# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Mn # implementation = 2025--Sharifi-H--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 Mn Mn Co Co 0.02 2.603592936e+04 8.535592855e+03 4.307816124e+05 0.04 1.584243369e+04 7.564245246e+03 1.801701080e+05 0.06 1.217236030e+04 6.880819933e+03 1.025931362e+05 0.08 1.013138484e+04 6.300277493e+03 6.660242451e+04 0.10 8.753292181e+03 5.783430366e+03 4.657294020e+04 0.12 7.717748071e+03 5.315325343e+03 3.417377209e+04 0.14 6.887963407e+03 4.888078684e+03 2.593965471e+04 0.16 6.195465088e+03 4.496575714e+03 2.019271284e+04 0.18 5.601885903e+03 4.137029258e+03 1.603076639e+04 0.20 5.083784021e+03 3.806395640e+03 1.292968224e+04 0.22 4.625801193e+03 3.502102980e+03 1.056621973e+04 0.24 4.217278323e+03 3.221910149e+03 8.731410747e+03 0.26 3.850452274e+03 2.963826348e+03 7.284927075e+03 0.28 3.519435712e+03 2.726061288e+03 6.129547928e+03 0.30 3.219610896e+03 2.506992025e+03 5.196158670e+03 0.32 2.947253128e+03 2.305139388e+03 4.434548282e+03 0.34 2.699287838e+03 2.119150261e+03 3.807559190e+03 0.36 2.473128595e+03 1.947783666e+03 3.287255585e+03 0.38 2.266565546e+03 1.789899388e+03 2.852342662e+03 0.40 2.077686446e+03 1.644448416e+03 2.486389463e+03 0.42 1.904819317e+03 1.510464725e+03 2.176580828e+03 0.44 1.746489734e+03 1.387058087e+03 1.912824018e+03 0.46 1.601388358e+03 1.273407693e+03 1.687100247e+03 0.48 1.468345718e+03 1.168756455e+03 1.492987289e+03 0.50 1.346312268e+03 1.072405857e+03 1.325303243e+03 0.52 1.234342344e+03 9.837112971e+02 1.179838313e+03 0.54 1.131581058e+03 9.020778322e+02 1.053150549e+03 0.56 1.037253433e+03 8.269563022e+02 9.424088246e+02 0.58 9.506552993e+02 7.578397724e+02 8.452713503e+02 0.60 8.711455634e+02 6.942602704e+02 7.597907505e+02 0.62 7.981395859e+02 6.357857862e+02 6.843394404e+02 0.64 7.311034577e+02 5.820175124e+02 6.175506291e+02 0.66 6.695490107e+02 5.325873003e+02 5.582712803e+02 0.68 6.130294419e+02 4.871553158e+02 5.055244638e+02 0.70 5.611354508e+02 4.454078771e+02 4.584790508e+02 0.72 5.134918107e+02 4.070554587e+02 4.164251474e+02 0.74 4.697543121e+02 3.718308494e+02 3.787541340e+02 0.76 4.296070267e+02 3.394874508e+02 3.449423452e+02 0.78 3.927598478e+02 3.097977056e+02 3.145376557e+02 0.80 3.589462746e+02 2.825516464e+02 2.871484355e+02 0.82 3.279214083e+02 2.575555534e+02 2.624343921e+02 0.84 2.994601374e+02 2.346307156e+02 2.400989552e+02 0.86 2.733554892e+02 2.136122848e+02 2.198829288e+02 0.88 2.494171309e+02 1.943482170e+02 2.015591625e+02 0.90 2.274700026e+02 1.766982938e+02 1.849280744e+02 0.92 2.073530716e+02 1.605332177e+02 1.698138758e+02 0.94 1.889181923e+02 1.457337769e+02 1.560613679e+02 0.96 1.720289313e+02 1.321900717e+02 1.435332248e+02 0.98 1.560591479e+02 1.198008012e+02 1.321076774e+02 1.00 1.399441696e+02 1.084726028e+02 1.216765299e+02 1.02 1.241264447e+02 9.811944214e+01 1.121434630e+02 1.04 1.089735462e+02 8.866204973e+01 1.034225496e+02 1.06 9.473104457e+01 8.002739960e+01 9.530980908e+01 1.08 8.154983338e+01 7.214822793e+01 8.715041994e+01 1.10 6.950848126e+01 6.496258818e+01 7.907839665e+01 1.12 5.863133532e+01 5.841343990e+01 7.127829029e+01 1.14 4.890306512e+01 5.244826893e+01 6.387210674e+01 1.16 4.028024851e+01 4.701873642e+01 5.693485110e+01 1.18 3.270048562e+01 4.208035456e+01 5.050670284e+01 1.20 2.608948924e+01 3.759218703e+01 4.460243868e+01 1.22 2.036651888e+01 3.351657230e+01 3.921868632e+01 1.24 1.544846720e+01 2.981886797e+01 3.433946678e+01 1.26 1.125286671e+01 2.646721466e+01 2.994040276e+01 1.28 7.700032679e+00 2.343231791e+01 2.599188080e+01 1.30 4.714525893e+00 2.068724674e+01 2.246139952e+01 1.32 2.226084658e+00 1.820724761e+01 1.931528857e+01 1.34 1.701486346e-01 1.596957251e+01 1.651994089e+01 1.36 -1.511924488e+00 1.395332034e+01 1.404267358e+01 1.38 -2.872871101e+00 1.213929027e+01 1.185230548e+01 1.40 -3.959696522e+00 1.050984639e+01 9.919522037e+00 1.42 -4.813962340e+00 9.048792643e+00 8.217081914e+00 1.44 -5.472147512e+00 7.741257399e+00 6.719906842e+00 1.46 -5.966050796e+00 6.573586751e+00 5.405088406e+00 1.48 -6.323212751e+00 5.533246029e+00 4.251835952e+00 1.50 -6.567339703e+00 4.608728822e+00 3.241384692e+00 1.52 -6.718716437e+00 3.789727663e+00 2.356879051e+00 1.54 -6.794600162e+00 3.200120604e+00 1.583240951e+00 1.56 -6.809589191e+00 3.254509853e+00 9.070315153e-01 1.58 -6.775963000e+00 3.605086230e+00 3.163119369e-01 1.60 -6.703992597e+00 3.986127266e+00 -1.994931640e-01 1.62 -6.602220179e+00 4.259269447e+00 -6.497264730e-01 1.64 -6.477709066e+00 4.366967852e+00 -1.042621397e+00 1.66 -6.336265250e+00 4.300422466e+00 -1.385417333e+00 1.68 -6.182632010e+00 4.077966843e+00 -1.684465835e+00 1.70 -6.020659873e+00 3.730900690e+00 -1.945327976e+00 1.72 -5.853453943e+00 3.294567286e+00 -2.172862963e+00 1.74 -5.683500750e+00 2.803046492e+00 -2.371308166e+00 1.76 -5.512776878e+00 2.286288481e+00 -2.544351324e+00 1.78 -5.342841363e+00 1.768846908e+00 -2.695195276e+00 1.80 -5.174914214e+00 1.269615027e+00 -2.826615835e+00 1.82 -5.009941774e+00 8.021566569e-01 -2.941013364e+00 1.84 -4.848651128e+00 3.753503142e-01 -3.040458520e+00 1.86 -4.691595573e+00 -5.834908056e-03 -3.126732922e+00 1.88 -4.539192044e+00 -3.395463756e-01 -3.201365227e+00 1.90 -4.391751709e+00 -6.263074901e-01 -3.265662976e+00 1.92 -4.249504714e+00 -8.683641630e-01 -3.320740758e+00 1.94 -4.112620024e+00 -1.069133663e+00 -3.367545087e+00 1.96 -3.981225369e+00 -1.232757218e+00 -3.406876320e+00 1.98 -3.855431468e+00 -1.363749070e+00 -3.439408023e+00 2.00 -3.735340410e+00 -1.466731228e+00 -3.465704055e+00 2.02 -3.621046780e+00 -1.546240177e+00 -3.486233635e+00 2.04 -3.512637737e+00 -1.606591239e+00 -3.501388153e+00 2.06 -3.410192012e+00 -1.651785725e+00 -3.511515029e+00 2.08 -3.313777505e+00 -1.685445256e+00 -3.516938222e+00 2.10 -3.223447091e+00 -1.710756686e+00 -3.517960964e+00 2.12 -3.139232130e+00 -1.730409260e+00 -3.514867478e+00 2.14 -3.061133024e+00 -1.746505979e+00 -3.507924619e+00 2.16 -2.989106086e+00 -1.760437691e+00 -3.497383438e+00 2.18 -2.923046090e+00 -1.772735272e+00 -3.483480657e+00 2.20 -2.862764134e+00 -1.782981280e+00 -3.466440049e+00 2.22 -2.807961315e+00 -1.789898319e+00 -3.446473714e+00 2.24 -2.758200177e+00 -1.791767090e+00 -3.423783248e+00 2.26 -2.712878103e+00 -1.787144901e+00 -3.398560795e+00 2.28 -2.671209523e+00 -1.775427201e+00 -3.370989970e+00 2.30 -2.632226184e+00 -1.756747336e+00 -3.341246660e+00 2.32 -2.594805656e+00 -1.731483812e+00 -3.309499698e+00 2.34 -2.557737013e+00 -1.700140994e+00 -3.275911408e+00 2.36 -2.519828340e+00 -1.663595450e+00 -3.240638025e+00 2.38 -2.480051196e+00 -1.623094242e+00 -3.203830010e+00 2.40 -2.437698047e+00 -1.579916570e+00 -3.165632244e+00 2.42 -2.392502771e+00 -1.535079336e+00 -3.126184148e+00 2.44 -2.344655287e+00 -1.489280858e+00 -3.085619711e+00 2.46 -2.294696976e+00 -1.442991002e+00 -3.044067470e+00 2.48 -2.243345771e+00 -1.396551512e+00 -3.001650435e+00 2.50 -2.191300931e+00 -1.350239070e+00 -2.958485995e+00 2.52 -2.139115743e+00 -1.304287846e+00 -2.914685615e+00 2.54 -2.087163057e+00 -1.258892044e+00 -2.870354222e+00 2.56 -2.035667258e+00 -1.214211382e+00 -2.825590835e+00 2.58 -1.984758578e+00 -1.170375722e+00 -2.780488716e+00 2.60 -1.934518085e+00 -1.127489089e+00 -2.735135327e+00 2.62 -1.885003621e+00 -1.085633198e+00 -2.689612355e+00 2.64 -1.836261089e+00 -1.044870560e+00 -2.643995766e+00 2.66 -1.788328457e+00 -1.005247208e+00 -2.598355920e+00 2.68 -1.741237184e+00 -9.667950822e-01 -2.552757730e+00 2.70 -1.695012979e+00 -9.295341292e-01 -2.507260861e+00 2.72 -1.649676390e+00 -8.934741289e-01 -2.461919961e+00 2.74 -1.605243332e+00 -8.586162945e-01 -2.416784927e+00 2.76 -1.561725570e+00 -8.249546659e-01 -2.371901178e+00 2.78 -1.519131157e+00 -7.924773222e-01 -2.327309949e+00 2.80 -1.477464826e+00 -7.611674346e-01 -2.283048583e+00 2.82 -1.436728361e+00 -7.310041787e-01 -2.239150822e+00 2.84 -1.396920920e+00 -7.019635227e-01 -2.195647085e+00 2.86 -1.358039338e+00 -6.740189075e-01 -2.152564730e+00 2.88 -1.320078396e+00 -6.471418301e-01 -2.109928310e+00 2.90 -1.283031070e+00 -6.213023441e-01 -2.067759796e+00 2.92 -1.246888754e+00 -5.964694860e-01 -2.026078791e+00 2.94 -1.211641466e+00 -5.726116380e-01 -1.984902713e+00 2.96 -1.177278026e+00 -5.496968337e-01 -1.944246978e+00 2.98 -1.143786231e+00 -5.276930161e-01 -1.904125141e+00 3.00 -1.111152998e+00 -5.065682512e-01 -1.864549048e+00 3.02 -1.079364506e+00 -4.862909070e-01 -1.825528954e+00 3.04 -1.048406316e+00 -4.668297977e-01 -1.787073640e+00 3.06 -1.018263481e+00 -4.481543025e-01 -1.749190518e+00 3.08 -9.889206505e-01 -4.302344589e-01 -1.711885726e+00 3.10 -9.603621526e-01 -4.130410362e-01 -1.675164219e+00 3.12 -9.325720780e-01 -3.965455909e-01 -1.639029848e+00 3.14 -9.055343486e-01 -3.807205073e-01 -1.603485442e+00 3.16 -8.792327804e-01 -3.655390248e-01 -1.568532873e+00 3.18 -8.536511380e-01 -3.509752550e-01 -1.534173132e+00 3.20 -8.287731834e-01 -3.370041887e-01 -1.500406384e+00 3.22 -8.045827174e-01 -3.236016959e-01 -1.467232035e+00 3.24 -7.810636168e-01 -3.107445189e-01 -1.434648781e+00 3.26 -7.581998664e-01 -2.984102604e-01 -1.402654669e+00 3.28 -7.359755868e-01 -2.865773666e-01 -1.371247138e+00 3.30 -7.143750588e-01 -2.752251080e-01 -1.340423075e+00 3.32 -6.933827444e-01 -2.643335555e-01 -1.310178851e+00 3.34 -6.729833057e-01 -2.538835563e-01 -1.280510368e+00 3.36 -6.531616208e-01 -2.438567066e-01 -1.251413098e+00 3.38 -6.339027978e-01 -2.342353238e-01 -1.222882117e+00 3.40 -6.151921874e-01 -2.250024179e-01 -1.194912145e+00 3.42 -5.970153933e-01 -2.161416621e-01 -1.167497573e+00 3.44 -5.793582811e-01 -2.076373636e-01 -1.140632500e+00 3.46 -5.622069859e-01 -1.994744346e-01 -1.114310759e+00 3.48 -5.455479188e-01 -1.916383636e-01 -1.088525943e+00 3.50 -5.293677711e-01 -1.841151880e-01 -1.063271436e+00 3.52 -5.136535187e-01 -1.768914670e-01 -1.038540433e+00 3.54 -4.983924242e-01 -1.699542568e-01 -1.014325962e+00 3.56 -4.835720387e-01 -1.632910871e-01 -9.906209099e-01 3.58 -4.691802022e-01 -1.568899399e-01 -9.674180378e-01 3.60 -4.552050436e-01 -1.507392308e-01 -9.447100017e-01 3.62 -4.416349794e-01 -1.448277932e-01 -9.224893696e-01 3.64 -4.284587124e-01 -1.391448659e-01 -9.007486372e-01 3.66 -4.156652297e-01 -1.336800841e-01 -8.794802436e-01 3.68 -4.032437999e-01 -1.284234752e-01 -8.586765849e-01 3.70 -3.911839702e-01 -1.233654576e-01 -8.383300276e-01 3.72 -3.794755633e-01 -1.184968447e-01 -8.184329207e-01 3.74 -3.681086741e-01 -1.138088527e-01 -7.989776070e-01 3.76 -3.570736655e-01 -1.092931117e-01 -7.799564337e-01 3.78 -3.463611648e-01 -1.049416805e-01 -7.613617621e-01 3.80 -3.359620600e-01 -1.007470625e-01 -7.431859766e-01 3.82 -3.258674949e-01 -9.670222271e-02 -7.254214934e-01 3.84 -3.160688657e-01 -9.280060276e-02 -7.080607677e-01 3.86 -3.065578157e-01 -8.903613332e-02 -6.910963011e-01 3.88 -2.973262315e-01 -8.540324086e-02 -6.745206481e-01 3.90 -2.883662382e-01 -8.189684719e-02 -6.583264223e-01 3.92 -2.796701944e-01 -7.851236003e-02 -6.425063011e-01 3.94 -2.712306875e-01 -7.524565348e-02 -6.270530314e-01 3.96 -2.630405287e-01 -7.209303771e-02 -6.119594338e-01 3.98 -2.550927475e-01 -6.905121847e-02 -5.972184064e-01 4.00 -2.473805867e-01 -6.611724742e-02 -5.828229287e-01 4.02 -2.398974960e-01 -6.328846532e-02 -5.687660642e-01 4.04 -2.326371263e-01 -6.056244089e-02 -5.550409636e-01 4.06 -2.255933237e-01 -5.793690826e-02 -5.416408669e-01 4.08 -2.187601221e-01 -5.540970635e-02 -5.285591053e-01 4.10 -2.121317366e-01 -5.297872316e-02 -5.157891024e-01 4.12 -2.057025557e-01 -5.064184760e-02 -5.033243762e-01 4.14 -1.994671340e-01 -4.839693064e-02 -4.911585389e-01 4.16 -1.934201832e-01 -4.624175703e-02 -4.792852982e-01 4.18 -1.875565639e-01 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