# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Molinero-V-Moore-E-B--water # implementation = 2009--Molinero-V--water--ipr-1 # 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 mW mW 0.02 1.335240066e+08 0.04 8.323443266e+06 0.06 1.639799534e+06 0.08 5.174606631e+05 0.10 2.113815723e+05 0.12 1.016622561e+05 0.14 5.472393664e+04 0.16 3.198900409e+04 0.18 1.991440953e+04 0.20 1.302863794e+04 0.22 8.873063323e+03 0.24 6.246652410e+03 0.26 4.521769941e+03 0.28 3.351657075e+03 0.30 2.535569404e+03 0.32 1.952571640e+03 0.34 1.527262300e+03 0.36 1.211200792e+03 0.38 9.724367470e+02 0.40 7.893985969e+02 0.42 6.472153593e+02 0.44 5.354415383e+02 0.46 4.466149898e+02 0.48 3.753223623e+02 0.50 3.175812128e+02 0.52 2.704239723e+02 0.54 2.316131057e+02 0.56 1.994430855e+02 0.58 1.726007610e+02 0.60 1.500656091e+02 0.62 1.310376089e+02 0.64 1.148844985e+02 0.66 1.011027993e+02 0.68 8.928872948e+01 0.70 7.911629822e+01 0.72 7.032066373e+01 0.74 6.268538832e+01 0.76 5.603260248e+01 0.78 5.021535927e+01 0.80 4.511165060e+01 0.82 4.061969374e+01 0.84 3.665419568e+01 0.86 3.314337524e+01 0.88 3.002657596e+01 0.90 2.725234256e+01 0.92 2.477686319e+01 0.94 2.256270169e+01 0.96 2.057776135e+01 0.98 1.879443399e+01 1.00 1.718889847e+01 1.02 1.574053990e+01 1.04 1.443146705e+01 1.06 1.324610983e+01 1.08 1.217088233e+01 1.10 1.119389985e+01 1.12 1.030474044e+01 1.14 9.494243306e+00 1.16 8.754337915e+00 1.18 8.077898652e+00 1.20 7.458620869e+00 1.22 6.890914901e+00 1.24 6.369815198e+00 1.26 5.890902212e+00 1.28 5.450235097e+00 1.30 5.044293572e+00 1.32 4.669927594e+00 1.34 4.324313687e+00 1.36 4.004916975e+00 1.38 3.709458090e+00 1.40 3.435884280e+00 1.42 3.182344135e+00 1.44 2.947165428e+00 1.46 2.728835656e+00 1.48 2.525984926e+00 1.50 2.337370859e+00 1.52 2.161865276e+00 1.54 1.998442414e+00 1.56 1.846168494e+00 1.58 1.704192460e+00 1.60 1.571737761e+00 1.62 1.448095023e+00 1.64 1.332615535e+00 1.66 1.224705420e+00 1.68 1.123820437e+00 1.70 1.029461327e+00 1.72 9.411696363e-01 1.74 8.585239778e-01 1.76 7.811366674e-01 1.78 7.086506990e-01 1.80 6.407370212e-01 1.82 5.770920817e-01 1.84 5.174356104e-01 1.86 4.615086165e-01 1.88 4.090715759e-01 1.90 3.599027909e-01 1.92 3.137969012e-01 1.94 2.705635346e-01 1.96 2.300260797e-01 1.98 1.920205706e-01 2.00 1.563946717e-01 2.02 1.230067522e-01 2.04 9.172504254e-02 2.06 6.242686434e-02 2.08 3.499792670e-02 2.10 9.331682696e-03 2.12 -1.467125954e-02 2.14 -3.710367633e-02 2.16 -5.805222316e-02 2.18 -7.759788853e-02 2.20 -9.581641087e-02 2.22 -1.127786618e-01 2.24 -1.285509983e-01 2.26 -1.431955879e-01 2.28 -1.567707071e-01 2.30 -1.693310172e-01 2.32 -1.809278194e-01 2.34 -1.916092891e-01 2.36 -2.014206938e-01 2.38 -2.104045940e-01 2.40 -2.186010295e-01 2.42 -2.260476918e-01 2.44 -2.327800841e-01 2.46 -2.388316704e-01 2.48 -2.442340131e-01 2.50 -2.490169017e-01 2.52 -2.532084725e-01 2.54 -2.568353198e-01 2.56 -2.599226001e-01 2.58 -2.624941291e-01 2.60 -2.645724729e-01 2.62 -2.661790326e-01 2.64 -2.673341241e-01 2.66 -2.680570534e-01 2.68 -2.683661864e-01 2.70 -2.682790156e-01 2.72 -2.678122221e-01 2.74 -2.669817351e-01 2.76 -2.658027876e-01 2.78 -2.642899693e-01 2.80 -2.624572770e-01 2.82 -2.603181626e-01 2.84 -2.578855789e-01 2.86 -2.551720230e-01 2.88 -2.521895788e-01 2.90 -2.489499571e-01 2.92 -2.454645346e-01 2.94 -2.417443912e-01 2.96 -2.378003471e-01 2.98 -2.336429976e-01 3.00 -2.292827476e-01 3.02 -2.247298458e-01 3.04 -2.199944173e-01 3.06 -2.150864957e-01 3.08 -2.100160556e-01 3.10 -2.047930429e-01 3.12 -1.994274066e-01 3.14 -1.939291284e-01 3.16 -1.883082531e-01 3.18 -1.825749180e-01 3.20 -1.767393819e-01 3.22 -1.708120538e-01 3.24 -1.648035206e-01 3.26 -1.587245743e-01 3.28 -1.525862384e-01 3.30 -1.463997928e-01 3.32 -1.401767979e-01 3.34 -1.339291158e-01 3.36 -1.276689309e-01 3.38 -1.214087668e-01 3.40 -1.151615002e-01 3.42 -1.089403709e-01 3.44 -1.027589876e-01 3.46 -9.663132680e-02 3.48 -9.057172649e-02 3.50 -8.459487041e-02 3.52 -7.871576360e-02 3.54 -7.294969641e-02 3.56 -6.731219561e-02 3.58 -6.181896026e-02 3.60 -5.648578023e-02 3.62 -5.132843476e-02 3.64 -4.636256852e-02 3.66 -4.160354242e-02 3.68 -3.706625659e-02 3.70 -3.276494300e-02 3.72 -2.871292572e-02 3.74 -2.492234758e-02 3.76 -2.140386320e-02 3.78 -1.816630006e-02 3.80 -1.521629198e-02 3.82 -1.255789271e-02 3.84 -1.019218188e-02 3.86 -8.116881589e-03 3.88 -6.326008689e-03 3.90 -4.809596267e-03 3.92 -3.553526490e-03 3.94 -2.539525184e-03 3.96 -1.745374174e-03 3.98 -1.145397228e-03 4.00 -7.112649852e-04 4.02 -4.131376070e-04 4.04 -2.211155209e-04 4.06 -1.068955600e-04 4.08 -4.543777291e-05 4.10 -1.635911405e-05 4.12 -4.729263162e-06 4.14 -1.014329325e-06 4.16 -1.428318506e-07 4.18 -1.081595081e-08 4.20 -3.105478410e-10 4.22 -1.725368689e-12 4.24 -4.214535023e-16 4.26 -8.033958692e-23 4.28 -1.099455607e-39 4.30 -2.496427684e-160 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 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