# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2006--Sun-D-Y-Mendelev-M-I-Becker-C-A-et-al--Mg # implementation = 2006--Sun-D-Y--Mg--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 2022-05-24 r Mg Mg 0.02 5.000000000e+13 0.04 2.500000000e+13 0.06 1.666666667e+13 0.08 1.250000000e+13 0.10 1.000000000e+13 0.12 8.333333333e+12 0.14 7.142857143e+12 0.16 6.250000000e+12 0.18 5.555555556e+12 0.20 5.000000000e+12 0.22 4.545454545e+12 0.24 4.166666667e+12 0.26 3.846153846e+12 0.28 3.571428571e+12 0.30 3.333333333e+12 0.32 3.125000000e+12 0.34 2.941176471e+12 0.36 2.777777778e+12 0.38 2.631578947e+12 0.40 2.500000000e+12 0.42 2.380952381e+12 0.44 2.272727273e+12 0.46 2.173913043e+12 0.48 2.083333333e+12 0.50 6.049382719e+11 0.52 3.631827379e+02 0.54 3.260179365e+02 0.56 2.932501185e+02 0.58 2.642730641e+02 0.60 2.385766351e+02 0.62 2.157295778e+02 0.64 1.953657599e+02 0.66 1.771730718e+02 0.68 1.608844357e+02 0.70 1.462704763e+02 0.72 1.331335148e+02 0.74 1.213026264e+02 0.76 1.106295523e+02 0.78 1.009853057e+02 0.80 9.225734148e+01 0.82 8.434718738e+01 0.84 7.716845551e+01 0.86 7.064516250e+01 0.88 6.471031472e+01 0.90 5.930470149e+01 0.92 5.437587546e+01 0.94 4.987727357e+01 0.96 4.576747342e+01 0.98 4.200954961e+01 1.00 3.857052025e+01 1.02 3.542087315e+01 1.04 3.253415153e+01 1.06 2.988659658e+01 1.08 2.745683854e+01 1.10 2.522562487e+01 1.12 2.317558457e+01 1.14 2.129102111e+01 1.16 1.955773259e+01 1.18 1.796285050e+01 1.20 1.649470144e+01 1.22 1.514268252e+01 1.24 1.389715258e+01 1.26 1.274933429e+01 1.28 1.169123027e+01 1.30 1.071554503e+01 1.32 9.815617758e+00 1.34 8.985361503e+00 1.36 8.219209580e+00 1.38 7.512065915e+00 1.40 6.859262733e+00 1.42 6.256521356e+00 1.44 5.699916648e+00 1.46 5.185845984e+00 1.48 4.711000382e+00 1.50 4.272339237e+00 1.52 3.867066608e+00 1.54 3.492610794e+00 1.56 3.146604811e+00 1.58 2.826868965e+00 1.60 2.531395802e+00 1.62 2.261098808e+00 1.64 2.016263817e+00 1.66 1.794287198e+00 1.68 1.592838777e+00 1.70 1.409831201e+00 1.72 1.243393048e+00 1.74 1.091845147e+00 1.76 9.536797299e-01 1.78 8.275420237e-01 1.80 7.122139913e-01 1.82 6.065999477e-01 1.84 5.097138299e-01 1.86 4.206678977e-01 1.88 3.386627082e-01 1.90 2.629782232e-01 1.92 1.929658654e-01 1.94 1.280414856e-01 1.96 6.767906428e-02 1.98 1.140509134e-02 2.00 -4.120642664e-02 2.02 -9.053845292e-02 2.04 -1.369349380e-01 2.06 -1.807044097e-01 2.08 -2.221231969e-01 2.10 -2.614383249e-01 2.12 -2.988701235e-01 2.14 -3.346145729e-01 2.16 -3.688454229e-01 2.18 -4.017161133e-01 2.20 -4.333615227e-01 2.22 -4.638995393e-01 2.24 -4.934324587e-01 2.26 -5.220483433e-01 2.28 -5.498223074e-01 2.30 -5.768174478e-01 2.32 -6.030859567e-01 2.34 -6.286702607e-01 2.36 -6.536034613e-01 2.38 -6.779107479e-01 2.40 -7.016096007e-01 2.42 -7.247110704e-01 2.44 -7.472199534e-01 2.46 -7.691360796e-01 2.48 -7.904541323e-01 2.50 -8.111653806e-01 2.52 -8.312568959e-01 2.54 -8.507134825e-01 2.56 -8.695173749e-01 2.58 -8.876486657e-01 2.60 -9.050869495e-01 2.62 -9.213652800e-01 2.64 -9.361408340e-01 2.66 -9.495566339e-01 2.68 -9.617290107e-01 2.70 -9.727512941e-01 2.72 -9.826983025e-01 2.74 -9.916289736e-01 2.76 -9.995877799e-01 2.78 -1.006608856e+00 2.80 -1.012718582e+00 2.82 -1.017937412e+00 2.84 -1.022279973e+00 2.86 -1.025757896e+00 2.88 -1.028381733e+00 2.90 -1.030162017e+00 2.92 -1.031109988e+00 2.94 -1.031236693e+00 2.96 -1.030555845e+00 2.98 -1.029084126e+00 3.00 -1.026841476e+00 3.02 -1.023851373e+00 3.04 -1.020139300e+00 3.06 -1.015732798e+00 3.08 -1.010663644e+00 3.10 -1.004966692e+00 3.12 -9.986796288e-01 3.14 -9.918426627e-01 3.16 -9.844978675e-01 3.18 -9.766860550e-01 3.20 -9.684507580e-01 3.22 -9.598371387e-01 3.24 -9.508907907e-01 3.26 -9.416571981e-01 3.28 -9.321811961e-01 3.30 -9.225064485e-01 3.32 -9.126740316e-01 3.34 -9.027178922e-01 3.36 -8.926724984e-01 3.38 -8.825694792e-01 3.40 -8.724364767e-01 3.42 -8.622968876e-01 3.44 -8.521696893e-01 3.46 -8.420693729e-01 3.48 -8.320059894e-01 3.50 -8.219853336e-01 3.52 -8.120036856e-01 3.54 -8.020501507e-01 3.56 -7.921207259e-01 3.58 -7.822095708e-01 3.60 -7.723098426e-01 3.62 -7.624149155e-01 3.64 -7.525198073e-01 3.66 -7.426228475e-01 3.68 -7.327275856e-01 3.70 -7.228449608e-01 3.72 -7.129950680e-01 3.74 -7.032021251e-01 3.76 -6.934713609e-01 3.78 -6.837198224e-01 3.80 -6.739737079e-01 3.82 -6.642768044e-01 3.84 -6.546675155e-01 3.86 -6.451792652e-01 3.88 -6.358409083e-01 3.90 -6.266771133e-01 3.92 -6.177087241e-01 3.94 -6.089530980e-01 3.96 -6.004244210e-01 3.98 -5.921340048e-01 4.00 -5.840905618e-01 4.02 -5.763004634e-01 4.04 -5.687679789e-01 4.06 -5.614955032e-01 4.08 -5.544837606e-01 4.10 -5.477507479e-01 4.12 -5.413908608e-01 4.14 -5.353539808e-01 4.16 -5.295704158e-01 4.18 -5.239770702e-01 4.20 -5.185169294e-01 4.22 -5.131385821e-01 4.24 -5.077957869e-01 4.26 -5.024470752e-01 4.28 -4.970553900e-01 4.30 -4.915877537e-01 4.32 -4.860149705e-01 4.34 -4.803113509e-01 4.36 -4.744544638e-01 4.38 -4.684249103e-01 4.40 -4.622061176e-01 4.42 -4.557841574e-01 4.44 -4.491475724e-01 4.46 -4.422872286e-01 4.48 -4.351961728e-01 4.50 -4.278695133e-01 4.52 -4.203043046e-01 4.54 -4.124994444e-01 4.56 -4.044555882e-01 4.58 -3.961750583e-01 4.60 -3.876617770e-01 4.62 -3.789164549e-01 4.64 -3.699096847e-01 4.66 -3.606689546e-01 4.68 -3.512340791e-01 4.70 -3.416426393e-01 4.72 -3.319301464e-01 4.74 -3.221300224e-01 4.76 -3.122735400e-01 4.78 -3.023899055e-01 4.80 -2.925063430e-01 4.82 -2.826481863e-01 4.84 -2.728389585e-01 4.86 -2.631004540e-01 4.88 -2.534528121e-01 4.90 -2.439145941e-01 4.92 -2.345028513e-01 4.94 -2.252331898e-01 4.96 -2.161198411e-01 4.98 -2.071757149e-01 5.00 -1.984124590e-01 5.02 -1.898405176e-01 5.04 -1.814691758e-01 5.06 -1.733066181e-01 5.08 -1.653599590e-01 5.10 -1.576353030e-01 5.12 -1.501377749e-01 5.14 -1.428715615e-01 5.16 -1.358399438e-01 5.18 -1.290453426e-01 5.20 -1.224893363e-01 5.22 -1.161726980e-01 5.24 -1.100954276e-01 5.26 -1.042567720e-01 5.28 -9.865525725e-02 5.30 -9.328871183e-02 5.32 -8.815429562e-02 5.34 -8.324861179e-02 5.36 -7.856780453e-02 5.38 -7.410759972e-02 5.40 -6.986331124e-02 5.42 -6.582987928e-02 5.44 -6.200187863e-02 5.46 -5.837354406e-02 5.48 -5.493880013e-02 5.50 -5.169127568e-02 5.52 -4.862433536e-02 5.54 -4.573110414e-02 5.56 -4.300449712e-02 5.58 -4.043724570e-02 5.60 -3.802193679e-02 5.62 -3.575104221e-02 5.64 -3.361696292e-02 5.66 -3.161205888e-02 5.68 -2.972870571e-02 5.70 -2.795932852e-02 5.72 -2.629646171e-02 5.74 -2.473279638e-02 5.76 -2.326123956e-02 5.78 -2.187497387e-02 5.80 -2.056752669e-02 5.82 -1.933283176e-02 5.84 -1.816530693e-02 5.86 -1.705993432e-02 5.88 -1.601233528e-02 5.90 -1.501886499e-02 5.92 -1.407669814e-02 5.94 -1.318393070e-02 5.96 -1.233967755e-02 5.98 -1.154418300e-02 6.00 -1.079893105e-02 6.02 -1.010660321e-02 6.04 -9.469472470e-03 6.06 -8.887950909e-03 6.08 -8.360801945e-03 6.10 -7.885478579e-03 6.12 -7.458434238e-03 6.14 -7.075386729e-03 6.16 -6.731557942e-03 6.18 -6.421888218e-03 6.20 -6.141208016e-03 6.22 -5.884399556e-03 6.24 -5.646502196e-03 6.26 -5.422804567e-03 6.28 -5.208926400e-03 6.30 -5.000893799e-03 6.32 -4.795185342e-03 6.34 -4.588772952e-03 6.36 -4.379140947e-03 6.38 -4.164297480e-03 6.40 -3.942770075e-03 6.42 -3.713598188e-03 6.44 -3.476305393e-03 6.46 -3.230879906e-03 6.48 -2.977732442e-03 6.50 -2.717662560e-03 6.52 -2.451809777e-03 6.54 -2.181611873e-03 6.56 -1.908750021e-03 6.58 -1.635104893e-03 6.60 -1.362699963e-03 6.62 -1.093654531e-03 6.64 -8.301334258e-04 6.66 -5.742990306e-04 6.68 -3.282636478e-04 6.70 -9.405180306e-05 6.72 1.264455273e-04 6.74 3.315019755e-04 6.76 5.195885105e-04 6.78 6.894040658e-04 6.80 8.398913696e-04 6.82 9.702617517e-04 6.84 1.080002962e-03 6.86 1.168890297e-03 6.88 1.236983168e-03 6.90 1.284631761e-03 6.92 1.312459506e-03 6.94 1.321358713e-03 6.96 1.312466746e-03 6.98 1.287148375e-03 7.00 1.246968636e-03 7.02 1.193663537e-03 7.04 1.129108542e-03 7.06 1.055278103e-03 7.08 9.742134687e-04 7.10 8.879790136e-04 7.12 7.986235683e-04 7.14 7.081382404e-04 7.16 6.184157180e-04 7.18 5.312098758e-04 7.20 4.481012769e-04 7.22 3.704611150e-04 7.24 2.994178193e-04 7.26 2.358389431e-04 7.28 1.803056007e-04 7.30 1.331054267e-04 7.32 9.422663358e-05 7.34 6.336595803e-05 7.36 3.994940418e-05 7.38 2.315725134e-05 7.40 1.197644962e-05 7.42 5.253475912e-06 7.44 1.777582796e-06 7.46 3.746492565e-07 7.48 2.498561095e-08 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