# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Wilson-S-R-Mendelev-M-I--Mg # implementation = 2016--Wilson-S-R--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 4.352908273e+13 0.04 1.852908273e+13 0.06 1.019574939e+13 0.08 6.029082727e+12 0.10 2.461644129e+12 0.12 8.107195440e+03 0.14 6.284519206e+03 0.16 4.991647377e+03 0.18 4.039994788e+03 0.20 3.319130742e+03 0.22 2.760489972e+03 0.24 2.319465441e+03 0.26 1.965908209e+03 0.28 1.678784846e+03 0.30 1.443024457e+03 0.32 1.247580559e+03 0.34 1.084197313e+03 0.36 9.465998927e+02 0.38 8.299488216e+02 0.40 7.304634677e+02 0.42 6.451567636e+02 0.44 5.716447919e+02 0.46 5.080078142e+02 0.48 4.526873257e+02 0.50 4.044087688e+02 0.52 3.621228062e+02 0.54 3.249602086e+02 0.56 2.921968566e+02 0.58 2.632263436e+02 0.60 2.375383529e+02 0.62 2.147014638e+02 0.64 1.943493830e+02 0.66 1.761698509e+02 0.68 1.598956476e+02 0.70 1.452972633e+02 0.72 1.321768928e+02 0.74 1.203634921e+02 0.76 1.097086906e+02 0.78 1.000833961e+02 0.80 9.137496496e+01 0.82 8.348483271e+01 0.84 7.632652426e+01 0.86 6.982397652e+01 0.88 6.391011993e+01 0.90 5.852567487e+01 0.92 5.361812756e+01 0.94 4.914085594e+01 0.96 4.505238148e+01 0.98 4.131572707e+01 1.00 3.789786443e+01 1.02 3.476923735e+01 1.04 3.190334934e+01 1.06 2.927640612e+01 1.08 2.686700483e+01 1.10 2.465586342e+01 1.12 2.262558430e+01 1.14 2.076044756e+01 1.16 1.904622965e+01 1.18 1.747004408e+01 1.20 1.602020109e+01 1.22 1.468608393e+01 1.24 1.345803941e+01 1.26 1.232728098e+01 1.28 1.128580282e+01 1.30 1.032630332e+01 1.32 9.442117047e+00 1.34 8.627154029e+00 1.36 7.875845490e+00 1.38 7.183095290e+00 1.40 6.544236395e+00 1.42 5.954991790e+00 1.44 5.411439335e+00 1.46 4.909980122e+00 1.48 4.447309935e+00 1.50 4.020393485e+00 1.52 3.626441105e+00 1.54 3.262887663e+00 1.56 2.927373440e+00 1.58 2.617726780e+00 1.60 2.331948482e+00 1.62 2.071396264e+00 1.64 1.836705347e+00 1.66 1.625152875e+00 1.68 1.434308066e+00 1.70 1.261998691e+00 1.72 1.106281835e+00 1.74 9.654182216e-01 1.76 8.378496550e-01 1.78 7.221791614e-01 1.80 6.171534874e-01 1.82 5.216476574e-01 1.84 4.346513360e-01 1.86 3.552567559e-01 1.88 2.826480304e-01 1.90 2.160916964e-01 1.92 1.549282882e-01 1.94 9.856489418e-02 1.96 4.646850964e-02 1.98 -1.839878389e-03 2.00 -4.679053388e-02 2.02 -8.876966932e-02 2.04 -1.281236359e-01 2.06 -1.651626594e-01 2.08 -2.001641814e-01 2.10 -2.333758509e-01 2.12 -2.650182055e-01 2.14 -2.952870753e-01 2.16 -3.243557444e-01 2.18 -3.523768980e-01 2.20 -3.794843905e-01 2.22 -4.057948204e-01 2.24 -4.314089277e-01 2.26 -4.564129449e-01 2.28 -4.808798625e-01 2.30 -5.048703463e-01 2.32 -5.284338216e-01 2.34 -5.516095858e-01 2.36 -5.744272247e-01 2.38 -5.969079901e-01 2.40 -6.190649804e-01 2.42 -6.409043856e-01 2.44 -6.624256440e-01 2.46 -6.836226968e-01 2.48 -7.044837976e-01 2.50 -7.249932177e-01 2.52 -7.451304630e-01 2.54 -7.648721851e-01 2.56 -7.841918850e-01 2.58 -8.030603485e-01 2.60 -8.214472915e-01 2.62 -8.388062528e-01 2.64 -8.546999154e-01 2.66 -8.692480504e-01 2.68 -8.825540994e-01 2.70 -8.947062811e-01 2.72 -9.057798558e-01 2.74 -9.158379092e-01 2.76 -9.249312509e-01 2.78 -9.331012969e-01 2.80 -9.403816732e-01 2.82 -9.467993075e-01 2.84 -9.523740006e-01 2.86 -9.571208833e-01 2.88 -9.610521431e-01 2.90 -9.641780205e-01 2.92 -9.665075862e-01 2.94 -9.680479887e-01 2.96 -9.688075086e-01 2.98 -9.687961305e-01 3.00 -9.680261440e-01 3.02 -9.665127529e-01 3.04 -9.642728798e-01 3.06 -9.613255536e-01 3.08 -9.576944019e-01 3.10 -9.534067902e-01 3.12 -9.484938448e-01 3.14 -9.429903695e-01 3.16 -9.369343713e-01 3.18 -9.303640674e-01 3.20 -9.233219378e-01 3.22 -9.158536501e-01 3.24 -9.080068295e-01 3.26 -8.998304269e-01 3.28 -8.913740374e-01 3.30 -8.826871814e-01 3.32 -8.738176538e-01 3.34 -8.648067062e-01 3.36 -8.556963702e-01 3.38 -8.465257621e-01 3.40 -8.373296002e-01 3.42 -8.281375937e-01 3.44 -8.189739361e-01 3.46 -8.098569277e-01 3.48 -8.007987565e-01 3.50 -7.918054639e-01 3.52 -7.828715595e-01 3.54 -7.739823213e-01 3.56 -7.651279067e-01 3.58 -7.562948481e-01 3.60 -7.474672601e-01 3.62 -7.386286080e-01 3.64 -7.297639053e-01 3.66 -7.208623815e-01 3.68 -7.119206608e-01 3.70 -7.029464966e-01 3.72 -6.939620693e-01 3.74 -6.849968342e-01 3.76 -6.760611521e-01 3.78 -6.670768245e-01 3.80 -6.580743501e-01 3.82 -6.491014140e-01 3.84 -6.401999421e-01 3.86 -6.314065204e-01 3.88 -6.227528188e-01 3.90 -6.142659911e-01 3.92 -6.059690524e-01 3.94 -5.978812317e-01 3.96 -5.900183037e-01 3.98 -5.823929000e-01 4.00 -5.750148003e-01 4.02 -5.678912052e-01 4.04 -5.610269924e-01 4.06 -5.544249549e-01 4.08 -5.480860246e-01 4.10 -5.420282105e-01 4.12 -5.363456972e-01 4.14 -5.309881021e-01 4.16 -5.258853458e-01 4.18 -5.209738199e-01 4.20 -5.161958809e-01 4.22 -5.114993882e-01 4.24 -5.068372817e-01 4.26 -5.021671980e-01 4.28 -4.974511194e-01 4.30 -4.926550562e-01 4.32 -4.877487560e-01 4.34 -4.827054418e-01 4.36 -4.775015723e-01 4.38 -4.721166267e-01 4.40 -4.665329079e-01 4.42 -4.607353662e-01 4.44 -4.547114386e-01 4.46 -4.484509045e-01 4.48 -4.419457550e-01 4.50 -4.351900754e-01 4.52 -4.281799387e-01 4.54 -4.209133102e-01 4.56 -4.133899609e-01 4.58 -4.056113897e-01 4.60 -3.975807529e-01 4.62 -3.892980803e-01 4.64 -3.807334842e-01 4.66 -3.719138930e-01 4.68 -3.628785860e-01 4.70 -3.536646911e-01 4.72 -3.443073449e-01 4.74 -3.348396741e-01 4.76 -3.252927388e-01 4.78 -3.156956102e-01 4.80 -3.060754595e-01 4.82 -2.964576435e-01 4.84 -2.868657861e-01 4.86 -2.773218566e-01 4.88 -2.678462441e-01 4.90 -2.584578281e-01 4.92 -2.491740461e-01 4.94 -2.400109568e-01 4.96 -2.309833005e-01 4.98 -2.221045559e-01 5.00 -2.133869930e-01 5.02 -2.048417238e-01 5.04 -1.964787486e-01 5.06 -1.883070001e-01 5.08 -1.803343848e-01 5.10 -1.725678203e-01 5.12 -1.650132718e-01 5.14 -1.576757845e-01 5.16 -1.505595148e-01 5.18 -1.436677589e-01 5.20 -1.370029794e-01 5.22 -1.305668307e-01 5.24 -1.243601822e-01 5.26 -1.183831404e-01 5.28 -1.126350703e-01 5.30 -1.071146153e-01 5.32 -1.018197243e-01 5.34 -9.674775377e-02 5.36 -9.189556810e-02 5.38 -8.725956558e-02 5.40 -8.283569597e-02 5.42 -7.861947864e-02 5.44 -7.460602136e-02 5.46 -7.079004007e-02 5.48 -6.716587981e-02 5.50 -6.372753739e-02 5.52 -6.046868580e-02 5.54 -5.738270083e-02 5.56 -5.446269012e-02 5.58 -5.170152492e-02 5.60 -4.909187479e-02 5.62 -4.662624553e-02 5.64 -4.429702055e-02 5.66 -4.209650607e-02 5.68 -4.001698008e-02 5.70 -3.805074567e-02 5.72 -3.619018867e-02 5.74 -3.442783998e-02 5.76 -3.275644274e-02 5.78 -3.116902458e-02 5.80 -2.965897524e-02 5.82 -2.822012955e-02 5.84 -2.684685635e-02 5.86 -2.553415308e-02 5.88 -2.427774677e-02 5.90 -2.307420113e-02 5.92 -2.192103036e-02 5.94 -2.081681959e-02 5.96 -1.976135230e-02 5.98 -1.875574490e-02 6.00 -1.780258856e-02 6.02 -1.690591144e-02 6.04 -1.606931456e-02 6.06 -1.529426146e-02 6.08 -1.458029511e-02 6.10 -1.392540733e-02 6.12 -1.332637066e-02 6.14 -1.277903474e-02 6.16 -1.227858945e-02 6.18 -1.181979665e-02 6.20 -1.139719277e-02 6.22 -1.100526213e-02 6.24 -1.063856673e-02 6.26 -1.029185241e-02 6.28 -9.960151496e-03 6.30 -9.638867095e-03 6.32 -9.323838824e-03 6.34 -9.011391673e-03 6.36 -8.698369484e-03 6.38 -8.382154538e-03 6.40 -8.060674708e-03 6.42 -7.732399526e-03 6.44 -7.396326498e-03 6.46 -7.051958929e-03 6.48 -6.699276458e-03 6.50 -6.338699460e-03 6.52 -5.971048407e-03 6.54 -5.597499222e-03 6.56 -5.219535611e-03 6.58 -4.838899299e-03 6.60 -4.457539040e-03 6.62 -4.077559205e-03 6.64 -3.701168716e-03 6.66 -3.330631021e-03 6.68 -2.968215752e-03 6.70 -2.616152660e-03 6.72 -2.276588352e-03 6.74 -1.951546312e-03 6.76 -1.642890620e-03 6.78 -1.352293737e-03 6.80 -1.081208659e-03 6.82 -8.308456951e-04 6.84 -6.021540590e-04 6.86 -3.958084201e-04 6.88 -2.122004897e-04 6.90 -5.143567283e-05 6.92 8.666524524e-05 6.94 2.025594639e-04 6.96 2.969707249e-04 6.98 3.708732613e-04 7.00 4.254713917e-04 7.02 4.621750704e-04 7.04 4.825717599e-04 7.06 4.883950476e-04 7.08 4.814904869e-04 7.10 4.637791959e-04 7.12 4.372198060e-04 7.14 4.037694065e-04 7.16 3.653441888e-04 7.18 3.237805495e-04 7.20 2.807974681e-04 7.22 2.379610297e-04 7.24 1.966520217e-04 7.26 1.580375879e-04 7.28 1.230479787e-04 7.30 9.235949488e-05 7.32 6.638477674e-05 7.34 4.527164577e-05 7.36 2.891176432e-05 7.38 1.696043319e-05 7.40 8.868903671e-06 7.42 3.930636688e-06 7.44 1.342997925e-06 7.46 2.859336101e-07 7.48 1.922805935e-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