# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Kim-Y-M-Kim-N-J-Lee-B-J--Mg # implementation = 2009--Kim-Y-M--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 2.888691025e+02 0.04 2.768394410e+02 0.06 2.652922638e+02 0.08 2.542087332e+02 0.10 2.435707309e+02 0.12 2.333608312e+02 0.14 2.235622752e+02 0.16 2.141589451e+02 0.18 2.051353410e+02 0.20 1.964765571e+02 0.22 1.881682595e+02 0.24 1.801966648e+02 0.26 1.725485191e+02 0.28 1.652110786e+02 0.30 1.581720895e+02 0.32 1.514197703e+02 0.34 1.449427935e+02 0.36 1.387302689e+02 0.38 1.327717263e+02 0.40 1.270571005e+02 0.42 1.215767152e+02 0.44 1.163212689e+02 0.46 1.112818202e+02 0.48 1.064497744e+02 0.50 1.018168700e+02 0.52 9.737516680e+01 0.54 9.311703270e+01 0.56 8.903513267e+01 0.58 8.512241718e+01 0.60 8.137211134e+01 0.62 7.777770445e+01 0.64 7.433293991e+01 0.66 7.103180550e+01 0.68 6.786852407e+01 0.70 6.483754453e+01 0.72 6.193353320e+01 0.74 5.915136548e+01 0.76 5.648611785e+01 0.78 5.393306014e+01 0.80 5.148764814e+01 0.82 4.914551640e+01 0.84 4.690247144e+01 0.86 4.475448504e+01 0.88 4.269768798e+01 0.90 4.072836382e+01 0.92 3.884294308e+01 0.94 3.703799754e+01 0.96 3.531023479e+01 0.98 3.365649301e+01 1.00 3.207373587e+01 1.02 3.055904771e+01 1.04 2.910962888e+01 1.06 2.772279122e+01 1.08 2.639595374e+01 1.10 2.512663849e+01 1.12 2.391246652e+01 1.14 2.275115406e+01 1.16 2.164050881e+01 1.18 2.057842639e+01 1.20 1.956288692e+01 1.22 1.859195168e+01 1.24 1.766376004e+01 1.26 1.677652630e+01 1.28 1.592853687e+01 1.30 1.511814735e+01 1.32 1.434377993e+01 1.34 1.360392068e+01 1.36 1.289711712e+01 1.38 1.222197578e+01 1.40 1.157715988e+01 1.42 1.096138711e+01 1.44 1.037342751e+01 1.46 9.812101350e+00 1.48 9.276277210e+00 1.50 8.764870036e+00 1.52 8.276839322e+00 1.54 7.811187344e+00 1.56 7.366957462e+00 1.58 6.943232491e+00 1.60 6.539133130e+00 1.62 6.153816453e+00 1.64 5.786474457e+00 1.66 5.436332667e+00 1.68 5.102648786e+00 1.70 4.784711409e+00 1.72 4.481838775e+00 1.74 4.193377568e+00 1.76 3.918701771e+00 1.78 3.657211552e+00 1.80 3.408332201e+00 1.82 3.171513104e+00 1.84 2.946226756e+00 1.86 2.731967813e+00 1.88 2.528252177e+00 1.90 2.334616120e+00 1.92 2.150615444e+00 1.94 1.975824663e+00 1.96 1.809836231e+00 1.98 1.652259793e+00 2.00 1.502721463e+00 2.02 1.360863140e+00 2.04 1.226341846e+00 2.06 1.098829092e+00 2.08 9.780102733e-01 2.10 8.635840853e-01 2.12 7.552619704e-01 2.14 6.527675849e-01 2.16 5.558362906e-01 2.18 4.642146682e-01 2.20 3.776600529e-01 2.22 2.959400908e-01 2.24 2.188323141e-01 2.26 1.461237364e-01 2.28 7.761046545e-02 2.30 1.309733294e-02 2.32 -4.760245929e-02 2.34 -1.046676781e-01 2.36 -1.582693832e-01 2.38 -2.085712385e-01 2.40 -2.557298102e-01 2.42 -2.998948531e-01 2.44 -3.412095870e-01 2.46 -3.798109610e-01 2.48 -4.158299099e-01 2.50 -4.493916001e-01 2.52 -4.806156680e-01 2.54 -5.096164495e-01 2.56 -5.365032020e-01 2.58 -5.613803190e-01 2.60 -5.843475374e-01 2.62 -6.055001373e-01 2.64 -6.249291357e-01 2.66 -6.427214728e-01 2.68 -6.589601915e-01 2.70 -6.737246107e-01 2.72 -6.870904911e-01 2.74 -6.991301956e-01 2.76 -7.099128419e-01 2.78 -7.195044491e-01 2.80 -7.279680782e-01 2.82 -7.353639656e-01 2.84 -7.417496505e-01 2.86 -7.471800967e-01 2.88 -7.517078074e-01 2.90 -7.553829354e-01 2.92 -7.582533868e-01 2.94 -7.603649197e-01 2.96 -7.617612379e-01 2.98 -7.624840790e-01 3.00 -7.625732990e-01 3.02 -7.620669515e-01 3.04 -7.610013632e-01 3.06 -7.594112057e-01 3.08 -7.573295631e-01 3.10 -7.547879972e-01 3.12 -7.518166083e-01 3.14 -7.484440943e-01 3.16 -7.446978065e-01 3.18 -7.406038028e-01 3.20 -7.361868994e-01 3.22 -7.314707189e-01 3.24 -7.264777381e-01 3.26 -7.212293328e-01 3.28 -7.157458216e-01 3.30 -7.100465074e-01 3.32 -7.041497179e-01 3.34 -6.980728449e-01 3.36 -6.918323818e-01 3.38 -6.854439601e-01 3.40 -6.789223844e-01 3.42 -6.722816670e-01 3.44 -6.655350607e-01 3.46 -6.586950905e-01 3.48 -6.517735853e-01 3.50 -6.447817070e-01 3.52 -6.377299805e-01 3.54 -6.306283208e-01 3.56 -6.234860610e-01 3.58 -6.163119781e-01 3.60 -6.091143188e-01 3.62 -6.019008235e-01 3.64 -5.946787505e-01 3.66 -5.874548987e-01 3.68 -5.802356295e-01 3.70 -5.730268882e-01 3.72 -5.658342243e-01 3.74 -5.586628114e-01 3.76 -5.515174658e-01 3.78 -5.444026649e-01 3.80 -5.373225645e-01 3.82 -5.302810154e-01 3.84 -5.232815799e-01 3.86 -5.163275464e-01 3.88 -5.094219447e-01 3.90 -5.025675596e-01 3.92 -4.957669445e-01 3.94 -4.890224342e-01 3.96 -4.823361570e-01 3.98 -4.757100464e-01 4.00 -4.691458520e-01 4.02 -4.626451504e-01 4.04 -4.562093547e-01 4.06 -4.498397247e-01 4.08 -4.435373752e-01 4.10 -4.373032853e-01 4.12 -4.311383061e-01 4.14 -4.250431687e-01 4.16 -4.190184914e-01 4.18 -4.130647868e-01 4.20 -4.071824683e-01 4.22 -4.013718562e-01 4.24 -3.956331841e-01 4.26 -3.899666039e-01 4.28 -3.843721917e-01 4.30 -3.788499524e-01 4.32 -3.733998243e-01 4.34 -3.680216844e-01 4.36 -3.627153515e-01 4.38 -3.574805914e-01 4.40 -3.523171196e-01 4.42 -3.472246058e-01 4.44 -3.422026766e-01 4.46 -3.372509190e-01 4.48 -3.323688836e-01 4.50 -3.275560871e-01 4.52 -3.228120153e-01 4.54 -3.181361252e-01 4.56 -3.135278480e-01 4.58 -3.089865909e-01 4.60 -3.045117397e-01 4.62 -3.001026601e-01 4.64 -2.957587004e-01 4.66 -2.914791928e-01 4.68 -2.872634552e-01 4.70 -2.831107929e-01 4.72 -2.790205000e-01 4.74 -2.749918609e-01 4.76 -2.710241513e-01 4.78 -2.671166401e-01 4.80 -2.632685901e-01 4.82 -2.594792590e-01 4.84 -2.557479009e-01 4.86 -2.520737668e-01 4.88 -2.484561060e-01 4.90 -2.448941665e-01 4.92 -2.413871959e-01 4.94 -2.379344425e-01 4.96 -2.345351556e-01 4.98 -2.311885862e-01 5.00 -2.278939877e-01 5.02 -2.246506168e-01 5.04 -2.214577332e-01 5.06 -2.183146008e-01 5.08 -2.152204881e-01 5.10 -2.121746680e-01 5.12 -2.091764191e-01 5.14 -2.062250252e-01 5.16 -2.033197763e-01 5.18 -2.004599684e-01 5.20 -1.976449041e-01 5.22 -1.948738926e-01 5.24 -1.921462503e-01 5.26 -1.894613004e-01 5.28 -1.868183737e-01 5.30 -1.842168085e-01 5.32 -1.816559505e-01 5.34 -1.791351536e-01 5.36 -1.766537791e-01 5.38 -1.742111966e-01 5.40 -1.718067837e-01 5.42 -1.694399260e-01 5.44 -1.671100176e-01 5.46 -1.648164604e-01 5.48 -1.625586648e-01 5.50 -1.603360496e-01 5.52 -1.581480416e-01 5.54 -1.559940761e-01 5.56 -1.538735966e-01 5.58 -1.517860549e-01 5.60 -1.497309111e-01 5.62 -1.477076334e-01 5.64 -1.457156983e-01 5.66 -1.437545904e-01 5.68 -1.418238022e-01 5.70 -1.399228347e-01 5.72 -1.380511964e-01 5.74 -1.362084041e-01 5.76 -1.343939821e-01 5.78 -1.326074628e-01 5.80 -1.308483860e-01 5.82 -1.291162995e-01 5.84 -1.274107583e-01 5.86 -1.257313250e-01 5.88 -1.240775698e-01 5.90 -1.224490697e-01 5.92 -1.205811844e-01 5.94 -1.150956407e-01 5.96 -9.699798249e-02 5.98 -5.396259072e-02 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