# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Co-Mn # implementation = 2025--Sharifi-H--Fe-Co-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 Co Co Mn Mn Fe Fe Co Fe Co Mn Fe Mn 0.02 4.307816124e+05 8.535592855e+03 4.000875199e+05 4.151468523e+05 2.603592936e+04 2.054232045e+04 0.04 1.801701080e+05 7.564245246e+03 1.675325584e+05 1.737325163e+05 1.584243369e+04 1.107703555e+04 0.06 1.025931362e+05 6.880819933e+03 9.548852264e+04 9.897336918e+04 1.217236030e+04 7.867357399e+03 0.08 6.660242451e+04 6.300277493e+03 6.204120064e+04 6.427784945e+04 1.013138484e+04 6.202016350e+03 0.10 4.657294020e+04 5.783430366e+03 4.341559740e+04 4.496325285e+04 8.753292181e+03 5.152298376e+03 0.12 3.417377209e+04 5.315325343e+03 3.187892766e+04 3.300329443e+04 7.717748071e+03 4.411363421e+03 0.14 2.593965471e+04 4.888078684e+03 2.421338265e+04 2.505872675e+04 6.887963407e+03 3.849024877e+03 0.16 2.019271284e+04 4.496575714e+03 1.886035540e+04 1.951240785e+04 6.195465088e+03 3.400785563e+03 0.18 1.603076639e+04 4.137029258e+03 1.498155631e+04 1.549468987e+04 5.601885903e+03 3.031043667e+03 0.20 1.292968224e+04 3.806395640e+03 1.208985465e+04 1.250028004e+04 5.083784021e+03 2.718477454e+03 0.22 1.056621973e+04 3.502102980e+03 9.884764039e+03 1.021752284e+04 4.625801193e+03 2.449461032e+03 0.24 8.731410747e+03 3.221910149e+03 8.171982361e+03 8.444916866e+03 4.217278323e+03 2.214810059e+03 0.26 7.284927075e+03 2.963826348e+03 6.820996645e+03 7.047130720e+03 3.850452274e+03 2.008050360e+03 0.28 6.129547928e+03 2.726061288e+03 5.741359459e+03 5.930391613e+03 3.519435712e+03 1.824440625e+03 0.30 5.196158670e+03 2.506992025e+03 4.868749574e+03 5.028024825e+03 3.219610896e+03 1.660393593e+03 0.32 4.434548282e+03 2.305139388e+03 4.156420575e+03 4.291582744e+03 2.947253128e+03 1.513118199e+03 0.34 3.807559190e+03 2.119150261e+03 3.569764456e+03 3.685205369e+03 2.699287838e+03 1.380390171e+03 0.36 3.287255585e+03 1.947783666e+03 3.082750729e+03 3.181926516e+03 2.473128595e+03 1.260400294e+03 0.38 2.852342662e+03 1.789899388e+03 2.675527836e+03 2.761185811e+03 2.266565546e+03 1.151650969e+03 0.40 2.486389463e+03 1.644448416e+03 2.332771206e+03 2.407115282e+03 2.077686446e+03 1.052883896e+03 0.42 2.176580828e+03 1.510464725e+03 2.042522934e+03 2.107335971e+03 1.904819317e+03 9.630283277e+02 0.44 1.912824018e+03 1.387058087e+03 1.795360987e+03 1.852096416e+03 1.746489734e+03 8.811631712e+02 0.46 1.687100247e+03 1.273407693e+03 1.583796014e+03 1.633647230e+03 1.601388358e+03 8.064887199e+02 0.48 1.492987289e+03 1.168756455e+03 1.401827125e+03 1.445780590e+03 1.468345718e+03 7.383051658e+02 0.50 1.325303243e+03 1.072405857e+03 1.244610302e+03 1.283486546e+03 1.346312268e+03 6.759959715e+02 0.52 1.179838313e+03 9.837112971e+02 1.108208636e+03 1.142694190e+03 1.234342344e+03 6.190148222e+02 0.54 1.053150549e+03 9.020778322e+02 9.894020459e+02 1.020074511e+03 1.131581058e+03 5.668752261e+02 0.56 9.424088246e+02 8.269563022e+02 8.855409446e+02 9.128888098e+02 1.037253433e+03 5.191421133e+02 0.58 8.452713503e+02 7.578397724e+02 7.944329653e+02 8.188713902e+02 9.506552993e+02 4.754249742e+02 0.60 7.597907505e+02 6.942602704e+02 7.142544237e+02 7.361378834e+02 8.711455634e+02 4.353721835e+02 0.62 6.843394404e+02 6.357857862e+02 6.434806809e+02 6.631131607e+02 7.981395859e+02 3.986662591e+02 0.64 6.175506291e+02 5.820175124e+02 5.808310654e+02 5.984743298e+02 7.311034577e+02 3.650198668e+02 0.66 5.582712803e+02 5.325873003e+02 5.252249402e+02 5.411052752e+02 6.695490107e+02 3.341724194e+02 0.68 5.055244638e+02 4.871553158e+02 4.757465247e+02 4.900602655e+02 6.130294419e+02 3.058871621e+02 0.70 4.584790508e+02 4.454078771e+02 4.316165687e+02 4.445346547e+02 5.611354508e+02 2.799486568e+02 0.72 4.164251474e+02 4.070554587e+02 3.921693794e+02 4.038411265e+02 5.134918107e+02 2.561605937e+02 0.74 3.787541340e+02 3.718308494e+02 3.568341505e+02 3.673903885e+02 4.697543121e+02 2.343438795e+02 0.76 3.449423452e+02 3.394874508e+02 3.251196896e+02 3.346753852e+02 4.296070267e+02 2.143349572e+02 0.78 3.145376557e+02 3.097977056e+02 2.966018623e+02 3.052583204e+02 3.927598478e+02 1.959843207e+02 0.80 2.871484355e+02 2.825516464e+02 2.709132492e+02 2.787599683e+02 3.589462746e+02 1.791551988e+02 0.82 2.624343921e+02 2.575555534e+02 2.477345700e+02 2.548508125e+02 3.279214083e+02 1.637223826e+02 0.84 2.400989552e+02 2.346307156e+02 2.267875477e+02 2.332436741e+02 2.994601374e+02 1.495711772e+02 0.86 2.198829288e+02 2.136122848e+02 2.078289608e+02 2.136875668e+02 2.733554892e+02 1.365964630e+02 0.88 2.015591625e+02 1.943482170e+02 1.906456484e+02 1.959625387e+02 2.494171309e+02 1.247018510e+02 0.90 1.849280744e+02 1.766982938e+02 1.750503133e+02 1.798753372e+02 2.274700026e+02 1.137989214e+02 0.92 1.698138758e+02 1.605332177e+02 1.608779817e+02 1.652557535e+02 2.073530716e+02 1.038065361e+02 0.94 1.560613679e+02 1.457337769e+02 1.479829998e+02 1.519535204e+02 1.889181923e+02 9.464993123e+01 0.96 1.435332248e+02 1.321900717e+02 1.362364852e+02 1.398356817e+02 1.720289313e+02 8.593217832e+01 0.98 1.321076774e+02 1.198008012e+02 1.255246901e+02 1.287254415e+02 1.560591479e+02 7.680316312e+01 1.00 1.216765299e+02 1.084726028e+02 1.154488517e+02 1.178254325e+02 1.399441696e+02 6.764087254e+01 1.02 1.121434630e+02 9.811944214e+01 1.053619247e+02 1.071619771e+02 1.241264447e+02 5.877453341e+01 1.04 1.034225496e+02 8.866204973e+01 9.551484895e+01 9.695839783e+01 1.089735462e+02 5.042123972e+01 1.06 9.530980908e+01 8.002739960e+01 8.610845183e+01 8.735448841e+01 9.473104457e+01 4.271345828e+01 1.08 8.715041994e+01 7.214822793e+01 7.726883824e+01 7.842845616e+01 8.154983338e+01 3.572077782e+01 1.10 7.907839665e+01 6.496258818e+01 6.906694180e+01 7.021410167e+01 6.950848126e+01 2.946700921e+01 1.12 7.127829029e+01 5.841343990e+01 6.153357747e+01 6.271387203e+01 5.863133532e+01 2.394350091e+01 1.14 6.387210674e+01 5.244826893e+01 5.467097347e+01 5.590871555e+01 4.890306512e+01 1.911941625e+01 1.16 5.693485110e+01 4.701873642e+01 4.846155540e+01 4.976546302e+01 4.028024851e+01 1.494958359e+01 1.18 5.050670284e+01 4.208035456e+01 4.287457436e+01 4.424229031e+01 3.270048562e+01 1.138040249e+01 1.20 4.460243868e+01 3.759218703e+01 3.787106516e+01 3.929271196e+01 2.608948924e+01 8.354218539e+00 1.22 3.921868632e+01 3.351657230e+01 3.340750793e+01 3.486844880e+01 2.036651888e+01 5.812493078e+00 1.24 3.433946678e+01 2.981886797e+01 2.943848831e+01 3.092143962e+01 1.544846720e+01 3.698033057e+00 1.26 2.994040276e+01 2.646721466e+01 2.591859236e+01 2.740520810e+01 1.125286671e+01 1.956497318e+00 1.28 2.599188080e+01 2.343231791e+01 2.280371524e+01 2.427574652e+01 7.700032679e+00 5.373494847e-01 1.30 2.246139952e+01 2.068724674e+01 2.005192865e+01 2.149204410e+01 4.714525893e+00 -6.056035857e-01 1.32 1.931528857e+01 1.820724761e+01 1.762401721e+01 1.901635514e+01 2.226084658e+00 -1.513980849e+00 1.34 1.651994089e+01 1.596957251e+01 1.548377063e+01 1.681428205e+01 1.701486346e-01 -2.224817519e+00 1.36 1.404267358e+01 1.395332034e+01 1.359809925e+01 1.485473008e+01 -1.511924488e+00 -2.770708273e+00 1.38 1.185230548e+01 1.213929027e+01 1.193702262e+01 1.310977461e+01 -2.872871101e+00 -3.180055152e+00 1.40 9.919522037e+00 1.050984639e+01 1.047357218e+01 1.155447423e+01 -3.959696522e+00 -3.477378994e+00 1.42 8.217081914e+00 9.048792643e+00 9.183636983e+00 1.016665237e+01 -4.813962340e+00 -3.683665485e+00 1.44 6.719906842e+00 7.741257399e+00 8.045772174e+00 8.926663649e+00 -5.472147512e+00 -3.816724674e+00 1.46 5.405088406e+00 6.573586751e+00 7.040990280e+00 7.817158327e+00 -5.966050796e+00 -3.891547156e+00 1.48 4.251835952e+00 5.533246029e+00 6.152545446e+00 6.822851889e+00 -6.323212751e+00 -3.920647147e+00 1.50 3.241384692e+00 4.608728822e+00 5.365719107e+00 5.930305607e+00 -6.567339703e+00 -3.914384964e+00 1.52 2.356879051e+00 3.789727663e+00 4.667613481e+00 5.127721880e+00 -6.718716437e+00 -3.881263939e+00 1.54 1.583240951e+00 3.200120604e+00 4.046955723e+00 4.404755380e+00 -6.794600162e+00 -3.828200142e+00 1.56 9.070315153e-01 3.254509853e+00 3.493915675e+00 3.752341266e+00 -6.809589191e+00 -3.760765297e+00 1.58 3.163119369e-01 3.605086230e+00 2.999938413e+00 3.162540444e+00 -6.775963000e+00 -3.683401465e+00 1.60 -1.994931640e-01 3.986127266e+00 2.557591451e+00 2.628400845e+00 -6.703992597e+00 -3.599609280e+00 1.62 -6.497264730e-01 4.259269447e+00 2.160426420e+00 2.143834334e+00 -6.602220179e+00 -3.512111326e+00 1.64 -1.042621397e+00 4.366967852e+00 1.802855806e+00 1.703507865e+00 -6.477709066e+00 -3.422992825e+00 1.66 -1.385417333e+00 4.300422466e+00 1.480043775e+00 1.302747571e+00 -6.336265250e+00 -3.333821765e+00 1.68 -1.684465835e+00 4.077966843e+00 1.187808857e+00 9.374548488e-01 -6.182632010e+00 -3.245750507e+00 1.70 -1.945327976e+00 3.730900690e+00 9.225379902e-01 6.040329317e-01 -6.020659873e+00 -3.159601130e+00 1.72 -2.172862963e+00 3.294567286e+00 6.811110059e-01 2.993228716e-01 -5.853453943e+00 -3.075936455e+00 1.74 -2.371308166e+00 2.803046492e+00 4.608346532e-01 2.054793809e-02 -5.683500750e+00 -2.995118666e+00 1.76 -2.544351324e+00 2.286288481e+00 2.593849439e-01 -2.347347751e-01 -5.512776878e+00 -2.917357715e+00 1.78 -2.695195276e+00 1.768846908e+00 7.475703760e-02 -4.686763008e-01 -5.342841363e+00 -2.842750136e+00 1.80 -2.826615835e+00 1.269615027e+00 -9.477821362e-02 -6.831721352e-01 -5.174914214e+00 -2.771309544e+00 1.82 -2.941013364e+00 8.021566569e-01 -2.507119663e-01 -8.798938199e-01 -5.009941774e+00 -2.702991310e+00 1.84 -3.040458520e+00 3.753503142e-01 -3.943299262e-01 -1.060316291e+00 -4.848651128e+00 -2.637711922e+00 1.86 -3.126732922e+00 -5.834908056e-03 -5.267400961e-01 -1.225741630e+00 -4.691595573e+00 -2.575363917e+00 1.88 -3.201365227e+00 -3.395463756e-01 -6.488966099e-01 -1.377319733e+00 -4.539192044e+00 -2.515827159e+00 1.90 -3.265662976e+00 -6.263074901e-01 -7.616215339e-01 -1.516066280e+00 -4.391751709e+00 -2.458977205e+00 1.92 -3.320740758e+00 -8.683641630e-01 -8.656229785e-01 -1.642878430e+00 -4.249504714e+00 -2.404693668e+00 1.94 -3.367545087e+00 -1.069133663e+00 -9.615105543e-01 -1.758548564e+00 -4.112620024e+00 -2.352874013e+00 1.96 -3.406876320e+00 -1.232757218e+00 -1.049808673e+00 -1.863776630e+00 -3.981225369e+00 -2.303437989e+00 1.98 -3.439408023e+00 -1.363749070e+00 -1.130969246e+00 -1.959191919e+00 -3.855431468e+00 -2.256325866e+00 2.00 -3.465704055e+00 -1.466731228e+00 -1.205397424e+00 -2.045384358e+00 -3.735340410e+00 -2.211496462e+00 2.02 -3.486233635e+00 -1.546240177e+00 -1.273475346e+00 -2.122912689e+00 -3.621046780e+00 -2.168925046e+00 2.04 -3.501388153e+00 -1.606591239e+00 -1.335565656e+00 -2.192306111e+00 -3.512637737e+00 -2.128600991e+00 2.06 -3.511515029e+00 -1.651785725e+00 -1.392012550e+00 -2.254065812e+00 -3.410192012e+00 -2.090525043e+00 2.08 -3.516938222e+00 -1.685445256e+00 -1.443142753e+00 -2.308666410e+00 -3.313777505e+00 -2.054705975e+00 2.10 -3.517960964e+00 -1.710756686e+00 -1.489266455e+00 -2.356557337e+00 -3.223447091e+00 -2.021156342e+00 2.12 -3.514867478e+00 -1.730409260e+00 -1.530678171e+00 -2.398164134e+00 -3.139232130e+00 -1.989886956e+00 2.14 -3.507924619e+00 -1.746505979e+00 -1.567657728e+00 -2.433889683e+00 -3.061133024e+00 -1.960899601e+00 2.16 -3.497383438e+00 -1.760437691e+00 -1.600471608e+00 -2.464115380e+00 -2.989106086e+00 -1.934177454e+00 2.18 -3.483480657e+00 -1.772735272e+00 -1.629372933e+00 -2.489202230e+00 -2.923046090e+00 -1.909672744e+00 2.20 -3.466440049e+00 -1.782981280e+00 -1.654601883e+00 -2.509491893e+00 -2.862764134e+00 -1.887291412e+00 2.22 -3.446473714e+00 -1.789898319e+00 -1.676386345e+00 -2.525307665e+00 -2.807961315e+00 -1.866875262e+00 2.24 -3.423783248e+00 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