# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1959--Girifalco-L-A-Weizer-V-G--Ba # implementation = Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ba__MO_143487634619_003 # 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 Ba Ba 0.02 1.510579950e+02 0.04 1.470171830e+02 0.06 1.430827810e+02 0.08 1.392520082e+02 0.10 1.355221562e+02 0.12 1.318905869e+02 0.14 1.283547310e+02 0.16 1.249120863e+02 0.18 1.215602155e+02 0.20 1.182967448e+02 0.22 1.151193623e+02 0.24 1.120258163e+02 0.26 1.090139138e+02 0.28 1.060815188e+02 0.30 1.032265510e+02 0.32 1.004469843e+02 0.34 9.774084539e+01 0.36 9.510621236e+01 0.38 9.254121336e+01 0.40 9.004402536e+01 0.42 8.761287278e+01 0.44 8.524602635e+01 0.46 8.294180186e+01 0.48 8.069855899e+01 0.50 7.851470016e+01 0.52 7.638866948e+01 0.54 7.431895157e+01 0.56 7.230407058e+01 0.58 7.034258914e+01 0.60 6.843310735e+01 0.62 6.657426181e+01 0.64 6.476472469e+01 0.66 6.300320277e+01 0.68 6.128843658e+01 0.70 5.961919948e+01 0.72 5.799429684e+01 0.74 5.641256518e+01 0.76 5.487287140e+01 0.78 5.337411194e+01 0.80 5.191521205e+01 0.82 5.049512501e+01 0.84 4.911283143e+01 0.86 4.776733853e+01 0.88 4.645767943e+01 0.90 4.518291250e+01 0.92 4.394212068e+01 0.94 4.273441087e+01 0.96 4.155891328e+01 0.98 4.041478083e+01 1.00 3.930118856e+01 1.02 3.821733307e+01 1.04 3.716243193e+01 1.06 3.613572316e+01 1.08 3.513646469e+01 1.10 3.416393382e+01 1.12 3.321742675e+01 1.14 3.229625807e+01 1.16 3.139976028e+01 1.18 3.052728334e+01 1.20 2.967819417e+01 1.22 2.885187629e+01 1.24 2.804772929e+01 1.26 2.726516850e+01 1.28 2.650362451e+01 1.30 2.576254282e+01 1.32 2.504138343e+01 1.34 2.433962046e+01 1.36 2.365674182e+01 1.38 2.299224877e+01 1.40 2.234565566e+01 1.42 2.171648955e+01 1.44 2.110428985e+01 1.46 2.050860805e+01 1.48 1.992900740e+01 1.50 1.936506255e+01 1.52 1.881635931e+01 1.54 1.828249435e+01 1.56 1.776307487e+01 1.58 1.725771841e+01 1.60 1.676605248e+01 1.62 1.628771439e+01 1.64 1.582235095e+01 1.66 1.536961822e+01 1.68 1.492918127e+01 1.70 1.450071397e+01 1.72 1.408389874e+01 1.74 1.367842631e+01 1.76 1.328399556e+01 1.78 1.290031324e+01 1.80 1.252709381e+01 1.82 1.216405922e+01 1.84 1.181093871e+01 1.86 1.146746864e+01 1.88 1.113339230e+01 1.90 1.080845971e+01 1.92 1.049242745e+01 1.94 1.018505850e+01 1.96 9.886122094e+00 1.98 9.595393492e+00 2.00 9.312653882e+00 2.02 9.037690201e+00 2.04 8.770294990e+00 2.06 8.510266243e+00 2.08 8.257407272e+00 2.10 8.011526560e+00 2.12 7.772437633e+00 2.14 7.539958922e+00 2.16 7.313913641e+00 2.18 7.094129657e+00 2.20 6.880439371e+00 2.22 6.672679599e+00 2.24 6.470691457e+00 2.26 6.274320246e+00 2.28 6.083415348e+00 2.30 5.897830112e+00 2.32 5.717421757e+00 2.34 5.542051268e+00 2.36 5.371583297e+00 2.38 5.205886067e+00 2.40 5.044831280e+00 2.42 4.888294024e+00 2.44 4.736152687e+00 2.46 4.588288870e+00 2.48 4.444587299e+00 2.50 4.304935748e+00 2.52 4.169224960e+00 2.54 4.037348562e+00 2.56 3.909202998e+00 2.58 3.784687450e+00 2.60 3.663703768e+00 2.62 3.546156400e+00 2.64 3.431952324e+00 2.66 3.321000981e+00 2.68 3.213214212e+00 2.70 3.108506192e+00 2.72 3.006793374e+00 2.74 2.907994424e+00 2.76 2.812030166e+00 2.78 2.718823523e+00 2.80 2.628299466e+00 2.82 2.540384956e+00 2.84 2.455008895e+00 2.86 2.372102072e+00 2.88 2.291597116e+00 2.90 2.213428446e+00 2.92 2.137532228e+00 2.94 2.063846321e+00 2.96 1.992310241e+00 2.98 1.922865113e+00 3.00 1.855453629e+00 3.02 1.790020010e+00 3.04 1.726509959e+00 3.06 1.664870631e+00 3.08 1.605050588e+00 3.10 1.546999763e+00 3.12 1.490669428e+00 3.14 1.436012153e+00 3.16 1.382981778e+00 3.18 1.331533374e+00 3.20 1.281623213e+00 3.22 1.233208737e+00 3.24 1.186248528e+00 3.26 1.140702273e+00 3.28 1.096530742e+00 3.30 1.053695754e+00 3.32 1.012160152e+00 3.34 9.718877742e-01 3.36 9.328434300e-01 3.38 8.949928726e-01 3.40 8.583027750e-01 3.42 8.227407053e-01 3.44 7.882751033e-01 3.46 7.548752574e-01 3.48 7.225112821e-01 3.50 6.911540967e-01 3.52 6.607754032e-01 3.54 6.313476664e-01 3.56 6.028440934e-01 3.58 5.752386137e-01 3.60 5.485058609e-01 3.62 5.226211531e-01 3.64 4.975604756e-01 3.66 4.733004628e-01 3.68 4.498183811e-01 3.70 4.270921124e-01 3.72 4.051001375e-01 3.74 3.838215202e-01 3.76 3.632358922e-01 3.78 3.433234378e-01 3.80 3.240648793e-01 3.82 3.054414626e-01 3.84 2.874349438e-01 3.86 2.700275749e-01 3.88 2.532020912e-01 3.90 2.369416984e-01 3.92 2.212300598e-01 3.94 2.060512846e-01 3.96 1.913899155e-01 3.98 1.772309178e-01 4.00 1.635596676e-01 4.02 1.503619412e-01 4.04 1.376239044e-01 4.06 1.253321019e-01 4.08 1.134734476e-01 4.10 1.020352144e-01 4.12 9.100502489e-02 4.14 8.037084185e-02 4.16 7.012095930e-02 4.18 6.024399355e-02 4.20 5.072887471e-02 4.22 4.156483820e-02 4.24 3.274141668e-02 4.26 2.424843207e-02 4.28 1.607598780e-02 4.30 8.214461300e-03 4.32 6.544966753e-04 4.34 -6.613002456e-03 4.36 -1.359687990e-02 4.38 -2.030573365e-02 4.40 -2.674792251e-02 4.42 -3.293157245e-02 4.44 -3.886458291e-02 4.46 -4.455463286e-02 4.48 -5.000918672e-02 4.50 -5.523550012e-02 4.52 -6.024062554e-02 4.54 -6.503141773e-02 4.56 -6.961453908e-02 4.58 -7.399646476e-02 4.60 -7.818348778e-02 4.62 -8.218172393e-02 4.64 -8.599711650e-02 4.66 -8.963544097e-02 4.68 -9.310230955e-02 4.70 -9.640317556e-02 4.72 -9.954333775e-02 4.74 -1.025279445e-01 4.76 -1.053619978e-01 4.78 -1.080503573e-01 4.80 -1.105977442e-01 4.82 -1.130087449e-01 4.84 -1.152878146e-01 4.86 -1.174392812e-01 4.88 -1.194673483e-01 4.90 -1.213760990e-01 4.92 -1.231694987e-01 4.94 -1.248513989e-01 4.96 -1.264255398e-01 4.98 -1.278955535e-01 5.00 -1.292649670e-01 5.02 -1.305372051e-01 5.04 -1.317155932e-01 5.06 -1.328033596e-01 5.08 -1.338036388e-01 5.10 -1.347194738e-01 5.12 -1.355538183e-01 5.14 -1.363095397e-01 5.16 -1.369894210e-01 5.18 -1.375961635e-01 5.20 -1.381323886e-01 5.22 -1.386006404e-01 5.24 -1.390033877e-01 5.26 -1.393430260e-01 5.28 -1.396218797e-01 5.30 -1.398422037e-01 5.32 -1.400061858e-01 5.34 -1.401159481e-01 5.36 -1.401735492e-01 5.38 -1.401809857e-01 5.40 -1.401401941e-01 5.42 -1.400530523e-01 5.44 -1.399213813e-01 5.46 -1.397469468e-01 5.48 -1.395314609e-01 5.50 -1.392765831e-01 5.52 -1.389839224e-01 5.54 -1.386550382e-01 5.56 -1.382914419e-01 5.58 -1.378945984e-01 5.60 -1.374659272e-01 5.62 -1.370068034e-01 5.64 -1.365185597e-01 5.66 -1.360024869e-01 5.68 -1.354598354e-01 5.70 -1.348918161e-01 5.72 -1.342996020e-01 5.74 -1.336843288e-01 5.76 -1.330470959e-01 5.78 -1.323889680e-01 5.80 -1.317109755e-01 5.82 -1.310141158e-01 5.84 -1.302993540e-01 5.86 -1.295676241e-01 5.88 -1.288198298e-01 5.90 -1.280568450e-01 5.92 -1.272795153e-01 5.94 -1.264886583e-01 5.96 -1.256850647e-01 5.98 -1.248694987e-01 6.00 -1.240426994e-01 6.02 -1.232053807e-01 6.04 -1.223582328e-01 6.06 -1.215019225e-01 6.08 -1.206370937e-01 6.10 -1.197643686e-01 6.12 -1.188843479e-01 6.14 -1.179976114e-01 6.16 -1.171047190e-01 6.18 -1.162062110e-01 6.20 -1.153026085e-01 6.22 -1.143944145e-01 6.24 -1.134821139e-01 6.26 -1.125661743e-01 6.28 -1.116470465e-01 6.30 -1.107251649e-01 6.32 -1.098009480e-01 6.34 -1.088747991e-01 6.36 -1.079471063e-01 6.38 -1.070182435e-01 6.40 -1.060885704e-01 6.42 -1.051584330e-01 6.44 -1.042281641e-01 6.46 -1.032980840e-01 6.48 -1.023685000e-01 6.50 -1.014397079e-01 6.52 -1.005119914e-01 6.54 -9.958562308e-02 6.56 -9.866086447e-02 6.58 -9.773796646e-02 6.60 -9.681716958e-02 6.62 -9.589870438e-02 6.64 -9.498279170e-02 6.66 -9.406964299e-02 6.68 -9.315946058e-02 6.70 -9.225243797e-02 6.72 -9.134876012e-02 6.74 -9.044860372e-02 6.76 -8.955213742e-02 6.78 -8.865952210e-02 6.80 -8.777091114e-02 6.82 -8.688645061e-02 6.84 -8.600627954e-02 6.86 -8.513053015e-02 6.88 -8.425932802e-02 6.90 -8.339279237e-02 6.92 -8.253103619e-02 6.94 -8.167416654e-02 6.96 -8.082228464e-02 6.98 -7.997548612e-02 7.00 -7.913386122e-02 7.02 -7.829749490e-02 7.04 -7.746646709e-02 7.06 -7.664085279e-02 7.08 -7.582072231e-02 7.10 -7.500614134e-02 7.12 -7.419717119e-02 7.14 -7.339386887e-02 7.16 -7.259628730e-02 7.18 -7.180447539e-02 7.20 -7.101847821e-02 7.22 -7.023833714e-02 7.24 -6.946408995e-02 7.26 -6.869577098e-02 7.28 -6.793341121e-02 7.30 -6.717703842e-02 7.32 -6.642667730e-02 7.34 -6.568234953e-02 7.36 -6.494407391e-02 7.38 -6.421186648e-02 7.40 -6.348574060e-02 7.42 -6.276570705e-02 7.44 -6.205177412e-02 7.46 -6.134394774e-02 7.48 -6.064223152e-02 7.50 -5.994662688e-02 7.52 -5.925713310e-02 7.54 -5.857374742e-02 7.56 -5.789646515e-02 7.58 -5.722527966e-02 7.60 -5.656018256e-02 7.62 -5.590116369e-02 7.64 -5.524821126e-02 7.66 -5.460131184e-02 7.68 -5.396045050e-02 7.70 -5.332561084e-02 7.72 -5.269677504e-02 7.74 -5.207392394e-02 7.76 -5.145703711e-02 7.78 -5.084609287e-02 7.80 -5.024106839e-02 7.82 -4.964193969e-02 7.84 -4.904868173e-02 7.86 -4.846126847e-02 7.88 -4.787967287e-02 7.90 -4.730386698e-02 7.92 -4.673382197e-02 7.94 -4.616950818e-02 7.96 -4.561089513e-02 7.98 -4.505795161e-02 8.00 -4.451064570e-02 8.02 -4.396894479e-02 8.04 -4.343281565e-02 8.06 -4.290222442e-02 8.08 -4.237713671e-02 8.10 -4.185751757e-02 8.12 -4.134333156e-02 8.14 -4.083454276e-02 8.16 -4.033111483e-02 8.18 -3.983301100e-02 8.20 -3.934019412e-02 8.22 -3.885262671e-02 8.24 -3.837027093e-02 8.26 -3.789308865e-02 8.28 -3.742104148e-02 8.30 -3.695409075e-02 8.32 -3.649219756e-02 8.34 -3.603532283e-02 8.36 -3.558342725e-02 8.38 -3.513647138e-02 8.40 -3.469441561e-02 8.42 -3.425722021e-02 8.44 -3.382484534e-02 8.46 -3.339725107e-02 8.48 -3.297439738e-02 8.50 -3.255624422e-02 8.52 -3.214275146e-02 8.54 -3.173387898e-02 8.56 -3.132958662e-02 8.58 -3.092983423e-02 8.60 -3.053458169e-02 8.62 -3.014378888e-02 8.64 -2.975741573e-02 8.66 -2.937542224e-02 8.68 -2.899776845e-02 8.70 -2.862441449e-02 8.72 -2.825532056e-02 8.74 -2.789044698e-02 8.76 -2.752975416e-02 8.78 -2.717320261e-02 8.80 -2.682075299e-02 8.82 -2.647236609e-02 8.84 -2.612800281e-02 8.86 -2.578762424e-02 8.88 -2.545119160e-02 8.90 -2.511866628e-02 8.92 -2.479000983e-02 8.94 -2.446518399e-02 8.96 -2.414415067e-02 8.98 -2.382687199e-02 9.00 -2.351331023e-02 9.02 -2.320342790e-02 9.04 -2.289718769e-02 9.06 -2.259455251e-02 9.08 -2.229548549e-02 9.10 -2.199994996e-02 9.12 -2.170790948e-02 9.14 -2.141932784e-02 9.16 -2.113416906e-02 9.18 -2.085239738e-02 9.20 -2.057397729e-02 9.22 -2.029887349e-02 9.24 -2.002705096e-02 9.26 -1.975847489e-02 9.28 -1.949311074e-02 9.30 -1.923092421e-02 9.32 -1.897188124e-02 9.34 -1.871594803e-02 9.36 -1.846309103e-02 9.38 -1.821327696e-02 9.40 -1.796647278e-02 9.42 -1.772264570e-02 9.44 -1.748176322e-02 9.46 -1.724379308e-02 9.48 -1.700870327e-02 9.50 -1.677646206e-02 9.52 -1.654703797e-02 9.54 -1.632039980e-02 9.56 -1.609651660e-02 9.58 -1.587535768e-02 9.60 -1.565689263e-02 9.62 -1.544109128e-02 9.64 -1.522792374e-02 9.66 -1.501736038e-02 9.68 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