# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Co-Mn # implementation = 2025--Sharifi-H--Ni-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 Co Mn Co Ni Mn Ni Ni Ni 0.02 4.307816124e+05 8.535592855e+03 2.603592936e+04 4.464903951e+05 2.828011390e+04 4.627988409e+05 0.04 1.801701080e+05 7.564245246e+03 1.584243369e+04 1.866816852e+05 1.761357025e+04 1.934542832e+05 0.06 1.025931362e+05 6.880819933e+03 1.217236030e+04 1.062855355e+05 1.371867175e+04 1.101353242e+05 0.08 6.660242451e+04 6.300277493e+03 1.013138484e+04 6.899759075e+04 1.151952757e+04 7.150221648e+04 0.10 4.657294020e+04 5.783430366e+03 8.753292181e+03 4.825083160e+04 1.001379470e+04 5.001136161e+04 0.12 3.417377209e+04 5.315325343e+03 7.717748071e+03 3.540990821e+04 8.868913032e+03 3.671185755e+04 0.14 2.593965471e+04 4.888078684e+03 6.887963407e+03 2.688364111e+04 7.942663070e+03 2.788203775e+04 0.16 2.019271284e+04 4.496575714e+03 6.195465088e+03 2.093348031e+04 7.163679419e+03 2.172048195e+04 0.18 1.603076639e+04 4.137029258e+03 5.601885903e+03 1.662474692e+04 6.491831518e+03 1.725883939e+04 0.20 1.292968224e+04 3.806395640e+03 5.083784021e+03 1.341448688e+04 5.902484192e+03 1.393465691e+04 0.22 1.056621973e+04 3.502102980e+03 4.625801193e+03 1.096788573e+04 5.379404000e+03 1.140112974e+04 0.24 8.731410747e+03 3.221910149e+03 4.217278323e+03 9.068515282e+03 4.911249927e+03 9.434101450e+03 0.26 7.284927075e+03 2.963826348e+03 3.850452274e+03 7.571054211e+03 4.489703181e+03 7.883078369e+03 0.28 6.129547928e+03 2.726061288e+03 3.519435712e+03 6.374835591e+03 4.108408648e+03 6.643823836e+03 0.30 5.196158670e+03 2.506992025e+03 3.219610896e+03 5.408305479e+03 3.762345385e+03 5.642257180e+03 0.32 4.434548282e+03 2.305139388e+03 2.947253128e+03 4.619489200e+03 3.447435173e+03 4.824576857e+03 0.34 3.807559190e+03 2.119150261e+03 2.699287838e+03 3.969930742e+03 3.160289600e+03 4.150981824e+03 0.36 3.287255585e+03 1.947783666e+03 2.473128595e+03 3.430723358e+03 2.898041068e+03 3.591559458e+03 0.38 2.852342662e+03 1.789899388e+03 2.266565546e+03 2.979836167e+03 2.658226124e+03 3.123516198e+03 0.40 2.486389463e+03 1.644448416e+03 2.077686446e+03 2.600273337e+03 2.438702620e+03 2.729270784e+03 0.42 2.176580828e+03 1.510464725e+03 1.904819317e+03 2.278781448e+03 2.237589357e+03 2.395115433e+03 0.44 1.912824018e+03 1.387058087e+03 1.746489734e+03 2.004924298e+03 2.053220949e+03 2.110257711e+03 0.46 1.687100247e+03 1.273407693e+03 1.601388358e+03 1.770411442e+03 1.884113356e+03 1.866125251e+03 0.48 1.492987289e+03 1.168756455e+03 1.468345718e+03 1.568603939e+03 1.728937007e+03 1.655854062e+03 0.50 1.325303243e+03 1.072405857e+03 1.346312268e+03 1.394145604e+03 1.586495419e+03 1.473906825e+03 0.52 1.179838313e+03 9.837112971e+02 1.234342344e+03 1.242685424e+03 1.455707924e+03 1.315785606e+03 0.54 1.053150549e+03 9.020778322e+02 1.131581058e+03 1.110666193e+03 1.335595484e+03 1.177813160e+03 0.56 9.424088246e+02 8.269563022e+02 1.037253433e+03 9.951620747e+02 1.225268867e+03 1.056964878e+03 0.58 8.452713503e+02 7.578397724e+02 9.506552993e+02 8.937529417e+02 1.123918698e+03 9.507388162e+02 0.60 7.597907505e+02 6.942602704e+02 8.711455634e+02 8.044270596e+02 1.030806962e+03 8.570541847e+02 0.62 6.843394404e+02 6.357857862e+02 7.981395859e+02 7.248871477e+02 9.452596950e+02 7.741715794e+02 0.64 6.175506291e+02 5.820175124e+02 7.311034577e+02 6.528564978e+02 8.666606430e+02 7.006299394e+02 0.66 5.582712803e+02 5.325873003e+02 6.695490107e+02 5.877720766e+02 7.944457049e+02 6.351963020e+02 0.68 5.055244638e+02 4.871553158e+02 6.130294419e+02 5.290772155e+02 7.280980447e+02 5.768256025e+02 0.70 4.584790508e+02 4.454078771e+02 5.611354508e+02 4.762075722e+02 6.671437602e+02 5.246283262e+02 0.72 4.164251474e+02 4.070554587e+02 5.134918107e+02 4.286160930e+02 6.111480253e+02 4.778442944e+02 0.74 3.787541340e+02 3.718308494e+02 4.697543121e+02 3.857872331e+02 5.597116413e+02 4.358213702e+02 0.76 3.449423452e+02 3.394874508e+02 4.296070267e+02 3.472441510e+02 5.124679401e+02 3.979980540e+02 0.78 3.145376557e+02 3.097977056e+02 3.927598478e+02 3.125513818e+02 4.690799942e+02 3.638891798e+02 0.80 2.871484355e+02 2.825516464e+02 3.589462746e+02 2.813147154e+02 4.292380968e+02 3.330741409e+02 0.82 2.624343921e+02 2.575555534e+02 3.279214083e+02 2.531794044e+02 3.926574781e+02 3.051871291e+02 0.84 2.400989552e+02 2.346307156e+02 2.994601374e+02 2.278274597e+02 3.590762332e+02 2.799090185e+02 0.86 2.198829288e+02 2.136122848e+02 2.733554892e+02 2.049745335e+02 3.282534361e+02 2.569606004e+02 0.88 2.015591625e+02 1.943482170e+02 2.494171309e+02 1.843666853e+02 2.999674221e+02 2.360969052e+02 0.90 1.849280744e+02 1.766982938e+02 2.274700026e+02 1.657772291e+02 2.740142196e+02 2.171024320e+02 0.92 1.698138758e+02 1.605332177e+02 2.073530716e+02 1.490037725e+02 2.502061179e+02 1.997871246e+02 0.94 1.560613679e+02 1.457337769e+02 1.889181923e+02 1.338654924e+02 2.283703559e+02 1.839829582e+02 0.96 1.435332248e+02 1.321900717e+02 1.720289313e+02 1.202006787e+02 2.083479224e+02 1.695410437e+02 0.98 1.321076774e+02 1.198008012e+02 1.560591479e+02 1.078645429e+02 1.899812086e+02 1.563291582e+02 1.00 1.216765299e+02 1.084726028e+02 1.399441696e+02 9.672727434e+01 1.712914151e+02 1.442296309e+02 1.02 1.121434630e+02 9.811944214e+01 1.241264447e+02 8.667233378e+01 1.516319498e+02 1.331250128e+02 1.04 1.034225496e+02 8.866204973e+01 1.089735462e+02 7.759495385e+01 1.320564841e+02 1.227064231e+02 1.06 9.530980908e+01 8.002739960e+01 9.473104457e+01 6.940082651e+01 1.132668180e+02 1.128558849e+02 1.08 8.715041994e+01 7.214822793e+01 8.154983338e+01 6.200495709e+01 9.570847390e+01 1.035530988e+02 1.10 7.907839665e+01 6.496258818e+01 6.950848126e+01 5.533065970e+01 7.963901118e+01 9.478192872e+01 1.12 7.127829029e+01 5.841343990e+01 5.863133532e+01 4.930867804e+01 6.518023708e+01 8.652852875e+01 1.14 6.387210674e+01 5.244826893e+01 4.890306512e+01 4.387641495e+01 5.235792585e+01 7.878000427e+01 1.16 5.693485110e+01 4.701873642e+01 4.028024851e+01 3.897725315e+01 4.113186687e+01 7.152347279e+01 1.18 5.050670284e+01 4.208035456e+01 3.270048562e+01 3.455995731e+01 3.141837868e+01 6.474544683e+01 1.20 4.460243868e+01 3.759218703e+01 2.608948924e+01 3.057814501e+01 2.310702868e+01 5.843146989e+01 1.22 3.921868632e+01 3.351657230e+01 2.036651888e+01 2.698981631e+01 1.607288496e+01 5.256594699e+01 1.24 3.433946678e+01 2.981886797e+01 1.544846720e+01 2.375693575e+01 1.018533630e+01 4.713211923e+01 1.26 2.994040276e+01 2.646721466e+01 1.125286671e+01 2.084505833e+01 5.314303526e+00 4.211214161e+01 1.28 2.599188080e+01 2.343231791e+01 7.700032679e+00 1.822299399e+01 1.334468520e+00 3.748723073e+01 1.30 2.246139952e+01 2.068724674e+01 4.714525893e+00 1.586250651e+01 -1.871982133e+00 3.323785540e+01 1.32 1.931528857e+01 1.820724761e+01 2.226084658e+00 1.373804131e+01 -4.413719089e+00 2.934394994e+01 1.34 1.651994089e+01 1.596957251e+01 1.701486346e-01 1.182647953e+01 -6.389442483e+00 2.578513409e+01 1.36 1.404267358e+01 1.395332034e+01 -1.511924488e+00 1.010691554e+01 -7.887635164e+00 2.254092813e+01 1.38 1.185230548e+01 1.213929027e+01 -2.872871101e+00 8.560454247e+00 -8.986727168e+00 1.959095496e+01 1.40 9.919522037e+00 1.050984639e+01 -3.959696522e+00 7.170027281e+00 -9.755535691e+00 1.691512357e+01 1.42 8.217081914e+00 9.048792643e+00 -4.813962340e+00 5.920225463e+00 -1.025388245e+01 1.449379077e+01 1.44 6.719906842e+00 7.741257399e+00 -5.472147512e+00 4.797145861e+00 -1.053331596e+01 1.230789933e+01 1.46 5.405088406e+00 6.573586751e+00 -5.966050796e+00 3.788252604e+00 -1.063788100e+01 1.033909233e+01 1.48 4.251835952e+00 5.533246029e+00 -6.323212751e+00 2.882249682e+00 -1.060489899e+01 8.569804248e+00 1.50 3.241384692e+00 4.608728822e+00 -6.567339703e+00 2.068964758e+00 -1.046573064e+01 6.983329915e+00 1.52 2.356879051e+00 3.789727663e+00 -6.718716437e+00 1.339243375e+00 -1.024650148e+01 5.563873368e+00 1.54 1.583240951e+00 3.200120604e+00 -6.794600162e+00 6.848521694e-01 -9.968780001e+00 4.296578166e+00 1.56 9.070315153e-01 3.254509853e+00 -6.809589191e+00 9.839066907e-02 -9.650200581e+00 3.167541537e+00 1.58 3.163119369e-01 3.605086230e+00 -6.775963000e+00 -4.267890123e-01 -9.305027859e+00 2.163814621e+00 1.60 -1.994931640e-01 3.986127266e+00 -6.703992597e+00 -8.966555297e-01 -8.944663353e+00 1.273390540e+00 1.62 -6.497264730e-01 4.259269447e+00 -6.602220179e+00 -1.316564948e+00 -8.578094561e+00 4.851827098e-01 1.64 -1.042621397e+00 4.366967852e+00 -6.477709066e+00 -1.691321369e+00 -8.212290004e+00 -2.110048446e-01 1.66 -1.385417333e+00 4.300422466e+00 -6.336265250e+00 -2.025232118e+00 -7.852543871e+00 -8.245136511e-01 1.68 -1.684465835e+00 4.077966843e+00 -6.182632010e+00 -2.322157739e+00 -7.502773895e+00 -1.363871482e+00 1.70 -1.945327976e+00 3.730900690e+00 -6.020659873e+00 -2.585557399e+00 -7.165777220e+00 -1.836836508e+00 1.72 -2.172862963e+00 3.294567286e+00 -5.853453943e+00 -2.818530051e+00 -6.843448336e+00 -2.250443662e+00 1.74 -2.371308166e+00 2.803046492e+00 -5.683500750e+00 -3.023851785e+00 -6.536963292e+00 -2.611051967e+00 1.76 -2.544351324e+00 2.286288481e+00 -5.512776878e+00 -3.204019477e+00 -6.246933789e+00 -2.924392267e+00 1.78 -2.695195276e+00 1.768846908e+00 -5.342841363e+00 -3.361306189e+00 -5.973530500e+00 -3.195614473e+00 1.80 -2.826615835e+00 1.269615027e+00 -5.174914214e+00 -3.497789222e+00 -5.716593788e+00 -3.429333743e+00 1.82 -2.941013364e+00 8.021566569e-01 -5.009941774e+00 -3.615366661e+00 -5.475724993e+00 -3.629675025e+00 1.84 -3.040458520e+00 3.753503142e-01 -4.848651128e+00 -3.715772365e+00 -5.250355920e+00 -3.800315739e+00 1.86 -3.126732922e+00 -5.834908056e-03 -4.691595573e+00 -3.800589825e+00 -5.039804348e+00 -3.944526367e+00 1.88 -3.201365227e+00 -3.395463756e-01 -4.539192044e+00 -3.871264897e+00 -4.843317756e+00 -4.065208808e+00 1.90 -3.265662976e+00 -6.263074901e-01 -4.391751709e+00 -3.929117455e+00 -4.660107259e+00 -4.164932226e+00 1.92 -3.320740758e+00 -8.683641630e-01 -4.249504714e+00 -3.975352112e+00 -4.489373345e+00 -4.245966471e+00 1.94 -3.367545087e+00 -1.069133663e+00 -4.112620024e+00 -4.011068058e+00 -4.330324786e+00 -4.310313064e+00 1.96 -3.406876320e+00 -1.232757218e+00 -3.981225369e+00 -4.037268082e+00 -4.182192019e+00 -4.359733686e+00 1.98 -3.439408023e+00 -1.363749070e+00 -3.855431468e+00 -4.054866869e+00 -4.044237066e+00 -4.395776385e+00 2.00 -3.465704055e+00 -1.466731228e+00 -3.735340410e+00 -4.064698618e+00 -3.915768341e+00 -4.419799502e+00 2.02 -3.486233635e+00 -1.546240177e+00 -3.621046780e+00 -4.067524016e+00 -3.796146667e+00 -4.432996272e+00 2.04 -3.501388153e+00 -1.606591239e+00 -3.512637737e+00 -4.064036659e+00 -3.684778918e+00 -4.436437131e+00 2.06 -3.511515029e+00 -1.651785725e+00 -3.410192012e+00 -4.054868922e+00 -3.581110683e+00 -4.431100446e+00 2.08 -3.516938222e+00 -1.685445256e+00 -3.313777505e+00 -4.040597337e+00 -3.484618651e+00 -4.417881444e+00 2.10 -3.517960964e+00 -1.710756686e+00 -3.223447091e+00 -4.021747524e+00 -3.394802576e+00 -4.397599060e+00 2.12 -3.514867478e+00 -1.730409260e+00 -3.139232130e+00 -3.998798677e+00 -3.311176768e+00 -4.371002213e+00 2.14 -3.507924619e+00 -1.746505979e+00 -3.061133024e+00 -3.972187677e+00 -3.233261062e+00 -4.338775575e+00 2.16 -3.497383438e+00 -1.760437691e+00 -2.989106086e+00 -3.942312822e+00 -3.160571354e+00 -4.301544884e+00 2.18 -3.483480657e+00 -1.772735272e+00 -2.923046090e+00 -3.909537230e+00 -3.092610052e+00 -4.259881798e+00 2.20 -3.466440049e+00 -1.782981280e+00 -2.862764134e+00 -3.874191920e+00 -3.028857010e+00 -4.214308381e+00 2.22 -3.446473714e+00 -1.789898319e+00 -2.807961315e+00 -3.836578615e+00 -2.968762018e+00 -4.165301200e+00 2.24 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