+00 1.92 1.015503926e+00 -3.426305317e+00 -3.320740758e+00 -8.683641630e-01 -4.249504714e+00 -2.084899361e+00 1.94 8.843401035e-01 -3.380759726e+00 -3.367545087e+00 -1.069133663e+00 -4.112620024e+00 -2.187616278e+00 1.96 7.622226007e-01 -3.332068524e+00 -3.406876320e+00 -1.232757218e+00 -3.981225369e+00 -2.282187654e+00 1.98 6.485806461e-01 -3.280928063e+00 -3.439408023e+00 -1.363749070e+00 -3.855431468e+00 -2.369069692e+00 2.00 5.428776241e-01 -3.227933073e+00 -3.465704055e+00 -1.466731228e+00 -3.735340410e+00 -2.448687169e+00 2.02 4.446095233e-01 -3.173587428e+00 -3.486233635e+00 -1.546240177e+00 -3.621046780e+00 -2.521441571e+00 2.04 3.533039128e-01 -3.118313378e+00 -3.501388153e+00 -1.606591239e+00 -3.512637737e+00 -2.587709438e+00 2.06 2.685218271e-01 -3.062455957e+00 -3.511515029e+00 -1.651785725e+00 -3.410192012e+00 -2.647817630e+00 2.08 1.898535494e-01 -3.006295394e+00 -3.516938222e+00 -1.685445256e+00 -3.313777505e+00 -2.702066288e+00 2.10 1.169150015e-01 -2.950057965e+00 -3.517960964e+00 -1.710756686e+00 -3.223447091e+00 -2.750746705e+00 2.12 4.934630950e-02 -2.893922980e+00 -3.514867478e+00 -1.730409260e+00 -3.139232130e+00 -2.794141150e+00 2.14 -1.319002562e-02 -2.838029207e+00 -3.507924619e+00 -1.746505979e+00 -3.061133024e+00 -2.832522636e+00 2.16 -7.101185140e-02 -2.782480803e+00 -3.497383438e+00 -1.760437691e+00 -2.989106086e+00 -2.866154781e+00 2.18 -1.244218035e-01 -2.727352759e+00 -3.483480657e+00 -1.772735272e+00 -2.923046090e+00 -2.895291720e+00 2.20 -1.737147306e-01 -2.672695843e+00 -3.466440049e+00 -1.782981280e+00 -2.862764134e+00 -2.920178097e+00 2.22 -2.191897577e-01 -2.618541027e+00 -3.446473714e+00 -1.789898319e+00 -2.807961315e+00 -2.941049096e+00 2.24 -2.611688387e-01 -2.564903357e+00 -3.423783248e+00 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