# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Mn # implementation = 2025--Sharifi-H--Cu-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 Mn Co Cu Cu Cu Mn Mn Cu Mn Co Co 0.02 2.603592936e+04 4.620154743e+05 4.954943043e+05 8.535592855e+03 2.592190389e+04 4.307816124e+05 0.04 1.584243369e+04 1.930217932e+05 2.067715918e+05 7.564245246e+03 1.513679317e+04 1.801701080e+05 0.06 1.217236030e+04 1.098168620e+05 1.175313404e+05 6.880819933e+03 1.134461672e+04 1.025931362e+05 0.08 1.013138484e+04 7.124088097e+04 7.618510859e+04 6.300277493e+03 9.289947519e+03 6.660242451e+04 0.10 8.753292181e+03 4.978520131e+04 5.320232879e+04 5.783430366e+03 7.936190180e+03 4.657294020e+04 0.12 7.717748071e+03 3.651023909e+04 3.899033190e+04 5.315325343e+03 6.940292374e+03 3.417377209e+04 0.14 6.887963407e+03 2.769902295e+04 2.956217573e+04 4.888078684e+03 6.156207448e+03 2.593965471e+04 0.16 6.195465088e+03 2.155240500e+04 2.298867779e+04 4.496575714e+03 5.511160714e+03 2.019271284e+04 0.18 5.601885903e+03 1.710325916e+04 1.823308975e+04 4.137029258e+03 4.964630297e+03 1.603076639e+04 0.20 5.083784021e+03 1.378984766e+04 1.469336997e+04 3.806395640e+03 4.492057145e+03 1.292968224e+04 0.22 4.625801193e+03 1.126581090e+04 1.199838587e+04 3.502102980e+03 4.077507259e+03 1.056621973e+04 0.24 4.217278323e+03 9.307283914e+03 9.908314076e+03 3.221910149e+03 3.710044579e+03 8.731410747e+03 0.26 3.850452274e+03 7.763972083e+03 8.262186709e+03 2.963826348e+03 3.381800326e+03 7.284927075e+03 0.28 3.519435712e+03 6.531779645e+03 6.948548224e+03 2.726061288e+03 3.086882099e+03 6.129547928e+03 0.30 3.219610896e+03 5.536728806e+03 5.888216958e+03 2.506992025e+03 2.820726655e+03 5.196158670e+03 0.32 2.947253128e+03 4.725095227e+03 5.023710898e+03 2.305139388e+03 2.579698729e+03 4.434548282e+03 0.34 2.699287838e+03 4.057137252e+03 4.312525978e+03 2.119150261e+03 2.360832891e+03 3.807559190e+03 0.36 2.473128595e+03 3.502988972e+03 3.722734097e+03 1.947783666e+03 2.161661986e+03 3.287255585e+03 0.38 2.266565546e+03 3.039894338e+03 3.230018814e+03 1.789899388e+03 1.980099439e+03 2.852342662e+03 0.40 2.077686446e+03 2.650302784e+03 2.815634660e+03 1.644448416e+03 1.814356355e+03 2.486389463e+03 0.42 1.904819317e+03 2.320532092e+03 2.464974559e+03 1.510464725e+03 1.662881659e+03 2.176580828e+03 0.44 1.746489734e+03 2.039811451e+03 2.166544845e+03 1.387058087e+03 1.524317790e+03 1.912824018e+03 0.46 1.601388358e+03 1.799587068e+03 1.911221691e+03 1.273407693e+03 1.397467264e+03 1.687100247e+03 0.48 1.468345718e+03 1.593011101e+03 1.691704041e+03 1.168756455e+03 1.281266913e+03 1.492987289e+03 0.50 1.346312268e+03 1.414560454e+03 1.502105674e+03 1.072405857e+03 1.174767671e+03 1.325303243e+03 0.52 1.234342344e+03 1.259749846e+03 1.337648283e+03 9.837112971e+02 1.077118459e+03 1.179838313e+03 0.54 1.131581058e+03 1.124913396e+03 1.194427931e+03 9.020778322e+02 9.875531412e+02 1.053150549e+03 0.56 1.037253433e+03 1.007036785e+03 1.069235663e+03 8.269563022e+02 9.053798042e+02 9.424088246e+02 0.58 9.506552993e+02 9.036274549e+02 9.594188230e+02 7.578397724e+02 8.299718565e+02 8.452713503e+02 0.60 8.711455634e+02 8.126132326e+02 8.627727970e+02 6.942602704e+02 7.607605371e+02 7.597907505e+02 0.62 7.981395859e+02 7.322626647e+02 7.774559690e+02 6.357857862e+02 6.972285510e+02 6.843394404e+02 0.64 7.311034577e+02 6.611220636e+02 7.019225457e+02 5.820175124e+02 6.389046165e+02 6.175506291e+02 0.66 6.695490107e+02 5.979653309e+02 6.348690383e+02 5.325873003e+02 5.853587469e+02 5.582712803e+02 0.68 6.130294419e+02 5.417538149e+02 5.751914621e+02 4.871553158e+02 5.361981431e+02 5.055244638e+02 0.70 5.611354508e+02 4.916040107e+02 5.219509113e+02 4.454078771e+02 4.910635938e+02 4.584790508e+02 0.72 5.134918107e+02 4.467613853e+02 4.743456724e+02 4.070554587e+02 4.496262993e+02 4.164251474e+02 0.74 4.697543121e+02 4.065791180e+02 4.316885815e+02 3.718308494e+02 4.115850582e+02 3.787541340e+02 0.76 4.296070267e+02 3.705007235e+02 3.933885230e+02 3.394874508e+02 3.766637618e+02 3.449423452e+02 0.78 3.927598478e+02 3.380457740e+02 3.589352330e+02 3.097977056e+02 3.446091541e+02 3.145376557e+02 0.80 3.589462746e+02 3.087981457e+02 3.278867924e+02 2.825516464e+02 3.151888226e+02 2.871484355e+02 0.82 3.279214083e+02 2.823962770e+02 2.998592632e+02 2.575555534e+02 2.881893895e+02 2.624343921e+02 0.84 2.994601374e+02 2.585250690e+02 2.745180749e+02 2.346307156e+02 2.634148792e+02 2.400989552e+02 0.86 2.733554892e+02 2.369091347e+02 2.515708458e+02 2.136122848e+02 2.406852418e+02 2.198829288e+02 0.88 2.494171309e+02 2.173071348e+02 2.307613616e+02 1.943482170e+02 2.198350140e+02 2.015591625e+02 0.90 2.274700026e+02 1.995070181e+02 2.118645162e+02 1.766982938e+02 2.007121022e+02 1.849280744e+02 0.92 2.073530716e+02 1.833221193e+02 1.946820473e+02 1.605332177e+02 1.831766755e+02 1.698138758e+02 0.94 1.889181923e+02 1.685237620e+02 1.790389199e+02 1.457337769e+02 1.671001571e+02 1.560613679e+02 0.96 1.720289313e+02 1.547991251e+02 1.647802584e+02 1.321900717e+02 1.523675943e+02 1.435332248e+02 0.98 1.560591479e+02 1.420238860e+02 1.517687326e+02 1.198008012e+02 1.375424162e+02 1.321076774e+02 1.00 1.399441696e+02 1.301114864e+02 1.398823195e+02 1.084726028e+02 1.220263594e+02 1.216765299e+02 1.02 1.241264447e+02 1.189960194e+02 1.290123884e+02 9.811944214e+01 1.067460864e+02 1.121434630e+02 1.04 1.089735462e+02 1.086260252e+02 1.190620447e+02 8.866204973e+01 9.226852215e+01 1.034225496e+02 1.06 9.473104457e+01 9.895983151e+01 1.098778159e+02 8.002739960e+01 7.891100364e+01 9.530980908e+01 1.08 8.154983338e+01 8.996212925e+01 1.006654129e+02 7.214822793e+01 6.682267817e+01 8.715041994e+01 1.10 6.950848126e+01 8.160151819e+01 9.146379971e+01 6.496258818e+01 5.604222740e+01 7.907839665e+01 1.12 5.863133532e+01 7.384880881e+01 8.251005063e+01 5.841343990e+01 4.653833700e+01 7.127829029e+01 1.14 4.890306512e+01 6.667589963e+01 7.396440465e+01 5.244826893e+01 3.823773996e+01 6.387210674e+01 1.16 4.028024851e+01 6.005508564e+01 6.592898332e+01 4.701873642e+01 3.104435567e+01 5.693485110e+01 1.18 3.270048562e+01 5.395868241e+01 5.846237608e+01 4.208035456e+01 2.485207544e+01 5.050670284e+01 1.20 2.608948924e+01 4.835887429e+01 5.159102094e+01 3.759218703e+01 1.955308057e+01 4.460243868e+01 1.22 2.036651888e+01 4.322771583e+01 4.531804184e+01 3.351657230e+01 1.504303837e+01 3.921868632e+01 1.24 1.544846720e+01 3.853723198e+01 3.963006341e+01 2.981886797e+01 1.122415085e+01 3.433946678e+01 1.26 1.125286671e+01 3.425957630e+01 3.450243739e+01 2.646721466e+01 8.006751163e+00 2.994040276e+01 1.28 7.700032679e+00 3.036721692e+01 2.990321313e+01 2.343231791e+01 5.309937158e+00 2.599188080e+01 1.30 4.714525893e+00 2.683312807e+01 2.579612199e+01 2.068724674e+01 3.061589156e+00 2.246139952e+01 1.32 2.226084658e+00 2.363097180e+01 2.214279285e+01 1.820724761e+01 1.198006360e+00 1.931528857e+01 1.34 1.701486346e-01 2.073526720e+01 1.890436756e+01 1.596957251e+01 -3.366663183e-01 1.651994089e+01 1.36 -1.511924488e+00 1.812153375e+01 1.604265299e+01 1.395332034e+01 -1.591119435e+00 1.404267358e+01 1.38 -2.872871101e+00 1.576640672e+01 1.352091593e+01 1.213929027e+01 -2.607598273e+00 1.185230548e+01 1.40 -3.959696522e+00 1.364772540e+01 1.130440623e+01 1.050984639e+01 -3.422611892e+00 9.919522037e+00 1.42 -4.813962340e+00 1.174459502e+01 9.360675047e+00 9.048792643e+00 -4.067606433e+00 8.217081914e+00 1.44 -5.472147512e+00 1.003742372e+01 7.659739491e+00 7.741257399e+00 -4.569588581e+00 6.719906842e+00 1.46 -5.966050796e+00 8.507937641e+00 6.174135775e+00 6.573586751e+00 -4.951691125e+00 5.405088406e+00 1.48 -6.323212751e+00 7.139176388e+00 4.878891588e+00 5.533246029e+00 -5.233680509e+00 4.251835952e+00 1.50 -6.567339703e+00 5.915471876e+00 3.751442094e+00 4.608728822e+00 -5.432407611e+00 3.241384692e+00 1.52 -6.718716437e+00 4.822413735e+00 2.771509060e+00 3.789727663e+00 -5.562204840e+00 2.356879051e+00 1.54 -6.794600162e+00 3.846803451e+00 1.920956091e+00 3.200120604e+00 -5.635234783e+00 1.583240951e+00 1.56 -6.809589191e+00 2.976600104e+00 1.183631264e+00 3.254509853e+00 -5.661794555e+00 9.070315153e-01 1.58 -6.775963000e+00 2.200860085e+00 5.452050601e-01 3.605086230e+00 -5.650580702e+00 3.163119369e-01 1.60 -6.703992597e+00 1.509672323e+00 -6.991532406e-03 3.986127266e+00 -5.608919463e+00 -1.994931640e-01 1.62 -6.602220179e+00 8.940912585e-01 -4.841239578e-01 4.259269447e+00 -5.542966178e+00 -6.497264730e-01 1.64 -6.477709066e+00 3.460688472e-01 -8.960037601e-01 4.366967852e+00 -5.457877835e+00 -1.042621397e+00 1.66 -6.336265250e+00 -1.416133666e-01 -1.251229513e+00 4.300422466e+00 -5.357962167e+00 -1.385417333e+00 1.68 -6.182632010e+00 -5.754107148e-01 -1.557317467e+00 4.077966843e+00 -5.246806124e+00 -1.684465835e+00 1.70 -6.020659873e+00 -9.610799445e-01 -1.820821962e+00 3.730900690e+00 -5.127386545e+00 -1.945327976e+00 1.72 -5.853453943e+00 -1.303741157e+00 -2.047445458e+00 3.294567286e+00 -5.002165246e+00 -2.172862963e+00 1.74 -5.683500750e+00 -1.607936520e+00 -2.242138160e+00 2.803046492e+00 -4.873170570e+00 -2.371308166e+00 1.76 -5.512776878e+00 -1.877685740e+00 -2.409188076e+00 2.286288481e+00 -4.742065658e+00 -2.544351324e+00 1.78 -5.342841363e+00 -2.116537921e+00 -2.552301787e+00 1.768846908e+00 -4.610192459e+00 -2.695195276e+00 1.80 -5.174914214e+00 -2.327619722e+00 -2.674676553e+00 1.269615027e+00 -4.478635897e+00 -2.826615835e+00 1.82 -5.009941774e+00 -2.513679612e+00 -2.779064578e+00 8.021566569e-01 -4.348279783e+00 -2.941013364e+00 1.84 -4.848651128e+00 -2.677121382e+00 -2.867828641e+00 3.753503142e-01 -4.219832987e+00 -3.040458520e+00 1.86 -4.691595573e+00 -2.820044338e+00 -2.942992938e+00 -5.834908056e-03 -4.093860878e+00 -3.126732922e+00 1.88 -4.539192044e+00 -2.944299451e+00 -3.006289148e+00 -3.395463756e-01 -3.970818786e+00 -3.201365227e+00 1.90 -4.391751709e+00 -3.051560829e+00 -3.059195460e+00 -6.263074901e-01 -3.851071816e+00 -3.265662976e+00 1.92 -4.249504714e+00 -3.143358148e+00 -3.102970808e+00 -8.683641630e-01 -3.734910827e+00 -3.320740758e+00 1.94 -4.112620024e+00 -3.221089533e+00 -3.138684849e+00 -1.069133663e+00 -3.622566311e+00 -3.367545087e+00 1.96 -3.981225369e+00 -3.286032981e+00 -3.167244128e+00 -1.232757218e+00 -3.514228652e+00 -3.406876320e+00 1.98 -3.855431468e+00 -3.339356821e+00 -3.189414935e+00 -1.363749070e+00 -3.410062695e+00 -3.439408023e+00 2.00 -3.735340410e+00 -3.382129224e+00 -3.205843216e+00 -1.466731228e+00 -3.310208285e+00 -3.465704055e+00 2.02 -3.621046780e+00 -3.415326875e+00 -3.217071860e+00 -1.546240177e+00 -3.214779080e+00 -3.486233635e+00 2.04 -3.512637737e+00 -3.439842889e+00 -3.223555765e+00 -1.606591239e+00 -3.123860753e+00 -3.501388153e+00 2.06 -3.410192012e+00 -3.456494023e+00 -3.225674884e+00 -1.651785725e+00 -3.037508422e+00 -3.511515029e+00 2.08 -3.313777505e+00 -3.466027236e+00 -3.223747986e+00 -1.685445256e+00 -2.955743090e+00 -3.516938222e+00 2.10 -3.223447091e+00 -3.469125693e+00 -3.218060140e+00 -1.710756686e+00 -2.878546897e+00 -3.517960964e+00 2.12 -3.139232130e+00 -3.466414216e+00 -3.208880312e+00 -1.730409260e+00 -2.805857091e+00 -3.514867478e+00 2.14 -3.061133024e+00 -3.458464255e+00 -3.196463067e+00 -1.746505979e+00 -2.737558643e+00 -3.507924619e+00 2.16 -2.989106086e+00 -3.445798434e+00 -3.181049242e+00 -1.760437691e+00 -2.673475611e+00 -3.497383438e+00 2.18 -2.923046090e+00 -3.428894665e+00 -3.162866597e+00 -1.772735272e+00 -2.613361634e+00 -3.483480657e+00 2.20 -2.862764134e+00 -3.408189921e+00 -3.142130428e+00 -1.782981280e+00 -2.556890395e+00 -3.466440049e+00 2.22 -2.807961315e+00 -3.384083661e+00 -3.119044162e+00 -1.789898319e+00 -2.503647771e+00 -3.446473714e+00 2.24 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