# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Mn # implementation = 2025--Sharifi-H--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 Mn Mn 0.02 8.535592855e+03 0.04 7.564245246e+03 0.06 6.880819933e+03 0.08 6.300277493e+03 0.10 5.783430366e+03 0.12 5.315325343e+03 0.14 4.888078684e+03 0.16 4.496575714e+03 0.18 4.137029258e+03 0.20 3.806395640e+03 0.22 3.502102980e+03 0.24 3.221910149e+03 0.26 2.963826348e+03 0.28 2.726061288e+03 0.30 2.506992025e+03 0.32 2.305139388e+03 0.34 2.119150261e+03 0.36 1.947783666e+03 0.38 1.789899388e+03 0.40 1.644448416e+03 0.42 1.510464725e+03 0.44 1.387058087e+03 0.46 1.273407693e+03 0.48 1.168756455e+03 0.50 1.072405857e+03 0.52 9.837112971e+02 0.54 9.020778322e+02 0.56 8.269563022e+02 0.58 7.578397724e+02 0.60 6.942602704e+02 0.62 6.357857862e+02 0.64 5.820175124e+02 0.66 5.325873003e+02 0.68 4.871553158e+02 0.70 4.454078771e+02 0.72 4.070554587e+02 0.74 3.718308494e+02 0.76 3.394874508e+02 0.78 3.097977056e+02 0.80 2.825516464e+02 0.82 2.575555534e+02 0.84 2.346307156e+02 0.86 2.136122848e+02 0.88 1.943482170e+02 0.90 1.766982938e+02 0.92 1.605332177e+02 0.94 1.457337769e+02 0.96 1.321900717e+02 0.98 1.198008012e+02 1.00 1.084726028e+02 1.02 9.811944214e+01 1.04 8.866204973e+01 1.06 8.002739960e+01 1.08 7.214822793e+01 1.10 6.496258818e+01 1.12 5.841343990e+01 1.14 5.244826893e+01 1.16 4.701873642e+01 1.18 4.208035456e+01 1.20 3.759218703e+01 1.22 3.351657230e+01 1.24 2.981886797e+01 1.26 2.646721466e+01 1.28 2.343231791e+01 1.30 2.068724674e+01 1.32 1.820724761e+01 1.34 1.596957251e+01 1.36 1.395332034e+01 1.38 1.213929027e+01 1.40 1.050984639e+01 1.42 9.048792643e+00 1.44 7.741257399e+00 1.46 6.573586751e+00 1.48 5.533246029e+00 1.50 4.608728822e+00 1.52 3.789727663e+00 1.54 3.200120604e+00 1.56 3.254509853e+00 1.58 3.605086230e+00 1.60 3.986127266e+00 1.62 4.259269447e+00 1.64 4.366967852e+00 1.66 4.300422466e+00 1.68 4.077966843e+00 1.70 3.730900690e+00 1.72 3.294567286e+00 1.74 2.803046492e+00 1.76 2.286288481e+00 1.78 1.768846908e+00 1.80 1.269615027e+00 1.82 8.021566569e-01 1.84 3.753503142e-01 1.86 -5.834908056e-03 1.88 -3.395463756e-01 1.90 -6.263074901e-01 1.92 -8.683641630e-01 1.94 -1.069133663e+00 1.96 -1.232757218e+00 1.98 -1.363749070e+00 2.00 -1.466731228e+00 2.02 -1.546240177e+00 2.04 -1.606591239e+00 2.06 -1.651785725e+00 2.08 -1.685445256e+00 2.10 -1.710756686e+00 2.12 -1.730409260e+00 2.14 -1.746505979e+00 2.16 -1.760437691e+00 2.18 -1.772735272e+00 2.20 -1.782981280e+00 2.22 -1.789898319e+00 2.24 -1.791767090e+00 2.26 -1.787144901e+00 2.28 -1.775427201e+00 2.30 -1.756747336e+00 2.32 -1.731483812e+00 2.34 -1.700140994e+00 2.36 -1.663595450e+00 2.38 -1.623094242e+00 2.40 -1.579916570e+00 2.42 -1.535079336e+00 2.44 -1.489280858e+00 2.46 -1.442991002e+00 2.48 -1.396551512e+00 2.50 -1.350239070e+00 2.52 -1.304287846e+00 2.54 -1.258892044e+00 2.56 -1.214211382e+00 2.58 -1.170375722e+00 2.60 -1.127489089e+00 2.62 -1.085633198e+00 2.64 -1.044870560e+00 2.66 -1.005247208e+00 2.68 -9.667950822e-01 2.70 -9.295341292e-01 2.72 -8.934741289e-01 2.74 -8.586162945e-01 2.76 -8.249546659e-01 2.78 -7.924773222e-01 2.80 -7.611674346e-01 2.82 -7.310041787e-01 2.84 -7.019635227e-01 2.86 -6.740189075e-01 2.88 -6.471418301e-01 2.90 -6.213023441e-01 2.92 -5.964694860e-01 2.94 -5.726116380e-01 2.96 -5.496968337e-01 2.98 -5.276930161e-01 3.00 -5.065682512e-01 3.02 -4.862909070e-01 3.04 -4.668297977e-01 3.06 -4.481543025e-01 3.08 -4.302344589e-01 3.10 -4.130410362e-01 3.12 -3.965455909e-01 3.14 -3.807205073e-01 3.16 -3.655390248e-01 3.18 -3.509752550e-01 3.20 -3.370041887e-01 3.22 -3.236016959e-01 3.24 -3.107445189e-01 3.26 -2.984102604e-01 3.28 -2.865773666e-01 3.30 -2.752251080e-01 3.32 -2.643335555e-01 3.34 -2.538835563e-01 3.36 -2.438567066e-01 3.38 -2.342353238e-01 3.40 -2.250024179e-01 3.42 -2.161416621e-01 3.44 -2.076373636e-01 3.46 -1.994744346e-01 3.48 -1.916383636e-01 3.50 -1.841151880e-01 3.52 -1.768914670e-01 3.54 -1.699542568e-01 3.56 -1.632910871e-01 3.58 -1.568899399e-01 3.60 -1.507392308e-01 3.62 -1.448277932e-01 3.64 -1.391448659e-01 3.66 -1.336800841e-01 3.68 -1.284234752e-01 3.70 -1.233654576e-01 3.72 -1.184968447e-01 3.74 -1.138088527e-01 3.76 -1.092931117e-01 3.78 -1.049416805e-01 3.80 -1.007470625e-01 3.82 -9.670222271e-02 3.84 -9.280060276e-02 3.86 -8.903613332e-02 3.88 -8.540324086e-02 3.90 -8.189684719e-02 3.92 -7.851236003e-02 3.94 -7.524565348e-02 3.96 -7.209303771e-02 3.98 -6.905121847e-02 4.00 -6.611724742e-02 4.02 -6.328846532e-02 4.04 -6.056244089e-02 4.06 -5.793690826e-02 4.08 -5.540970635e-02 4.10 -5.297872316e-02 4.12 -5.064184760e-02 4.14 -4.839693064e-02 4.16 -4.624175703e-02 4.18 -4.417402780e-02 4.20 -4.219135317e-02 4.22 -4.029125448e-02 4.24 -3.847117401e-02 4.26 -3.672849032e-02 4.28 -3.506053759e-02 4.30 -3.346462675e-02 4.32 -3.193806687e-02 4.34 -3.047818548e-02 4.36 -2.908234660e-02 4.38 -2.774796605e-02 4.40 -2.647252358e-02 4.42 -2.525357189e-02 4.44 -2.408874281e-02 4.46 -2.297575088e-02 4.48 -2.191239499e-02 4.50 -2.089655833e-02 4.52 -1.992620734e-02 4.54 -1.899938977e-02 4.56 -1.811423233e-02 4.58 -1.726893810e-02 4.60 -1.646178376e-02 4.62 -1.569111690e-02 4.64 -1.495535325e-02 4.66 -1.425297408e-02 4.68 -1.358252367e-02 4.70 -1.294260676e-02 4.72 -1.233188627e-02 4.74 -1.174908095e-02 4.76 -1.119296318e-02 4.78 -1.066235686e-02 4.80 -1.015613537e-02 4.82 -9.673219573e-03 4.84 -9.212575951e-03 4.86 -8.773214769e-03 4.88 -8.354188316e-03 4.90 -7.954589224e-03 4.92 -7.549673355e-03 4.94 -6.850696902e-03 4.96 -5.219551871e-03 4.98 -2.309258779e-03 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00