# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1958--Bernardes-N--Ne # implementation = LJ_Shifted_Bernardes_1958LowCutoff_Ne__MO_466741694288_004 # 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 2024-11-27 r Ne Ne 0.02 5.420863742e+23 0.04 1.323453062e+20 0.06 1.020031149e+18 0.08 3.231086575e+16 0.10 2.220385783e+15 0.12 2.490310406e+14 0.14 3.916444740e+13 0.16 7.888394651e+12 0.18 1.919368411e+12 0.20 5.420862922e+11 0.22 1.727253784e+11 0.24 6.079856687e+10 0.26 2.326740484e+10 0.28 9.561621947e+09 0.30 4.178040391e+09 0.32 1.925872790e+09 0.34 9.304217391e+08 0.36 4.685934306e+08 0.38 2.449188375e+08 0.40 1.323440251e+08 0.42 7.369386267e+07 0.44 4.216857002e+07 0.46 2.473573019e+07 0.48 1.484297780e+07 0.50 9.094364371e+06 0.52 5.680257503e+06 0.54 3.611418954e+06 0.56 2.334212880e+06 0.58 1.531981229e+06 0.60 1.019918685e+06 0.62 6.881290085e+05 0.64 4.701086233e+05 0.66 3.249498757e+05 0.68 2.271015014e+05 0.70 1.603729792e+05 0.72 1.143656172e+05 0.74 8.231504918e+04 0.76 5.976783382e+04 0.78 4.375845902e+04 0.80 3.229084944e+04 0.82 2.400767438e+04 0.84 1.797696259e+04 0.86 1.355288062e+04 0.88 1.028393890e+04 0.90 7.851860199e+03 0.92 6.030478247e+03 0.94 4.657851054e+03 0.96 3.617175210e+03 0.98 2.823614664e+03 1.00 2.215138650e+03 1.02 1.746099736e+03 1.04 1.382699529e+03 1.06 1.099764696e+03 1.08 8.784391704e+02 1.10 7.045214801e+02 1.12 5.672593804e+02 1.14 4.584707725e+02 1.16 3.718988766e+02 1.18 3.027365976e+02 1.20 2.472738069e+02 1.22 2.026344160e+02 1.24 1.665794032e+02 1.26 1.373585344e+02 1.28 1.135982175e+02 1.30 9.421630202e+01 1.32 7.835706450e+01 1.34 6.534138835e+01 1.36 5.462842886e+01 1.38 4.578599858e+01 1.40 3.846760081e+01 1.42 3.239455197e+01 1.44 2.734201458e+01 1.46 2.312804680e+01 1.48 1.960498766e+01 1.50 1.665265696e+01 1.52 1.417297034e+01 1.54 1.208566143e+01 1.56 1.032487310e+01 1.58 8.836433071e+00 1.60 7.575670172e+00 1.62 6.505659027e+00 1.64 5.595805141e+00 1.66 4.820701370e+00 1.68 4.159201263e+00 1.70 3.593666235e+00 1.72 3.109352433e+00 1.74 2.693910154e+00 1.76 2.336974186e+00 1.78 2.029827780e+00 1.80 1.765126388e+00 1.82 1.536670038e+00 1.84 1.339215384e+00 1.86 1.168320168e+00 1.88 1.020214268e+00 1.90 8.916925384e-01 1.92 7.800256163e-01 1.94 6.828855123e-01 1.96 5.982834339e-01 1.98 5.245177279e-01 2.00 4.601302171e-01 2.02 4.038695141e-01 2.04 3.546601418e-01 2.06 3.115765002e-01 2.08 2.738208795e-01 2.10 2.407048627e-01 2.12 2.116335687e-01 2.14 1.860922820e-01 2.16 1.636350898e-01 2.18 1.438752107e-01 2.20 1.264767512e-01 2.22 1.111476685e-01 2.24 9.763375634e-02 2.26 8.571349517e-02 2.28 7.519363947e-02 2.30 6.590542965e-02 2.32 5.770133666e-02 2.34 5.045226083e-02 2.36 4.404511827e-02 2.38 3.838075897e-02 2.40 3.337216853e-02 2.42 2.894291334e-02 2.44 2.502579451e-02 2.46 2.156168118e-02 2.48 1.849849838e-02 2.50 1.579034773e-02 2.52 1.339674300e-02 2.54 1.128194457e-02 2.56 9.414379652e-03 2.58 7.766136454e-03 2.60 6.312522651e-03 2.62 5.031679449e-03 2.64 3.904244004e-03 2.66 2.913053831e-03 2.68 2.042887750e-03 2.70 1.280238649e-03 2.72 6.131139848e-04 2.74 3.086047043e-05 2.76 -4.759900942e-04 2.78 -9.158565250e-04 2.80 -1.296227792e-03 2.82 -1.623768405e-03 2.84 -1.904411390e-03 2.86 -2.143440388e-03 2.88 -2.345562193e-03 2.90 -2.514970897e-03 2.92 -2.655404651e-03 2.94 -2.770195921e-03 2.96 -2.862316030e-03 2.98 -2.934414640e-03 3.00 -2.988854795e-03 3.02 -3.027744020e-03 3.04 -3.052961963e-03 3.06 -3.066184949e-03 3.08 -3.068907832e-03 3.10 -3.062463438e-03 3.12 -3.048039869e-03 3.14 -3.026695931e-03 3.16 -2.999374878e-03 3.18 -2.966916670e-03 3.20 -2.930068908e-03 3.22 -2.889496600e-03 3.24 -2.845790880e-03 3.26 -2.799476792e-03 3.28 -2.751020257e-03 3.30 -2.700834296e-03 3.32 -2.649284596e-03 3.34 -2.596694495e-03 3.36 -2.543349441e-03 3.38 -2.489500983e-03 3.40 -2.435370350e-03 3.42 -2.381151652e-03 3.44 -2.327014754e-03 3.46 -2.273107849e-03 3.48 -2.219559763e-03 3.50 -2.166482028e-03 3.52 -2.113970734e-03 3.54 -2.062108196e-03 3.56 -2.010964443e-03 3.58 -1.960598565e-03 3.60 -1.911059905e-03 3.62 -1.862389146e-03 3.64 -1.814619273e-03 3.66 -1.767776445e-03 3.68 -1.721880767e-03 3.70 -1.676946997e-03 3.72 -1.632985167e-03 3.74 -1.590001144e-03 3.76 -1.547997137e-03 3.78 -1.506972146e-03 3.80 -1.466922365e-03 3.82 -1.427841547e-03 3.84 -1.389721327e-03 3.86 -1.352551509e-03 3.88 -1.316320328e-03 3.90 -1.281014680e-03 3.92 -1.246620332e-03 3.94 -1.213122099e-03 3.96 -1.180504016e-03 3.98 -1.148749477e-03 4.00 -1.117841372e-03 4.02 -1.087762195e-03 4.04 -1.058494153e-03 4.06 -1.030019248e-03 4.08 -1.002319366e-03 4.10 -9.753763396e-04 4.12 -9.491720136e-04 4.14 -9.236882971e-04 4.16 -8.989072114e-04 4.18 -8.748109307e-04 4.20 -8.513818170e-04 4.22 -8.286024509e-04 4.24 -8.064556572e-04 4.26 -7.849245271e-04 4.28 -7.639924367e-04 4.30 -7.436430619e-04 4.32 -7.238603912e-04 4.34 -7.046287357e-04 4.36 -6.859327364e-04 4.38 -6.677573705e-04 4.40 -6.500879550e-04 4.42 -6.329101494e-04 4.44 -6.162099568e-04 4.46 -5.999737237e-04 4.48 -5.841881390e-04 4.50 -5.688402316e-04 4.52 -5.539173682e-04 4.54 -5.394072491e-04 4.56 -5.252979044e-04 4.58 -5.115776895e-04 4.60 -4.982352795e-04 4.62 -4.852596644e-04 4.64 -4.726401428e-04 4.66 -4.603663164e-04 4.68 -4.484280835e-04 4.70 -4.368156326e-04 4.72 -4.255194365e-04 4.74 -4.145302450e-04 4.76 -4.038390790e-04 4.78 -3.934372234e-04 4.80 -3.833162208e-04 4.82 -3.734678649e-04 4.84 -3.638841937e-04 4.86 -3.545574833e-04 4.88 -3.454802413e-04 4.90 -3.366452006e-04 4.92 -3.280453131e-04 4.94 -3.196737433e-04 4.96 -3.115238628e-04 4.98 -3.035892436e-04 5.00 -2.958636531e-04 5.02 -2.883410478e-04 5.04 -2.810155679e-04 5.06 -2.738815320e-04 5.08 -2.669334315e-04 5.10 -2.601659256e-04 5.12 -2.535738362e-04 5.14 -2.471521429e-04 5.16 -2.408959781e-04 5.18 -2.348006227e-04 5.20 -2.288615011e-04 5.22 -2.230741768e-04 5.24 -2.174343484e-04 5.26 -2.119378454e-04 5.28 -2.065806236e-04 5.30 -2.013587617e-04 5.32 -1.962684573e-04 5.34 -1.913060231e-04 5.36 -1.864678835e-04 5.38 -1.817505707e-04 5.40 -1.771507218e-04 5.42 -1.726650751e-04 5.44 -1.682904671e-04 5.46 -1.640238295e-04 5.48 -1.598621858e-04 5.50 -1.558026490e-04 5.52 -1.518424183e-04 5.54 -1.479787766e-04 5.56 -1.442090877e-04 5.58 -1.405307939e-04 5.60 -1.369414137e-04 5.62 -1.334385389e-04 5.64 -1.300198328e-04 5.66 -1.266830274e-04 5.68 -1.234259220e-04 5.70 -1.202463803e-04 5.72 -1.171423290e-04 5.74 -1.141117553e-04 5.76 -1.111527055e-04 5.78 -1.082632828e-04 5.80 -1.054416457e-04 5.82 -1.026860060e-04 5.84 -9.999462771e-05 5.86 -9.736582474e-05 5.88 -9.479795985e-05 5.90 -9.228944288e-05 5.92 -8.983872941e-05 5.94 -8.744431926e-05 5.96 -8.510475521e-05 5.98 -8.281862157e-05 6.00 -8.058454301e-05 6.02 -7.840118324e-05 6.04 -7.626724384e-05 6.06 -7.418146311e-05 6.08 -7.214261491e-05 6.10 -7.014950762e-05 6.12 -6.820098306e-05 6.14 -6.629591549e-05 6.16 -6.443321058e-05 6.18 -6.261180452e-05 6.20 -6.083066307e-05 6.22 -5.908878065e-05 6.24 -5.738517950e-05 6.26 -5.571890885e-05 6.28 -5.408904406e-05 6.30 -5.249468592e-05 6.32 -5.093495980e-05 6.34 -4.940901499e-05 6.36 -4.791602396e-05 6.38 -4.645518164e-05 6.40 -4.502570482e-05 6.42 -4.362683146e-05 6.44 -4.225782006e-05 6.46 -4.091794908e-05 6.48 -3.960651636e-05 6.50 -3.832283850e-05 6.52 -3.706625038e-05 6.54 -3.583610458e-05 6.56 -3.463177089e-05 6.58 -3.345263577e-05 6.60 -3.229810193e-05 6.62 -3.116758780e-05 6.64 -3.006052713e-05 6.66 -2.897636850e-05 6.68 -2.791457492e-05 6.70 -2.687462341e-05 6.72 -2.585600462e-05 6.74 -2.485822239e-05 6.76 -2.388079345e-05 6.78 -2.292324699e-05 6.80 -2.198512431e-05 6.82 -2.106597853e-05 6.84 -2.016537422e-05 6.86 -1.928288707e-05 6.88 -1.841810358e-05 6.90 -1.757062081e-05 6.92 -1.674004599e-05 6.94 -1.592599634e-05 6.96 -1.512809870e-05 6.98 -1.434598932e-05 7.00 -1.357931361e-05 7.02 -1.282772583e-05 7.04 -1.209088889e-05 7.06 -1.136847410e-05 7.08 -1.066016095e-05 7.10 -9.965636871e-06 7.12 -9.284597020e-06 7.14 -8.616744083e-06 7.16 -7.961788062e-06 7.18 -7.319446076e-06 7.20 -6.689442171e-06 7.22 -6.071507133e-06 7.24 -5.465378307e-06 7.26 -4.870799421e-06 7.28 -4.287520416e-06 7.30 -3.715297278e-06 7.32 -3.153891880e-06 7.34 -2.603071823e-06 7.36 -2.062610287e-06 7.38 -1.532285881e-06 7.40 -1.011882499e-06 7.42 -5.011891870e-07 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