# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Wilson-S-R-Gunawardana-K-G-S-H-Mendelev-M-I--fictional-Na-3 # implementation = 2015--Wilson-S-R--fictional-Na-3--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 Na Na 0.02 3.585786438e+13 0.04 1.085786438e+13 0.06 2.524531044e+12 0.08 -1.642135622e+12 0.10 -1.117665090e+12 0.12 6.951384581e+03 0.14 5.404206692e+03 0.16 4.305177267e+03 0.18 3.495051630e+03 0.20 2.880501027e+03 0.22 2.403537151e+03 0.24 2.026411248e+03 0.26 1.723596136e+03 0.28 1.477273807e+03 0.30 1.274670791e+03 0.32 1.106419442e+03 0.34 9.655144313e+02 0.36 8.466278242e+02 0.38 7.456474061e+02 0.40 6.593581013e+02 0.42 5.852174930e+02 0.44 5.211946775e+02 0.46 4.656526400e+02 0.48 4.172611037e+02 0.50 3.749310830e+02 0.52 3.377651342e+02 0.54 3.050191223e+02 0.56 2.760725423e+02 0.58 2.504052732e+02 0.60 2.275792166e+02 0.62 2.072236855e+02 0.64 1.890236945e+02 0.66 1.727105155e+02 0.68 1.580540148e+02 0.70 1.448564016e+02 0.72 1.329471009e+02 0.74 1.221785295e+02 0.76 1.124225991e+02 0.78 1.035678093e+02 0.80 9.551682210e+01 0.82 8.818442932e+01 0.84 8.149584397e+01 0.86 7.538525856e+01 0.88 6.979462493e+01 0.90 6.467261811e+01 0.92 5.997375403e+01 0.94 5.565763583e+01 0.96 5.168830850e+01 0.98 4.803370455e+01 1.00 4.466516701e+01 1.02 4.154940696e+01 1.04 3.865856884e+01 1.06 3.597554325e+01 1.08 3.348458400e+01 1.10 3.117119499e+01 1.12 2.902202682e+01 1.14 2.702478245e+01 1.16 2.516813074e+01 1.18 2.344162745e+01 1.20 2.183564285e+01 1.22 2.034129557e+01 1.24 1.895039190e+01 1.26 1.765537025e+01 1.28 1.644925028e+01 1.30 1.532558626e+01 1.32 1.427842430e+01 1.34 1.330226316e+01 1.36 1.239201826e+01 1.38 1.154298876e+01 1.40 1.075082720e+01 1.42 1.001151176e+01 1.44 9.321320711e+00 1.46 8.676808998e+00 1.48 8.074786682e+00 1.50 7.512299163e+00 1.52 6.986608979e+00 1.54 6.495179080e+00 1.56 6.035657440e+00 1.58 5.605862902e+00 1.60 5.203772152e+00 1.62 4.827507722e+00 1.64 4.475326956e+00 1.66 4.145611831e+00 1.68 3.836859597e+00 1.70 3.547674133e+00 1.72 3.276757997e+00 1.74 3.022905080e+00 1.76 2.784993842e+00 1.78 2.561981066e+00 1.80 2.352896096e+00 1.82 2.156835517e+00 1.84 1.972958245e+00 1.86 1.800480990e+00 1.88 1.638674066e+00 1.90 1.486857521e+00 1.92 1.344397552e+00 1.94 1.210703203e+00 1.96 1.085223297e+00 1.98 9.674436098e-01 2.00 8.568842481e-01 2.02 7.530972239e-01 2.04 6.556642095e-01 2.06 5.641944581e-01 2.08 4.783228773e-01 2.10 3.977082442e-01 2.12 3.220315509e-01 2.14 2.509944707e-01 2.16 1.843179355e-01 2.18 1.217408160e-01 2.20 6.301869775e-02 2.22 7.922744104e-03 2.24 -4.376135830e-02 2.26 -9.223437884e-02 2.28 -1.376844535e-01 2.30 -1.802879307e-01 2.32 -2.202101572e-01 2.34 -2.576062082e-01 2.36 -2.926215657e-01 2.38 -3.253927520e-01 2.40 -3.560479180e-01 2.42 -3.847073888e-01 2.44 -4.114841719e-01 2.46 -4.364844347e-01 2.48 -4.598079454e-01 2.50 -4.815484807e-01 2.52 -5.017942129e-01 2.54 -5.206280695e-01 2.56 -5.381280588e-01 2.58 -5.543675865e-01 2.60 -5.694157481e-01 2.62 -5.833375891e-01 2.64 -5.961943680e-01 2.66 -6.080437890e-01 2.68 -6.189402149e-01 2.70 -6.289348868e-01 2.72 -6.380761010e-01 2.74 -6.464093980e-01 2.76 -6.539777312e-01 2.78 -6.608216111e-01 2.80 -6.669792739e-01 2.82 -6.724867917e-01 2.84 -6.773782281e-01 2.86 -6.816857349e-01 2.88 -6.854396818e-01 2.90 -6.886687515e-01 2.92 -6.914000417e-01 2.94 -6.936591600e-01 2.96 -6.954703029e-01 2.98 -6.968563483e-01 3.00 -6.978389163e-01 3.02 -6.984632999e-01 3.04 -6.987756245e-01 3.06 -6.987976271e-01 3.08 -6.985504970e-01 3.10 -6.980546579e-01 3.12 -6.973296300e-01 3.14 -6.963938556e-01 3.16 -6.952646672e-01 3.18 -6.939581442e-01 3.20 -6.924891575e-01 3.22 -6.908712837e-01 3.24 -6.891168584e-01 3.26 -6.872369988e-01 3.28 -6.852416018e-01 3.30 -6.831394857e-01 3.32 -6.809383559e-01 3.34 -6.786449613e-01 3.36 -6.762651600e-01 3.38 -6.738039505e-01 3.40 -6.712656721e-01 3.42 -6.686539965e-01 3.44 -6.659720550e-01 3.46 -6.632225959e-01 3.48 -6.604079454e-01 3.50 -6.575301889e-01 3.52 -6.545912735e-01 3.54 -6.515929496e-01 3.56 -6.485369635e-01 3.58 -6.454251240e-01 3.60 -6.422592117e-01 3.62 -6.390411538e-01 3.64 -6.357730817e-01 3.66 -6.324571991e-01 3.68 -6.290959008e-01 3.70 -6.256918495e-01 3.72 -6.222478364e-01 3.74 -6.187667645e-01 3.76 -6.152517729e-01 3.78 -6.117061601e-01 3.80 -6.081331752e-01 3.82 -6.045361604e-01 3.84 -6.009185409e-01 3.86 -5.972836555e-01 3.88 -5.936346106e-01 3.90 -5.899744378e-01 3.92 -5.863060275e-01 3.94 -5.826319222e-01 3.96 -5.789542126e-01 3.98 -5.752747107e-01 4.00 -5.715948873e-01 4.02 -5.679157243e-01 4.04 -5.642375306e-01 4.06 -5.605602322e-01 4.08 -5.568833545e-01 4.10 -5.532060167e-01 4.12 -5.495266890e-01 4.14 -5.458434844e-01 4.16 -5.421543728e-01 4.18 -5.384572686e-01 4.20 -5.347501249e-01 4.22 -5.310307886e-01 4.24 -5.272976339e-01 4.26 -5.235498621e-01 4.28 -5.197877877e-01 4.30 -5.160131839e-01 4.32 -5.122291790e-01 4.34 -5.084396674e-01 4.36 -5.046483402e-01 4.38 -5.008585215e-01 4.40 -4.970731966e-01 4.42 -4.932949551e-01 4.44 -4.895255058e-01 4.46 -4.857664644e-01 4.48 -4.820193179e-01 4.50 -4.782853789e-01 4.52 -4.745658037e-01 4.54 -4.708616034e-01 4.56 -4.671730213e-01 4.58 -4.635000454e-01 4.60 -4.598429187e-01 4.62 -4.562018505e-01 4.64 -4.525770252e-01 4.66 -4.489686092e-01 4.68 -4.453767586e-01 4.70 -4.418009404e-01 4.72 -4.382400336e-01 4.74 -4.346937349e-01 4.76 -4.311618146e-01 4.78 -4.276441098e-01 4.80 -4.241405244e-01 4.82 -4.206510288e-01 4.84 -4.171756590e-01 4.86 -4.137138791e-01 4.88 -4.102634972e-01 4.90 -4.068241837e-01 4.92 -4.033958932e-01 4.94 -3.999786883e-01 4.96 -3.965727335e-01 4.98 -3.931782895e-01 5.00 -3.897957068e-01 5.02 -3.864254196e-01 5.04 -3.830679405e-01 5.06 -3.797208085e-01 5.08 -3.763806824e-01 5.10 -3.730484427e-01 5.12 -3.697250546e-01 5.14 -3.664115388e-01 5.16 -3.631089648e-01 5.18 -3.598184438e-01 5.20 -3.565411227e-01 5.22 -3.532781772e-01 5.24 -3.500308058e-01 5.26 -3.468002238e-01 5.28 -3.435876572e-01 5.30 -3.403605006e-01 5.32 -3.370911503e-01 5.34 -3.337967550e-01 5.36 -3.304929175e-01 5.38 -3.271937338e-01 5.40 -3.239118963e-01 5.42 -3.206587900e-01 5.44 -3.174445843e-01 5.46 -3.142783181e-01 5.48 -3.111679803e-01 5.50 -3.081205852e-01 5.52 -3.051422430e-01 5.54 -3.022382264e-01 5.56 -2.994130328e-01 5.58 -2.966704425e-01 5.60 -2.940148875e-01 5.62 -2.914980410e-01 5.64 -2.891156327e-01 5.66 -2.868301611e-01 5.68 -2.846083774e-01 5.70 -2.824209479e-01 5.72 -2.802421382e-01 5.74 -2.780495172e-01 5.76 -2.758236811e-01 5.78 -2.735479944e-01 5.80 -2.712083495e-01 5.82 -2.687929408e-01 5.84 -2.662920559e-01 5.86 -2.636978798e-01 5.88 -2.610043136e-01 5.90 -2.582068060e-01 5.92 -2.553021962e-01 5.94 -2.522885695e-01 5.96 -2.491651223e-01 5.98 -2.459320385e-01 6.00 -2.425903745e-01 6.02 -2.391419540e-01 6.04 -2.355892703e-01 6.06 -2.319353972e-01 6.08 -2.281839075e-01 6.10 -2.243270256e-01 6.12 -2.203625724e-01 6.14 -2.163111294e-01 6.16 -2.121914914e-01 6.18 -2.080206325e-01 6.20 -2.038138430e-01 6.22 -1.995848592e-01 6.24 -1.953459840e-01 6.26 -1.911081997e-01 6.28 -1.868812748e-01 6.30 -1.826738624e-01 6.32 -1.784935939e-01 6.34 -1.743471652e-01 6.36 -1.702404184e-01 6.38 -1.661784171e-01 6.40 -1.621655178e-01 6.42 -1.582054357e-01 6.44 -1.543013061e-01 6.46 -1.504557422e-01 6.48 -1.466708885e-01 6.50 -1.429484700e-01 6.52 -1.392898390e-01 6.54 -1.356960175e-01 6.56 -1.321677369e-01 6.58 -1.287054745e-01 6.60 -1.253094879e-01 6.62 -1.219798451e-01 6.64 -1.187164541e-01 6.66 -1.155190883e-01 6.68 -1.123874105e-01 6.70 -1.093209947e-01 6.72 -1.063193451e-01 6.74 -1.033819141e-01 6.76 -1.005081174e-01 6.78 -9.769734766e-02 6.80 -9.494898638e-02 6.82 -9.226241392e-02 6.84 -8.963701777e-02 6.86 -8.707219930e-02 6.88 -8.456737876e-02 6.90 -8.212199875e-02 6.92 -7.973552614e-02 6.94 -7.740745241e-02 6.96 -7.513729252e-02 6.98 -7.292458225e-02 7.00 -7.076887399e-02 7.02 -6.866973119e-02 7.04 -6.662672111e-02 7.06 -6.463940628e-02 7.08 -6.270733429e-02 7.10 -6.083002619e-02 7.12 -5.900696329e-02 7.14 -5.723757245e-02 7.16 -5.552120984e-02 7.18 -5.385714301e-02 7.20 -5.224453151e-02 7.22 -5.068240573e-02 7.24 -4.916964417e-02 7.26 -4.770494893e-02 7.28 -4.628681960e-02 7.30 -4.491352519e-02 7.32 -4.358308863e-02 7.34 -4.229341677e-02 7.36 -4.104245206e-02 7.38 -3.982819409e-02 7.40 -3.864870658e-02 7.42 -3.750212341e-02 7.44 -3.638665390e-02 7.46 -3.530058712e-02 7.48 -3.424229550e-02 7.50 -3.321023765e-02 7.52 -3.220296054e-02 7.54 -3.121910095e-02 7.56 -3.025738642e-02 7.58 -2.931663550e-02 7.60 -2.839575757e-02 7.62 -2.749375212e-02 7.64 -2.660970760e-02 7.66 -2.574279979e-02 7.68 -2.489228987e-02 7.70 -2.405752206e-02 7.72 -2.323792100e-02 7.74 -2.243298876e-02 7.76 -2.164230170e-02 7.78 -2.086550697e-02 7.80 -2.010231892e-02 7.82 -1.935251529e-02 7.84 -1.861593322e-02 7.86 -1.789246515e-02 7.88 -1.718205471e-02 7.90 -1.648469237e-02 7.92 -1.580041116e-02 7.94 -1.512928233e-02 7.96 -1.447141098e-02 7.98 -1.382693169e-02 8.00 -1.319600423e-02 8.02 -1.257880925e-02 8.04 -1.197554407e-02 8.06 -1.138641856e-02 8.08 -1.081165109e-02 8.10 -1.025146461e-02 8.12 -9.706082802e-03 8.14 -9.175726475e-03 8.16 -8.660610006e-03 8.18 -8.160938000e-03 8.20 -7.676902103e-03 8.22 -7.208678006e-03 8.24 -6.756422636e-03 8.26 -6.320271549e-03 8.28 -5.900336534e-03 8.30 -5.496703427e-03 8.32 -5.109430152e-03 8.34 -4.738544982e-03 8.36 -4.384045040e-03 8.38 -4.045895021e-03 8.40 -3.724026169e-03 8.42 -3.418335475e-03 8.44 -3.128685134e-03 8.46 -2.854902229e-03 8.48 -2.596778663e-03 8.50 -2.354071332e-03 8.52 -2.126502534e-03 8.54 -1.913760613e-03 8.56 -1.715500839e-03 8.58 -1.531346513e-03 8.60 -1.360890295e-03 8.62 -1.203695754e-03 8.64 -1.059299120e-03 8.66 -9.272112502e-04 8.68 -8.069197833e-04 8.70 -6.978914813e-04 8.72 -5.995747503e-04 8.74 -5.114023255e-04 8.76 -4.327941121e-04 8.78 -3.631601689e-04 8.80 -3.019038210e-04 8.82 -2.484248903e-04 8.84 -2.021230263e-04 8.86 -1.624011241e-04 8.88 -1.286688134e-04 8.90 -1.003460002e-04 8.92 -7.686644475e-05 8.94 -5.768135790e-05 8.96 -4.226299467e-05 8.98 -3.010822685e-05 9.00 -2.074207292e-05 9.02 -1.372088808e-05 9.04 -8.632723386e-06 9.06 -5.097633161e-06 9.08 -2.770638118e-06 9.10 -1.344806619e-06 9.12 -5.541508610e-07 9.14 -1.763115833e-07 9.16 -3.500412576e-08 9.18 -2.197830061e-09 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