# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1959--Girifalco-L-A-Weizer-V-G--Ba # implementation = Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ba__MO_676977998912_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 Ba Ba 0.02 1.510565932e+02 0.04 1.470157811e+02 0.06 1.430813791e+02 0.08 1.392506063e+02 0.10 1.355207543e+02 0.12 1.318891850e+02 0.14 1.283533292e+02 0.16 1.249106844e+02 0.18 1.215588136e+02 0.20 1.182953429e+02 0.22 1.151179604e+02 0.24 1.120244145e+02 0.26 1.090125119e+02 0.28 1.060801169e+02 0.30 1.032251491e+02 0.32 1.004455824e+02 0.34 9.773944352e+01 0.36 9.510481048e+01 0.38 9.253981149e+01 0.40 9.004262348e+01 0.42 8.761147091e+01 0.44 8.524462448e+01 0.46 8.294039999e+01 0.48 8.069715711e+01 0.50 7.851329829e+01 0.52 7.638726761e+01 0.54 7.431754970e+01 0.56 7.230266871e+01 0.58 7.034118727e+01 0.60 6.843170547e+01 0.62 6.657285994e+01 0.64 6.476332282e+01 0.66 6.300180090e+01 0.68 6.128703471e+01 0.70 5.961779761e+01 0.72 5.799289496e+01 0.74 5.641116331e+01 0.76 5.487146953e+01 0.78 5.337271007e+01 0.80 5.191381017e+01 0.82 5.049372313e+01 0.84 4.911142956e+01 0.86 4.776593666e+01 0.88 4.645627756e+01 0.90 4.518151063e+01 0.92 4.394071881e+01 0.94 4.273300900e+01 0.96 4.155751141e+01 0.98 4.041337895e+01 1.00 3.929978668e+01 1.02 3.821593119e+01 1.04 3.716103005e+01 1.06 3.613432129e+01 1.08 3.513506281e+01 1.10 3.416253194e+01 1.12 3.321602487e+01 1.14 3.229485620e+01 1.16 3.139835841e+01 1.18 3.052588146e+01 1.20 2.967679230e+01 1.22 2.885047442e+01 1.24 2.804632742e+01 1.26 2.726376662e+01 1.28 2.650222263e+01 1.30 2.576114094e+01 1.32 2.503998155e+01 1.34 2.433821859e+01 1.36 2.365533994e+01 1.38 2.299084690e+01 1.40 2.234425379e+01 1.42 2.171508767e+01 1.44 2.110288797e+01 1.46 2.050720618e+01 1.48 1.992760553e+01 1.50 1.936366068e+01 1.52 1.881495744e+01 1.54 1.828109247e+01 1.56 1.776167300e+01 1.58 1.725631653e+01 1.60 1.676465061e+01 1.62 1.628631252e+01 1.64 1.582094908e+01 1.66 1.536821634e+01 1.68 1.492777939e+01 1.70 1.449931210e+01 1.72 1.408249686e+01 1.74 1.367702444e+01 1.76 1.328259369e+01 1.78 1.289891137e+01 1.80 1.252569194e+01 1.82 1.216265734e+01 1.84 1.180953684e+01 1.86 1.146606677e+01 1.88 1.113199043e+01 1.90 1.080705783e+01 1.92 1.049102557e+01 1.94 1.018365663e+01 1.96 9.884720221e+00 1.98 9.593991619e+00 2.00 9.311252009e+00 2.02 9.036288328e+00 2.04 8.768893117e+00 2.06 8.508864370e+00 2.08 8.256005399e+00 2.10 8.010124687e+00 2.12 7.771035760e+00 2.14 7.538557049e+00 2.16 7.312511768e+00 2.18 7.092727784e+00 2.20 6.879037498e+00 2.22 6.671277726e+00 2.24 6.469289584e+00 2.26 6.272918373e+00 2.28 6.082013474e+00 2.30 5.896428239e+00 2.32 5.716019884e+00 2.34 5.540649395e+00 2.36 5.370181424e+00 2.38 5.204484194e+00 2.40 5.043429407e+00 2.42 4.886892151e+00 2.44 4.734750814e+00 2.46 4.586886997e+00 2.48 4.443185426e+00 2.50 4.303533875e+00 2.52 4.167823087e+00 2.54 4.035946689e+00 2.56 3.907801125e+00 2.58 3.783285577e+00 2.60 3.662301895e+00 2.62 3.544754527e+00 2.64 3.430550451e+00 2.66 3.319599108e+00 2.68 3.211812339e+00 2.70 3.107104319e+00 2.72 3.005391501e+00 2.74 2.906592551e+00 2.76 2.810628293e+00 2.78 2.717421650e+00 2.80 2.626897593e+00 2.82 2.538983083e+00 2.84 2.453607022e+00 2.86 2.370700199e+00 2.88 2.290195243e+00 2.90 2.212026573e+00 2.92 2.136130355e+00 2.94 2.062444448e+00 2.96 1.990908368e+00 2.98 1.921463240e+00 3.00 1.854051756e+00 3.02 1.788618137e+00 3.04 1.725108086e+00 3.06 1.663468758e+00 3.08 1.603648715e+00 3.10 1.545597890e+00 3.12 1.489267555e+00 3.14 1.434610280e+00 3.16 1.381579905e+00 3.18 1.330131501e+00 3.20 1.280221340e+00 3.22 1.231806864e+00 3.24 1.184846654e+00 3.26 1.139300400e+00 3.28 1.095128869e+00 3.30 1.052293881e+00 3.32 1.010758279e+00 3.34 9.704859011e-01 3.36 9.314415569e-01 3.38 8.935909996e-01 3.40 8.569009020e-01 3.42 8.213388323e-01 3.44 7.868732302e-01 3.46 7.534733843e-01 3.48 7.211094091e-01 3.50 6.897522236e-01 3.52 6.593735301e-01 3.54 6.299457934e-01 3.56 6.014422203e-01 3.58 5.738367407e-01 3.60 5.471039878e-01 3.62 5.212192800e-01 3.64 4.961586025e-01 3.66 4.718985897e-01 3.68 4.484165081e-01 3.70 4.256902394e-01 3.72 4.036982644e-01 3.74 3.824196471e-01 3.76 3.618340191e-01 3.78 3.419215647e-01 3.80 3.226630062e-01 3.82 3.040395896e-01 3.84 2.860330707e-01 3.86 2.686257018e-01 3.88 2.518002182e-01 3.90 2.355398253e-01 3.92 2.198281868e-01 3.94 2.046494115e-01 3.96 1.899880425e-01 3.98 1.758290448e-01 4.00 1.621577946e-01 4.02 1.489600682e-01 4.04 1.362220313e-01 4.06 1.239302288e-01 4.08 1.120715745e-01 4.10 1.006333413e-01 4.12 8.960315182e-02 4.14 7.896896879e-02 4.16 6.871908623e-02 4.18 5.884212049e-02 4.20 4.932700164e-02 4.22 4.016296514e-02 4.24 3.133954362e-02 4.26 2.284655901e-02 4.28 1.467411473e-02 4.30 6.812588237e-03 4.32 -7.473763881e-04 4.34 -8.014875519e-03 4.36 -1.499875296e-02 4.38 -2.170760672e-02 4.40 -2.814979557e-02 4.42 -3.433344551e-02 4.44 -4.026645597e-02 4.46 -4.595650592e-02 4.48 -5.141105978e-02 4.50 -5.663737319e-02 4.52 -6.164249860e-02 4.54 -6.643329080e-02 4.56 -7.101641214e-02 4.58 -7.539833782e-02 4.60 -7.958536085e-02 4.62 -8.358359700e-02 4.64 -8.739898956e-02 4.66 -9.103731403e-02 4.68 -9.450418261e-02 4.70 -9.780504862e-02 4.72 -1.009452108e-01 4.74 -1.039298175e-01 4.76 -1.067638708e-01 4.78 -1.094522304e-01 4.80 -1.119996173e-01 4.82 -1.144106179e-01 4.84 -1.166896877e-01 4.86 -1.188411543e-01 4.88 -1.208692214e-01 4.90 -1.227779720e-01 4.92 -1.245713718e-01 4.94 -1.262532720e-01 4.96 -1.278274128e-01 4.98 -1.292974265e-01 5.00 -1.306668401e-01 5.02 -1.319390782e-01 5.04 -1.331174662e-01 5.06 -1.342052327e-01 5.08 -1.352055119e-01 5.10 -1.361213469e-01 5.12 -1.369556914e-01 5.14 -1.377114128e-01 5.16 -1.383912941e-01 5.18 -1.389980365e-01 5.20 -1.395342616e-01 5.22 -1.400025134e-01 5.24 -1.404052608e-01 5.26 -1.407448991e-01 5.28 -1.410237528e-01 5.30 -1.412440768e-01 5.32 -1.414080588e-01 5.34 -1.415178211e-01 5.36 -1.415754222e-01 5.38 -1.415828588e-01 5.40 -1.415420672e-01 5.42 -1.414549253e-01 5.44 -1.413232543e-01 5.46 -1.411488199e-01 5.48 -1.409333340e-01 5.50 -1.406784562e-01 5.52 -1.403857954e-01 5.54 -1.400569112e-01 5.56 -1.396933150e-01 5.58 -1.392964715e-01 5.60 -1.388678002e-01 5.62 -1.384086765e-01 5.64 -1.379204328e-01 5.66 -1.374043600e-01 5.68 -1.368617084e-01 5.70 -1.362936892e-01 5.72 -1.357014751e-01 5.74 -1.350862018e-01 5.76 -1.344489690e-01 5.78 -1.337908411e-01 5.80 -1.331128486e-01 5.82 -1.324159888e-01 5.84 -1.317012271e-01 5.86 -1.309694972e-01 5.88 -1.302217028e-01 5.90 -1.294587181e-01 5.92 -1.286813884e-01 5.94 -1.278905314e-01 5.96 -1.270869378e-01 5.98 -1.262713718e-01 6.00 -1.254445724e-01 6.02 -1.246072538e-01 6.04 -1.237601059e-01 6.06 -1.229037955e-01 6.08 -1.220389668e-01 6.10 -1.211662417e-01 6.12 -1.202862209e-01 6.14 -1.193994845e-01 6.16 -1.185065921e-01 6.18 -1.176080840e-01 6.20 -1.167044816e-01 6.22 -1.157962876e-01 6.24 -1.148839870e-01 6.26 -1.139680474e-01 6.28 -1.130489196e-01 6.30 -1.121270380e-01 6.32 -1.112028211e-01 6.34 -1.102766722e-01 6.36 -1.093489794e-01 6.38 -1.084201166e-01 6.40 -1.074904434e-01 6.42 -1.065603060e-01 6.44 -1.056300372e-01 6.46 -1.046999570e-01 6.48 -1.037703731e-01 6.50 -1.028415809e-01 6.52 -1.019138645e-01 6.54 -1.009874961e-01 6.56 -1.000627375e-01 6.58 -9.913983952e-02 6.60 -9.821904264e-02 6.62 -9.730057744e-02 6.64 -9.638466477e-02 6.66 -9.547151605e-02 6.68 -9.456133364e-02 6.70 -9.365431103e-02 6.72 -9.275063319e-02 6.74 -9.185047678e-02 6.76 -9.095401048e-02 6.78 -9.006139516e-02 6.80 -8.917278420e-02 6.82 -8.828832367e-02 6.84 -8.740815261e-02 6.86 -8.653240321e-02 6.88 -8.566120109e-02 6.90 -8.479466543e-02 6.92 -8.393290926e-02 6.94 -8.307603960e-02 6.96 -8.222415770e-02 6.98 -8.137735919e-02 7.00 -8.053573428e-02 7.02 -7.969936796e-02 7.04 -7.886834015e-02 7.06 -7.804272586e-02 7.08 -7.722259537e-02 7.10 -7.640801440e-02 7.12 -7.559904425e-02 7.14 -7.479574194e-02 7.16 -7.399816036e-02 7.18 -7.320634845e-02 7.20 -7.242035128e-02 7.22 -7.164021020e-02 7.24 -7.086596301e-02 7.26 -7.009764404e-02 7.28 -6.933528427e-02 7.30 -6.857891149e-02 7.32 -6.782855036e-02 7.34 -6.708422259e-02 7.36 -6.634594698e-02 7.38 -6.561373955e-02 7.40 -6.488761367e-02 7.42 -6.416758011e-02 7.44 -6.345364718e-02 7.46 -6.274582080e-02 7.48 -6.204410458e-02 7.50 -6.134849994e-02 7.52 -6.065900616e-02 7.54 -5.997562049e-02 7.56 -5.929833821e-02 7.58 -5.862715272e-02 7.60 -5.796205562e-02 7.62 -5.730303676e-02 7.64 -5.665008432e-02 7.66 -5.600318491e-02 7.68 -5.536232357e-02 7.70 -5.472748390e-02 7.72 -5.409864810e-02 7.74 -5.347579701e-02 7.76 -5.285891017e-02 7.78 -5.224796594e-02 7.80 -5.164294145e-02 7.82 -5.104381275e-02 7.84 -5.045055479e-02 7.86 -4.986314153e-02 7.88 -4.928154593e-02 7.90 -4.870574004e-02 7.92 -4.813569504e-02 7.94 -4.757138124e-02 7.96 -4.701276819e-02 7.98 -4.645982467e-02 8.00 -4.591251876e-02 8.02 -4.537081786e-02 8.04 -4.483468871e-02 8.06 -4.430409749e-02 8.08 -4.377900978e-02 8.10 -4.325939064e-02 8.12 -4.274520463e-02 8.14 -4.223641583e-02 8.16 -4.173298789e-02 8.18 -4.123488406e-02 8.20 -4.074206719e-02 8.22 -4.025449977e-02 8.24 -3.977214399e-02 8.26 -3.929496172e-02 8.28 -3.882291454e-02 8.30 -3.835596381e-02 8.32 -3.789407063e-02 8.34 -3.743719589e-02 8.36 -3.698530032e-02 8.38 -3.653834445e-02 8.40 -3.609628868e-02 8.42 -3.565909328e-02 8.44 -3.522671841e-02 8.46 -3.479912413e-02 8.48 -3.437627045e-02 8.50 -3.395811728e-02 8.52 -3.354462452e-02 8.54 -3.313575204e-02 8.56 -3.273145968e-02 8.58 -3.233170730e-02 8.60 -3.193645475e-02 8.62 -3.154566194e-02 8.64 -3.115928880e-02 8.66 -3.077729530e-02 8.68 -3.039964151e-02 8.70 -3.002628755e-02 8.72 -2.965719363e-02 8.74 -2.929232005e-02 8.76 -2.893162722e-02 8.78 -2.857507567e-02 8.80 -2.822262606e-02 8.82 -2.787423915e-02 8.84 -2.752987588e-02 8.86 -2.718949730e-02 8.88 -2.685306466e-02 8.90 -2.652053934e-02 8.92 -2.619188289e-02 8.94 -2.586705705e-02 8.96 -2.554602374e-02 8.98 -2.522874505e-02 9.00 -2.491518330e-02 9.02 -2.460530096e-02 9.04 -2.429906075e-02 9.06 -2.399642557e-02 9.08 -2.369735855e-02 9.10 -2.340182302e-02 9.12 -2.310978254e-02 9.14 -2.282120091e-02 9.16 -2.253604213e-02 9.18 -2.225427045e-02 9.20 -2.197585035e-02 9.22 -2.170074655e-02 9.24 -2.142892402e-02 9.26 -2.116034796e-02 9.28 -2.089498381e-02 9.30 -2.063279727e-02 9.32 -2.037375430e-02 9.34 -2.011782109e-02 9.36 -1.986496410e-02 9.38 -1.961515002e-02 9.40 -1.936834584e-02 9.42 -1.912451877e-02 9.44 -1.888363629e-02 9.46 -1.864566614e-02 9.48 -1.841057633e-02 9.50 -1.817833512e-02 9.52 -1.794891104e-02 9.54 -1.772227287e-02 9.56 -1.749838967e-02 9.58 -1.727723075e-02 9.60 -1.705876569e-02 9.62 -1.684296434e-02 9.64 -1.662979680e-02 9.66 -1.641923344e-02 9.68 -1.621124490e-02 9.70 -1.600580207e-02 9.72 -1.580287612e-02 9.74 -1.560243846e-02 9.76 -1.540446078e-02 9.78 -1.520891503e-02 9.80 -1.501577341e-02 9.82 -1.482500840e-02 9.84 -1.463659271e-02 9.86 -1.445049934e-02 9.88 -1.426670153e-02 9.90 -1.408517278e-02 9.92 -1.390588685e-02 9.94 -1.372881774e-02 9.96 -1.355393973e-02 9.98 -1.338122733e-02 10.00 -1.321065531e-02