# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1959--Girifalco-L-A-Weizer-V-G--Ba # implementation = Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ba__MO_229241184339_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 1.510567206e+02 0.04 1.470159085e+02 0.06 1.430815066e+02 0.08 1.392507338e+02 0.10 1.355208817e+02 0.12 1.318893124e+02 0.14 1.283534566e+02 0.16 1.249108119e+02 0.18 1.215589410e+02 0.20 1.182954703e+02 0.22 1.151180879e+02 0.24 1.120245419e+02 0.26 1.090126394e+02 0.28 1.060802444e+02 0.30 1.032252766e+02 0.32 1.004457099e+02 0.34 9.773957096e+01 0.36 9.510493792e+01 0.38 9.253993893e+01 0.40 9.004275092e+01 0.42 8.761159834e+01 0.44 8.524475192e+01 0.46 8.294052742e+01 0.48 8.069728455e+01 0.50 7.851342573e+01 0.52 7.638739504e+01 0.54 7.431767713e+01 0.56 7.230279614e+01 0.58 7.034131470e+01 0.60 6.843183291e+01 0.62 6.657298738e+01 0.64 6.476345025e+01 0.66 6.300192834e+01 0.68 6.128716215e+01 0.70 5.961792505e+01 0.72 5.799302240e+01 0.74 5.641129075e+01 0.76 5.487159696e+01 0.78 5.337283750e+01 0.80 5.191393761e+01 0.82 5.049385057e+01 0.84 4.911155700e+01 0.86 4.776606410e+01 0.88 4.645640500e+01 0.90 4.518163807e+01 0.92 4.394084625e+01 0.94 4.273313644e+01 0.96 4.155763884e+01 0.98 4.041350639e+01 1.00 3.929991412e+01 1.02 3.821605863e+01 1.04 3.716115749e+01 1.06 3.613444872e+01 1.08 3.513519025e+01 1.10 3.416265938e+01 1.12 3.321615231e+01 1.14 3.229498363e+01 1.16 3.139848585e+01 1.18 3.052600890e+01 1.20 2.967691974e+01 1.22 2.885060185e+01 1.24 2.804645486e+01 1.26 2.726389406e+01 1.28 2.650235007e+01 1.30 2.576126838e+01 1.32 2.504010899e+01 1.34 2.433834603e+01 1.36 2.365546738e+01 1.38 2.299097433e+01 1.40 2.234438123e+01 1.42 2.171521511e+01 1.44 2.110301541e+01 1.46 2.050733362e+01 1.48 1.992773296e+01 1.50 1.936378811e+01 1.52 1.881508488e+01 1.54 1.828121991e+01 1.56 1.776180044e+01 1.58 1.725644397e+01 1.60 1.676477805e+01 1.62 1.628643996e+01 1.64 1.582107652e+01 1.66 1.536834378e+01 1.68 1.492790683e+01 1.70 1.449943953e+01 1.72 1.408262430e+01 1.74 1.367715188e+01 1.76 1.328272113e+01 1.78 1.289903881e+01 1.80 1.252581938e+01 1.82 1.216278478e+01 1.84 1.180966427e+01 1.86 1.146619421e+01 1.88 1.113211787e+01 1.90 1.080718527e+01 1.92 1.049115301e+01 1.94 1.018378407e+01 1.96 9.884847659e+00 1.98 9.594119056e+00 2.00 9.311379446e+00 2.02 9.036415766e+00 2.04 8.769020554e+00 2.06 8.508991808e+00 2.08 8.256132837e+00 2.10 8.010252125e+00 2.12 7.771163197e+00 2.14 7.538684487e+00 2.16 7.312639206e+00 2.18 7.092855222e+00 2.20 6.879164936e+00 2.22 6.671405164e+00 2.24 6.469417022e+00 2.26 6.273045811e+00 2.28 6.082140912e+00 2.30 5.896555676e+00 2.32 5.716147322e+00 2.34 5.540776833e+00 2.36 5.370308862e+00 2.38 5.204611632e+00 2.40 5.043556844e+00 2.42 4.887019589e+00 2.44 4.734878252e+00 2.46 4.587014434e+00 2.48 4.443312863e+00 2.50 4.303661313e+00 2.52 4.167950524e+00 2.54 4.036074126e+00 2.56 3.907928562e+00 2.58 3.783413014e+00 2.60 3.662429332e+00 2.62 3.544881965e+00 2.64 3.430677888e+00 2.66 3.319726546e+00 2.68 3.211939776e+00 2.70 3.107231757e+00 2.72 3.005518939e+00 2.74 2.906719989e+00 2.76 2.810755730e+00 2.78 2.717549088e+00 2.80 2.627025031e+00 2.82 2.539110521e+00 2.84 2.453734459e+00 2.86 2.370827636e+00 2.88 2.290322680e+00 2.90 2.212154011e+00 2.92 2.136257792e+00 2.94 2.062571885e+00 2.96 1.991035805e+00 2.98 1.921590677e+00 3.00 1.854179194e+00 3.02 1.788745574e+00 3.04 1.725235524e+00 3.06 1.663596196e+00 3.08 1.603776152e+00 3.10 1.545725328e+00 3.12 1.489394992e+00 3.14 1.434737718e+00 3.16 1.381707343e+00 3.18 1.330258938e+00 3.20 1.280348777e+00 3.22 1.231934302e+00 3.24 1.184974092e+00 3.26 1.139427838e+00 3.28 1.095256307e+00 3.30 1.052421319e+00 3.32 1.010885716e+00 3.34 9.706133388e-01 3.36 9.315689946e-01 3.38 8.937184372e-01 3.40 8.570283396e-01 3.42 8.214662700e-01 3.44 7.870006679e-01 3.46 7.536008220e-01 3.48 7.212368467e-01 3.50 6.898796613e-01 3.52 6.595009678e-01 3.54 6.300732310e-01 3.56 6.015696580e-01 3.58 5.739641783e-01 3.60 5.472314255e-01 3.62 5.213467177e-01 3.64 4.962860402e-01 3.66 4.720260274e-01 3.68 4.485439457e-01 3.70 4.258176770e-01 3.72 4.038257021e-01 3.74 3.825470848e-01 3.76 3.619614568e-01 3.78 3.420490024e-01 3.80 3.227904439e-01 3.82 3.041670273e-01 3.84 2.861605084e-01 3.86 2.687531395e-01 3.88 2.519276558e-01 3.90 2.356672630e-01 3.92 2.199556244e-01 3.94 2.047768492e-01 3.96 1.901154801e-01 3.98 1.759564824e-01 4.00 1.622852322e-01 4.02 1.490875059e-01 4.04 1.363494690e-01 4.06 1.240576665e-01 4.08 1.121990122e-01 4.10 1.007607790e-01 4.12 8.973058950e-02 4.14 7.909640647e-02 4.16 6.884652391e-02 4.18 5.896955817e-02 4.20 4.945443932e-02 4.22 4.029040281e-02 4.24 3.146698130e-02 4.26 2.297399668e-02 4.28 1.480155241e-02 4.30 6.940025913e-03 4.32 -6.199387120e-04 4.34 -7.887437843e-03 4.36 -1.487131528e-02 4.38 -2.158016904e-02 4.40 -2.802235789e-02 4.42 -3.420600783e-02 4.44 -4.013901830e-02 4.46 -4.582906825e-02 4.48 -5.128362211e-02 4.50 -5.650993551e-02 4.52 -6.151506093e-02 4.54 -6.630585312e-02 4.56 -7.088897447e-02 4.58 -7.527090014e-02 4.60 -7.945792317e-02 4.62 -8.345615932e-02 4.64 -8.727155189e-02 4.66 -9.090987636e-02 4.68 -9.437674493e-02 4.70 -9.767761094e-02 4.72 -1.008177731e-01 4.74 -1.038023799e-01 4.76 -1.066364332e-01 4.78 -1.093247927e-01 4.80 -1.118721796e-01 4.82 -1.142831802e-01 4.84 -1.165622500e-01 4.86 -1.187137166e-01 4.88 -1.207417837e-01 4.90 -1.226505344e-01 4.92 -1.244439341e-01 4.94 -1.261258343e-01 4.96 -1.276999752e-01 4.98 -1.291699889e-01 5.00 -1.305394024e-01 5.02 -1.318116405e-01 5.04 -1.329900286e-01 5.06 -1.340777950e-01 5.08 -1.350780742e-01 5.10 -1.359939092e-01 5.12 -1.368282537e-01 5.14 -1.375839751e-01 5.16 -1.382638564e-01 5.18 -1.388705989e-01 5.20 -1.394068239e-01 5.22 -1.398750758e-01 5.24 -1.402778231e-01 5.26 -1.406174614e-01 5.28 -1.408963151e-01 5.30 -1.411166391e-01 5.32 -1.412806211e-01 5.34 -1.413903835e-01 5.36 -1.414479846e-01 5.38 -1.414554211e-01 5.40 -1.414146295e-01 5.42 -1.413274877e-01 5.44 -1.411958167e-01 5.46 -1.410213822e-01 5.48 -1.408058963e-01 5.50 -1.405510185e-01 5.52 -1.402583578e-01 5.54 -1.399294735e-01 5.56 -1.395658773e-01 5.58 -1.391690338e-01 5.60 -1.387403625e-01 5.62 -1.382812388e-01 5.64 -1.377929951e-01 5.66 -1.372769223e-01 5.68 -1.367342708e-01 5.70 -1.361662515e-01 5.72 -1.355740374e-01 5.74 -1.349587641e-01 5.76 -1.343215313e-01 5.78 -1.336634034e-01 5.80 -1.329854109e-01 5.82 -1.322885512e-01 5.84 -1.315737894e-01 5.86 -1.308420595e-01 5.88 -1.300942652e-01 5.90 -1.293312804e-01 5.92 -1.285539507e-01 5.94 -1.277630937e-01 5.96 -1.269595001e-01 5.98 -1.261439341e-01 6.00 -1.253171348e-01 6.02 -1.244798161e-01 6.04 -1.236326682e-01 6.06 -1.227763579e-01 6.08 -1.219115291e-01 6.10 -1.210388040e-01 6.12 -1.201587833e-01 6.14 -1.192720468e-01 6.16 -1.183791544e-01 6.18 -1.174806464e-01 6.20 -1.165770439e-01 6.22 -1.156688499e-01 6.24 -1.147565493e-01 6.26 -1.138406097e-01 6.28 -1.129214819e-01 6.30 -1.119996003e-01 6.32 -1.110753834e-01 6.34 -1.101492345e-01 6.36 -1.092215417e-01 6.38 -1.082926789e-01 6.40 -1.073630058e-01 6.42 -1.064328683e-01 6.44 -1.055025995e-01 6.46 -1.045725193e-01 6.48 -1.036429354e-01 6.50 -1.027141433e-01 6.52 -1.017864268e-01 6.54 -1.008600585e-01 6.56 -9.993529986e-02 6.58 -9.901240184e-02 6.60 -9.809160496e-02 6.62 -9.717313977e-02 6.64 -9.625722709e-02 6.66 -9.534407838e-02 6.68 -9.443389596e-02 6.70 -9.352687335e-02 6.72 -9.262319551e-02 6.74 -9.172303911e-02 6.76 -9.082657280e-02 6.78 -8.993395749e-02 6.80 -8.904534652e-02 6.82 -8.816088600e-02 6.84 -8.728071493e-02 6.86 -8.640496554e-02 6.88 -8.553376341e-02 6.90 -8.466722775e-02 6.92 -8.380547158e-02 6.94 -8.294860193e-02 6.96 -8.209672002e-02 6.98 -8.124992151e-02 7.00 -8.040829660e-02 7.02 -7.957193029e-02 7.04 -7.874090247e-02 7.06 -7.791528818e-02 7.08 -7.709515769e-02 7.10 -7.628057673e-02 7.12 -7.547160657e-02 7.14 -7.466830426e-02 7.16 -7.387072269e-02 7.18 -7.307891078e-02 7.20 -7.229291360e-02 7.22 -7.151277253e-02 7.24 -7.073852534e-02 7.26 -6.997020636e-02 7.28 -6.920784659e-02 7.30 -6.845147381e-02 7.32 -6.770111269e-02 7.34 -6.695678491e-02 7.36 -6.621850930e-02 7.38 -6.548630187e-02 7.40 -6.476017599e-02 7.42 -6.404014243e-02 7.44 -6.332620951e-02 7.46 -6.261838312e-02 7.48 -6.191666691e-02 7.50 -6.122106226e-02 7.52 -6.053156848e-02 7.54 -5.984818281e-02 7.56 -5.917090053e-02 7.58 -5.849971505e-02 7.60 -5.783461795e-02 7.62 -5.717559908e-02 7.64 -5.652264665e-02 7.66 -5.587574723e-02 7.68 -5.523488589e-02 7.70 -5.460004623e-02 7.72 -5.397121043e-02 7.74 -5.334835933e-02 7.76 -5.273147250e-02 7.78 -5.212052826e-02 7.80 -5.151550378e-02 7.82 -5.091637507e-02 7.84 -5.032311712e-02 7.86 -4.973570385e-02 7.88 -4.915410826e-02 7.90 -4.857830237e-02 7.92 -4.800825736e-02 7.94 -4.744394356e-02 7.96 -4.688533051e-02 7.98 -4.633238700e-02 8.00 -4.578508109e-02 8.02 -4.524338018e-02 8.04 -4.470725104e-02 8.06 -4.417665981e-02 8.08 -4.365157210e-02 8.10 -4.313195296e-02 8.12 -4.261776695e-02 8.14 -4.210897815e-02 8.16 -4.160555022e-02 8.18 -4.110744638e-02 8.20 -4.061462951e-02 8.22 -4.012706210e-02 8.24 -3.964470632e-02 8.26 -3.916752404e-02 8.28 -3.869547687e-02 8.30 -3.822852614e-02 8.32 -3.776663295e-02 8.34 -3.730975822e-02 8.36 -3.685786264e-02 8.38 -3.641090677e-02 8.40 -3.596885100e-02 8.42 -3.553165560e-02 8.44 -3.509928073e-02 8.46 -3.467168646e-02 8.48 -3.424883277e-02 8.50 -3.383067960e-02 8.52 -3.341718685e-02 8.54 -3.300831436e-02 8.56 -3.260402201e-02 8.58 -3.220426962e-02 8.60 -3.180901708e-02 8.62 -3.141822426e-02 8.64 -3.103185112e-02 8.66 -3.064985763e-02 8.68 -3.027220384e-02 8.70 -2.989884988e-02 8.72 -2.952975595e-02 8.74 -2.916488237e-02 8.76 -2.880418954e-02 8.78 -2.844763800e-02 8.80 -2.809518838e-02 8.82 -2.774680147e-02 8.84 -2.740243820e-02 8.86 -2.706205963e-02 8.88 -2.672562699e-02 8.90 -2.639310166e-02 8.92 -2.606444521e-02 8.94 -2.573961938e-02 8.96 -2.541858606e-02 8.98 -2.510130738e-02 9.00 -2.478774562e-02 9.02 -2.447786329e-02 9.04 -2.417162307e-02 9.06 -2.386898790e-02 9.08 -2.356992087e-02 9.10 -2.327438534e-02 9.12 -2.298234487e-02 9.14 -2.269376323e-02 9.16 -2.240860445e-02 9.18 -2.212683277e-02 9.20 -2.184841267e-02 9.22 -2.157330888e-02 9.24 -2.130148635e-02 9.26 -2.103291028e-02 9.28 -2.076754613e-02 9.30 -2.050535960e-02 9.32 -2.024631663e-02 9.34 -1.999038342e-02 9.36 -1.973752642e-02 9.38 -1.948771235e-02 9.40 -1.924090816e-02 9.42 -1.899708109e-02 9.44 -1.875619861e-02 9.46 -1.851822846e-02 9.48 -1.828313865e-02 9.50 -1.805089744e-02 9.52 -1.782147336e-02 9.54 -1.759483519e-02 9.56 -1.737095199e-02 9.58 -1.714979307e-02 9.60 -1.693132802e-02 9.62 -1.671552666e-02 9.64 -1.650235913e-02 9.66 -1.629179577e-02 9.68 -1.608380723e-02 9.70 -1.587836440e-02 9.72 -1.567543844e-02 9.74 -1.547500078e-02 9.76 -1.527702310e-02 9.78 -1.508147735e-02 9.80 -1.488833573e-02 9.82 -1.469757072e-02 9.84 -1.450915503e-02 9.86 -1.432306167e-02 9.88 -1.413926385e-02 9.90 -1.395773510e-02 9.92 -1.377844917e-02 9.94 -1.360138006e-02 9.96 -1.342650205e-02 9.98 -1.325378965e-02 10.00 -1.308321764e-02