# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Wilson-S-R-Gunawardana-K-G-S-H-Mendelev-M-I--fictional-Na-2 # implementation = 2015--Wilson-S-R--fictional-Na-2--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 6.951384916e+03 0.14 5.404206997e+03 0.16 4.305177544e+03 0.18 3.495051881e+03 0.20 2.880501253e+03 0.22 2.403537355e+03 0.24 2.026411431e+03 0.26 1.723596299e+03 0.28 1.477273953e+03 0.30 1.274670920e+03 0.32 1.106419556e+03 0.34 9.655145321e+02 0.36 8.466279128e+02 0.38 7.456474836e+02 0.40 6.593581690e+02 0.42 5.852175518e+02 0.44 5.211947284e+02 0.46 4.656526838e+02 0.48 4.172611413e+02 0.50 3.749311152e+02 0.52 3.377651616e+02 0.54 3.050191455e+02 0.56 2.760725619e+02 0.58 2.504052896e+02 0.60 2.275792302e+02 0.62 2.072236968e+02 0.64 1.890237038e+02 0.66 1.727105231e+02 0.68 1.580540209e+02 0.70 1.448564064e+02 0.72 1.329471047e+02 0.74 1.221785325e+02 0.76 1.124226014e+02 0.78 1.035678111e+02 0.80 9.551682343e+01 0.82 8.818443030e+01 0.84 8.149584467e+01 0.86 7.538525905e+01 0.88 6.979462526e+01 0.90 6.467261833e+01 0.92 5.997375416e+01 0.94 5.565763591e+01 0.96 5.168830855e+01 0.98 4.803370457e+01 1.00 4.466516697e+01 1.02 4.155113265e+01 1.04 3.866492763e+01 1.06 3.598872633e+01 1.08 3.350618431e+01 1.10 3.120230842e+01 1.12 2.906333901e+01 1.14 2.707664293e+01 1.16 2.523061623e+01 1.18 2.351459571e+01 1.20 2.191877839e+01 1.22 2.043414823e+01 1.24 1.905240944e+01 1.26 1.776592568e+01 1.28 1.656766461e+01 1.30 1.545114747e+01 1.32 1.441040290e+01 1.34 1.343992500e+01 1.36 1.253463484e+01 1.38 1.168984549e+01 1.40 1.090122993e+01 1.42 1.016479181e+01 1.44 9.476838652e+00 1.46 8.833957380e+00 1.48 8.232991888e+00 1.50 7.671022531e+00 1.52 7.145347327e+00 1.54 6.653464735e+00 1.56 6.193057872e+00 1.58 5.761980033e+00 1.60 5.358241419e+00 1.62 4.979996944e+00 1.64 4.625535052e+00 1.66 4.293267439e+00 1.68 3.981719612e+00 1.70 3.689522213e+00 1.72 3.415403039e+00 1.74 3.158179704e+00 1.76 2.916752885e+00 1.78 2.690100103e+00 1.80 2.477270000e+00 1.82 2.277377065e+00 1.84 2.089596775e+00 1.86 1.913161109e+00 1.88 1.747354422e+00 1.90 1.591509627e+00 1.92 1.445004679e+00 1.94 1.307259328e+00 1.96 1.177732113e+00 1.98 1.055917598e+00 2.00 9.413437996e-01 2.02 8.335698282e-01 2.04 7.321836897e-01 2.06 6.368002616e-01 2.08 5.470594156e-01 2.10 4.626242804e-01 2.12 3.831796331e-01 2.14 3.084304077e-01 2.16 2.381003139e-01 2.18 1.719305553e-01 2.20 1.096786416e-01 2.22 5.111728592e-02 2.24 -3.966618196e-03 2.26 -5.577294624e-02 2.28 -1.044892254e-01 2.30 -1.502914544e-01 2.32 -1.933448655e-01 2.34 -2.338046316e-01 2.36 -2.718165242e-01 2.38 -3.075175277e-01 2.40 -3.410364094e-01 2.42 -3.724942486e-01 2.44 -4.020049301e-01 2.46 -4.296756071e-01 2.48 -4.556071299e-01 2.50 -4.798944407e-01 2.52 -5.026269511e-01 2.54 -5.238888908e-01 2.56 -5.437596248e-01 2.58 -5.623139617e-01 2.60 -5.796224379e-01 2.62 -5.957515719e-01 2.64 -6.107641209e-01 2.66 -6.247193077e-01 2.68 -6.376730286e-01 2.70 -6.496780689e-01 2.72 -6.607842758e-01 2.74 -6.710387435e-01 2.76 -6.804859791e-01 2.78 -6.891680439e-01 2.80 -6.971247194e-01 2.82 -7.043936157e-01 2.84 -7.110103250e-01 2.86 -7.170085168e-01 2.88 -7.224200669e-01 2.90 -7.272751501e-01 2.92 -7.316023429e-01 2.94 -7.354287166e-01 2.96 -7.387799164e-01 2.98 -7.416802532e-01 3.00 -7.441527688e-01 3.02 -7.461824319e-01 3.04 -7.477588601e-01 3.06 -7.489109470e-01 3.08 -7.496670979e-01 3.10 -7.500549619e-01 3.12 -7.501012516e-01 3.14 -7.498315272e-01 3.16 -7.492701255e-01 3.18 -7.484399809e-01 3.20 -7.473626356e-01 3.22 -7.460581225e-01 3.24 -7.445449908e-01 3.26 -7.428403023e-01 3.28 -7.409596077e-01 3.30 -7.389170683e-01 3.32 -7.367254050e-01 3.34 -7.343960424e-01 3.36 -7.319391634e-01 3.38 -7.293637334e-01 3.40 -7.266776973e-01 3.42 -7.238879695e-01 3.44 -7.210005638e-01 3.46 -7.180207554e-01 3.48 -7.149530500e-01 3.50 -7.118013758e-01 3.52 -7.085691993e-01 3.54 -7.052594830e-01 3.56 -7.018748963e-01 3.58 -6.984179026e-01 3.60 -6.948906910e-01 3.62 -6.912953760e-01 3.64 -6.876340812e-01 3.66 -6.839088345e-01 3.68 -6.801217161e-01 3.70 -6.762749651e-01 3.72 -6.723708702e-01 3.74 -6.684117837e-01 3.76 -6.644002766e-01 3.78 -6.603390930e-01 3.80 -6.562309706e-01 3.82 -6.520788127e-01 3.84 -6.478857053e-01 3.86 -6.436547746e-01 3.88 -6.393890643e-01 3.90 -6.350917148e-01 3.92 -6.307659155e-01 3.94 -6.264147131e-01 3.96 -6.220409191e-01 3.98 -6.176472898e-01 4.00 -6.132364658e-01 4.02 -6.088108219e-01 4.04 -6.043722728e-01 4.06 -5.999225486e-01 4.08 -5.954631546e-01 4.10 -5.909953353e-01 4.12 -5.865197943e-01 4.14 -5.820369384e-01 4.16 -5.775470365e-01 4.18 -5.730502404e-01 4.20 -5.685466023e-01 4.22 -5.640358421e-01 4.24 -5.595178802e-01 4.26 -5.549930251e-01 4.28 -5.504621330e-01 4.30 -5.459268124e-01 4.32 -5.413892202e-01 4.34 -5.368519225e-01 4.36 -5.323174546e-01 4.38 -5.277881899e-01 4.40 -5.232663495e-01 4.42 -5.187539292e-01 4.44 -5.142521966e-01 4.46 -5.097624645e-01 4.48 -5.052860400e-01 4.50 -5.008241660e-01 4.52 -4.963780253e-01 4.54 -4.919487406e-01 4.56 -4.875367403e-01 4.58 -4.831422602e-01 4.60 -4.787658442e-01 4.62 -4.744080468e-01 4.64 -4.700694324e-01 4.66 -4.657505756e-01 4.68 -4.614520607e-01 4.70 -4.571737967e-01 4.72 -4.529151124e-01 4.74 -4.486761564e-01 4.76 -4.444571480e-01 4.78 -4.402583658e-01 4.80 -4.360801440e-01 4.82 -4.319228683e-01 4.84 -4.277869716e-01 4.86 -4.236722944e-01 4.88 -4.195769977e-01 4.90 -4.155010795e-01 4.92 -4.114447955e-01 4.94 -4.074084810e-01 4.96 -4.033925443e-01 4.98 -3.993974597e-01 5.00 -3.954237613e-01 5.02 -3.914720368e-01 5.04 -3.875429213e-01 5.06 -3.836340468e-01 5.08 -3.797421355e-01 5.10 -3.758681023e-01 5.12 -3.720129190e-01 5.14 -3.681775860e-01 5.16 -3.643631266e-01 5.18 -3.605705817e-01 5.20 -3.568010045e-01 5.22 -3.530554556e-01 5.24 -3.493349986e-01 5.26 -3.456406958e-01 5.28 -3.419736036e-01 5.30 -3.383009325e-01 5.32 -3.345948814e-01 5.34 -3.308723913e-01 5.36 -3.271488480e-01 5.38 -3.234381233e-01 5.40 -3.197526800e-01 5.42 -3.161036704e-01 5.44 -3.125010294e-01 5.46 -3.089535619e-01 5.48 -3.054690246e-01 5.50 -3.020542036e-01 5.52 -2.987149863e-01 5.54 -2.954564298e-01 5.56 -2.922828245e-01 5.58 -2.891977537e-01 5.60 -2.862054641e-01 5.62 -2.833574564e-01 5.64 -2.806493019e-01 5.66 -2.780433558e-01 5.68 -2.755062421e-01 5.70 -2.730085173e-01 5.72 -2.705243548e-01 5.74 -2.680312501e-01 5.76 -2.655097451e-01 5.78 -2.629431699e-01 5.80 -2.603174020e-01 5.82 -2.576206417e-01 5.84 -2.548432026e-01 5.86 -2.519773159e-01 5.88 -2.490169494e-01 5.90 -2.459576379e-01 5.92 -2.427963268e-01 5.94 -2.395312264e-01 5.96 -2.361616766e-01 5.98 -2.326880224e-01 6.00 -2.291114984e-01 6.02 -2.254341219e-01 6.04 -2.216585951e-01 6.06 -2.177882142e-01 6.08 -2.138267865e-01 6.10 -2.097667822e-01 6.12 -2.056062773e-01 6.14 -2.013661167e-01 6.16 -1.970653645e-01 6.18 -1.927212687e-01 6.20 -1.883493967e-01 6.22 -1.839637626e-01 6.24 -1.795769459e-01 6.26 -1.752002033e-01 6.28 -1.708435718e-01 6.30 -1.665159671e-01 6.32 -1.622252735e-01 6.34 -1.579784289e-01 6.36 -1.537815043e-01 6.38 -1.496397770e-01 6.40 -1.455577999e-01 6.42 -1.415394652e-01 6.44 -1.375880641e-01 6.46 -1.337063422e-01 6.48 -1.298965512e-01 6.50 -1.261604968e-01 6.52 -1.224995828e-01 6.54 -1.189148525e-01 6.56 -1.154070268e-01 6.58 -1.119765393e-01 6.60 -1.086235692e-01 6.62 -1.053480707e-01 6.64 -1.021498013e-01 6.66 -9.902834660e-02 6.68 -9.598314393e-02 6.70 -9.301350343e-02 6.72 -9.011862745e-02 6.74 -8.729762821e-02 6.76 -8.454954364e-02 6.78 -8.187335175e-02 6.80 -7.926798344e-02 6.82 -7.673233388e-02 6.84 -7.426527257e-02 6.86 -7.186565201e-02 6.88 -6.953231527e-02 6.90 -6.726410224e-02 6.92 -6.505985485e-02 6.94 -6.291842114e-02 6.96 -6.083865830e-02 6.98 -5.881943471e-02 7.00 -5.685963095e-02 7.02 -5.495813991e-02 7.04 -5.311386593e-02 7.06 -5.132572305e-02 7.08 -4.959263237e-02 7.10 -4.791351848e-02 7.12 -4.628730512e-02 7.14 -4.471290988e-02 7.16 -4.318923810e-02 7.18 -4.171517595e-02 7.20 -4.028958258e-02 7.22 -3.891128151e-02 7.24 -3.757905111e-02 7.26 -3.629161428e-02 7.28 -3.504762719e-02 7.30 -3.384566727e-02 7.32 -3.268422463e-02 7.34 -3.156174044e-02 7.36 -3.047665789e-02 7.38 -2.942743512e-02 7.40 -2.841255319e-02 7.42 -2.743052321e-02 7.44 -2.647989254e-02 7.46 -2.555925030e-02 7.48 -2.466723202e-02 7.50 -2.380252369e-02 7.52 -2.296386507e-02 7.54 -2.215005239e-02 7.56 -2.135994053e-02 7.58 -2.059244455e-02 7.60 -1.984654078e-02 7.62 -1.912126741e-02 7.64 -1.841572466e-02 7.66 -1.772907452e-02 7.68 -1.706054009e-02 7.70 -1.640940466e-02 7.72 -1.577501040e-02 7.74 -1.515675677e-02 7.76 -1.455409870e-02 7.78 -1.396654455e-02 7.80 -1.339365380e-02 7.82 -1.283503463e-02 7.84 -1.229034134e-02 7.86 -1.175927154e-02 7.88 -1.124156339e-02 7.90 -1.073699261e-02 7.92 -1.024536950e-02 7.94 -9.766535865e-03 7.96 -9.300361972e-03 7.98 -8.846743423e-03 8.00 -8.405598083e-03 8.02 -7.976863009e-03 8.04 -7.560491424e-03 8.06 -7.156449738e-03 8.08 -6.764714640e-03 8.10 -6.385270265e-03 8.12 -6.018105453e-03 8.14 -5.663211114e-03 8.16 -5.320577703e-03 8.18 -4.990192819e-03 8.20 -4.672038939e-03 8.22 -4.366091293e-03 8.24 -4.072315883e-03 8.26 -3.790667667e-03 8.28 -3.521088892e-03 8.30 -3.263507607e-03 8.32 -3.017836337e-03 8.34 -2.783970940e-03 8.36 -2.561789638e-03 8.38 -2.351152228e-03 8.40 -2.151899477e-03 8.42 -1.963852700e-03 8.44 -1.786813519e-03 8.46 -1.620563805e-03 8.48 -1.464865798e-03 8.50 -1.319462406e-03 8.52 -1.184077681e-03 8.54 -1.058417463e-03 8.56 -9.421701881e-04 8.58 -8.350078631e-04 8.60 -7.365871897e-04 8.62 -6.465508383e-04 8.64 -5.645288613e-04 8.66 -4.901402373e-04 8.68 -4.229945383e-04 8.70 -3.626937082e-04 8.72 -3.088339428e-04 8.74 -2.610076602e-04 8.76 -2.188055476e-04 8.78 -1.818186735e-04 8.80 -1.496406502e-04 8.82 -1.218698317e-04 8.84 -9.811153268e-05 8.86 -7.798025235e-05 8.88 -6.110188479e-05 8.90 -4.711589995e-05 8.92 -3.567747570e-05 8.94 -2.645956215e-05 8.96 -1.915485813e-05 8.98 -1.347767908e-05 9.00 -9.165694881e-06 9.02 -5.981239356e-06 9.04 -3.709699987e-06 9.06 -2.157766190e-06 9.08 -1.154243080e-06 9.10 -5.508925091e-07 9.12 -2.229975851e-07 9.14 -6.962375801e-08 9.16 -1.354874078e-08 9.18 -8.327784862e-10 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