# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2024--Oh-Y-Sung-S-Jang-J-i-et-al--W-H # implementation = 2024--Oh-Y--W-H--LAMMPS--ipr1 # 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 2026-08-31 r H H H W W W 0.02 4.400647542e+02 3.726386064e+03 1.543932436e+03 0.04 3.795575022e+02 3.416466008e+03 1.469396113e+03 0.06 3.268488771e+02 3.134277073e+03 1.396067859e+03 0.08 2.809736466e+02 2.876316280e+03 1.324611859e+03 0.10 2.410823307e+02 2.639860253e+03 1.255464192e+03 0.12 2.064276930e+02 2.422721492e+03 1.188895792e+03 0.14 1.763527694e+02 2.223087997e+03 1.125058827e+03 0.16 1.502802635e+02 2.039417497e+03 1.064020773e+03 0.18 1.277031593e+02 1.870367387e+03 1.005789378e+03 0.20 1.081764118e+02 1.714747935e+03 9.503308802e+02 0.22 9.130959596e+01 1.571490649e+03 8.975832643e+02 0.24 7.676040315e+01 1.439626499e+03 8.474658590e+02 0.26 6.422889274e+01 1.318270566e+03 7.998862481e+02 0.28 5.345241220e+01 1.206610884e+03 7.547452140e+02 0.30 4.420111010e+01 1.103900034e+03 7.119402447e+02 0.32 3.627397310e+01 1.009448570e+03 6.713679966e+02 0.34 2.949532837e+01 9.226196747e+02 6.329259986e+02 0.36 2.371175839e+01 8.428246695e+02 5.965138081e+02 0.38 1.878938042e+01 7.695191351e+02 5.620337735e+02 0.40 1.461144837e+01 7.021994779e+02 5.293915157e+02 0.42 1.107623981e+01 6.403998445e+02 4.984962104e+02 0.44 8.095195713e+00 5.836893156e+02 4.692607297e+02 0.46 5.591283211e+00 5.316693344e+02 4.416016856e+02 0.48 3.497555465e+00 4.839713357e+02 4.154394067e+02 0.50 1.755885181e+00 4.402545540e+02 3.906978707e+02 0.52 3.158519214e-01 4.002039919e+02 3.673046059e+02 0.54 -8.662350332e-01 3.635285363e+02 3.451905759e+02 0.56 -1.828194268e+00 3.299592096e+02 3.242900522e+02 0.58 -2.602724643e+00 2.992475450e+02 3.045404827e+02 0.60 -3.218064874e+00 2.711640784e+02 2.858823576e+02 0.62 -3.698571356e+00 2.454969473e+02 2.682590771e+02 0.64 -4.065223978e+00 2.220505906e+02 2.516168208e+02 0.66 -4.336068645e+00 2.006445406e+02 2.359044210e+02 0.68 -4.526604544e+00 1.811122996e+02 2.210732400e+02 0.70 -4.650122142e+00 1.633002669e+02 2.070770529e+02 0.72 -4.717998140e+00 1.470665539e+02 1.938719333e+02 0.74 -4.739953415e+00 1.322792364e+02 1.814161456e+02 0.76 -4.724277025e+00 1.188136525e+02 1.696700407e+02 0.78 -4.678021851e+00 1.065497238e+02 1.585959569e+02 0.80 -4.607175085e+00 9.537212055e+01 1.481581250e+02 0.82 -4.516805667e+00 8.517523342e+01 1.383225782e+02 0.84 -4.411192856e+00 7.587057052e+01 1.290570650e+02 0.86 -4.293937920e+00 6.739072779e+01 1.203309673e+02 0.88 -4.168060603e+00 5.968576385e+01 1.121152217e+02 0.90 -4.036082848e+00 5.271348888e+01 1.043822443e+02 0.92 -3.900101263e+00 4.642958383e+01 9.710585898e+01 0.94 -3.761849621e+00 4.078282093e+01 9.026122965e+01 0.96 -3.622752848e+00 3.571629721e+01 8.382479472e+01 0.98 -3.483973567e+00 3.117189668e+01 7.777420520e+01 1.00 -3.346452169e+00 2.709465040e+01 7.208826546e+01 1.02 -3.210941216e+00 2.343526967e+01 6.674687685e+01 1.04 -3.078034986e+00 2.015080239e+01 6.173098386e+01 1.06 -2.948194795e+00 1.720412111e+01 5.702252291e+01 1.08 -2.821770665e+00 1.456295740e+01 5.260437343e+01 1.10 -2.699019812e+00 1.219892373e+01 4.846031131e+01 1.12 -2.580122414e+00 1.008670891e+01 4.457496453e+01 1.14 -2.465195021e+00 8.203481048e+00 4.093377090e+01 1.16 -2.354301936e+00 6.528466537e+00 3.752293779e+01 1.18 -2.247464851e+00 5.042657929e+00 3.432940372e+01 1.20 -2.144670991e+00 3.728608105e+00 3.134080191e+01 1.22 -2.045879963e+00 2.570279385e+00 2.854542546e+01 1.24 -1.951029518e+00 1.552926331e+00 2.593219426e+01 1.26 -1.860040361e+00 6.629988565e-01 2.349062343e+01 1.28 -1.772820173e+00 -1.119423790e-01 2.121079335e+01 1.30 -1.689266943e+00 -7.833028394e-01 1.908332112e+01 1.32 -1.609271718e+00 -1.361525686e+00 1.709933337e+01 1.34 -1.532720877e+00 -1.856159318e+00 1.525044045e+01 1.36 -1.459497972e+00 -2.275921483e+00 1.352871185e+01 1.38 -1.389485234e+00 -2.628760182e+00 1.192665284e+01 1.40 -1.322564775e+00 -2.921911426e+00 1.043718225e+01 1.42 -1.258619553e+00 -3.161953845e+00 9.053611362e+00 1.44 -1.197534123e+00 -3.354860159e+00 7.769623855e+00 1.46 -1.139195224e+00 -3.506045549e+00 6.579256748e+00 1.48 -1.083492220e+00 -3.620412942e+00 5.476882311e+00 1.50 -1.030317427e+00 -3.702395299e+00 4.457190883e+00 1.52 -9.795663431e-01 -3.755994973e+00 3.515174567e+00 1.54 -9.311378032e-01 -3.784820297e+00 2.646111765e+00 1.56 -8.849340668e-01 -3.792119491e+00 1.845552517e+00 1.58 -8.408608596e-01 -3.780812033e+00 1.109304603e+00 1.60 -7.988273731e-01 -3.753517638e+00 4.334203672e-01 1.62 -7.587462337e-01 -3.712582981e+00 -1.858157462e-01 1.64 -7.205334473e-01 -3.660106317e+00 -7.518989934e-01 1.66 -6.841083262e-01 -3.597960125e+00 -1.268115489e+00 1.68 -6.493934023e-01 -3.527811918e+00 -1.737552755e+00 1.70 -6.163143318e-01 -3.451143332e+00 -2.163109688e+00 1.72 -5.847997925e-01 -3.369267645e+00 -2.547505969e+00 1.74 -5.547813786e-01 -3.283345820e+00 -2.893290937e+00 1.76 -5.261934932e-01 -3.194401190e+00 -3.202851970e+00 1.78 -4.989732408e-01 -3.103332882e+00 -3.478422395e+00 1.80 -4.730603220e-01 -3.010928094e+00 -3.722088952e+00 1.82 -4.483969284e-01 -2.917873293e+00 -3.935798856e+00 1.84 -4.249276420e-01 -2.824764434e+00 -4.121366493e+00 1.86 -4.025993370e-01 -2.732116280e+00 -4.280479794e+00 1.88 -3.813610853e-01 -2.640370876e+00 -4.414706354e+00 1.90 -3.611640658e-01 -2.549905269e+00 -4.525499343e+00 1.92 -3.419614773e-01 -2.461038527e+00 -4.614203306e+00 1.94 -3.237084556e-01 -2.374038103e+00 -4.682059952e+00 1.96 -3.063619937e-01 -2.289125621e+00 -4.730214053e+00 1.98 -2.898808668e-01 -2.206482109e+00 -4.759719605e+00 2.00 -2.742255597e-01 -2.126252743e+00 -4.771546446e+00 2.02 -2.593581981e-01 -2.048551132e+00 -4.766587552e+00 2.04 -2.452424833e-01 -1.973463187e+00 -4.745667292e+00 2.06 -2.318436293e-01 -1.901050608e+00 -4.709550944e+00 2.08 -2.191283040e-01 -1.831354020e+00 -4.658955842e+00 2.10 -2.070645717e-01 -1.764395789e+00 -4.594564539e+00 2.12 -1.956218392e-01 -1.700182539e+00 -4.517040371e+00 2.14 -1.847708036e-01 -1.638707400e+00 -4.427045786e+00 2.16 -1.744834029e-01 -1.579952005e+00 -4.325263678e+00 2.18 -1.647327686e-01 -1.523888248e+00 -4.212421791e+00 2.20 -1.554931796e-01 -1.470479830e+00 -4.089319902e+00 2.22 -1.467400188e-01 -1.419683593e+00 -3.956859012e+00 2.24 -1.384497312e-01 -1.371450668e+00 -3.816071118e+00 2.26 -1.305997829e-01 -1.325727421e+00 -3.668147259e+00 2.28 -1.231686230e-01 -1.282456220e+00 -3.514460620e+00 2.30 -1.161356452e-01 -1.241576020e+00 -3.356580555e+00 2.32 -1.094811526e-01 -1.203022750e+00 -3.196272697e+00 2.34 -1.031863222e-01 -1.166729512e+00 -3.035480253e+00 2.36 -9.723317140e-02 -1.132626567e+00 -2.876282365e+00 2.38 -9.160452569e-02 -1.100641107e+00 -2.720827384e+00 2.40 -8.628398714e-02 -1.070696783e+00 -2.571242155e+00 2.42 -8.125590408e-02 -1.042712992e+00 -2.429522636e+00 2.44 -7.650534176e-02 -1.016603894e+00 -2.297415692e+00 2.46 -7.201805399e-02 -9.922771737e-01 -2.176305724e+00 2.48 -6.778045576e-02 -9.696325458e-01 -2.067121590e+00 2.50 -6.377959664e-02 -9.485600732e-01 -1.970278340e+00 2.52 -6.000313521e-02 -9.289383728e-01 -1.885664107e+00 2.54 -5.643931416e-02 -9.106328757e-01 -1.812675912e+00 2.56 -5.307693636e-02 -8.934943803e-01 -1.750300341e+00 2.58 -4.990534167e-02 -8.773582335e-01 -1.697227868e+00 2.60 -4.691438446e-02 -8.620445752e-01 -1.651984630e+00 2.62 -4.409441201e-02 -8.473601442e-01 -1.613063676e+00 2.64 -4.143624351e-02 -8.331021490e-01 -1.579039300e+00 2.66 -3.893114991e-02 -8.190645799e-01 -1.548652447e+00 2.68 -3.657083436e-02 -8.050470517e-01 -1.520861198e+00 2.70 -3.434741340e-02 -7.908657895e-01 -1.494856729e+00 2.72 -3.225339877e-02 -7.763657499e-01 -1.470050490e+00 2.74 -3.028167990e-02 -7.614322531e-01 -1.446041796e+00 2.76 -2.842550704e-02 -7.460000901e-01 -1.422576063e+00 2.78 -2.667847496e-02 -7.300580996e-01 -1.399502677e+00 2.80 -2.503450731e-02 -7.136478237e-01 -1.376738741e+00 2.82 -2.348784153e-02 -6.968559706e-01 -1.354241674e+00 2.84 -2.203301438e-02 -6.798017557e-01 -1.331990803e+00 2.86 -2.066484794e-02 -6.626213277e-01 -1.309976361e+00 2.88 -1.937843626e-02 -6.454520374e-01 -1.288193610e+00 2.90 -1.816913245e-02 -6.284191212e-01 -1.266640051e+00 2.92 -1.703253635e-02 -6.116265613e-01 -1.245314231e+00 2.94 -1.596448264e-02 -5.951527633e-01 -1.224215272e+00 2.96 -1.496102949e-02 -5.790506147e-01 -1.203342680e+00 2.98 -1.401844767e-02 -5.633507343e-01 -1.182696257e+00 3.00 -1.313321005e-02 -5.480664159e-01 -1.162276036e+00 3.02 -1.230198164e-02 -5.331988819e-01 -1.142082235e+00 3.04 -1.152161000e-02 -5.187418687e-01 -1.122115215e+00 3.06 -1.078911608e-02 -5.046850662e-01 -1.102375439e+00 3.08 -1.010168546e-02 -4.910163674e-01 -1.082863444e+00 3.10 -9.456659965e-03 -4.777231570e-01 -1.063579805e+00 3.12 -8.851529680e-03 -4.647929484e-01 -1.044525119e+00 3.14 -8.283925301e-03 -4.522136534e-01 -1.025699975e+00 3.16 -7.751610852e-03 -4.399736701e-01 -1.007104936e+00 3.18 -7.252476724e-03 -4.280618971e-01 -9.887405262e-01 3.20 -6.784533045e-03 -4.164677218e-01 -9.706072146e-01 3.22 -6.345903358e-03 -4.051810007e-01 -9.527054022e-01 3.24 -5.934818601e-03 -3.941920391e-01 -9.350354136e-01 3.26 -5.549611369e-03 -3.834915701e-01 -9.175974881e-01 3.28 -5.188710453e-03 -3.730707345e-01 -9.003917733e-01 3.30 -4.850635653e-03 -3.629210607e-01 -8.834183202e-01 3.32 -4.533992091e-03 -3.530343475e-01 -8.666768015e-01 3.34 -4.237458288e-03 -3.434016072e-01 -8.501635431e-01 3.36 -3.959777813e-03 -3.340121564e-01 -8.338688983e-01 3.38 -3.699759505e-03 -3.248537594e-01 -8.177775677e-01 3.40 -3.456277615e-03 -3.159128599e-01 -8.018691812e-01 3.42 -3.228271163e-03 -3.071748014e-01 -7.861188599e-01 3.44 -3.014742663e-03 -2.986240360e-01 -7.704977565e-01 3.46 -2.814756335e-03 -2.902443230e-01 -7.549735800e-01 3.48 -2.627435911e-03 -2.820189181e-01 -7.395111060e-01 3.50 -2.451962140e-03 -2.739307544e-01 -7.240726770e-01 3.52 -2.287570049e-03 -2.659626163e-01 -7.086186956e-01 3.54 -2.133546048e-03 -2.580973074e-01 -6.931081149e-01 3.56 -1.989224926e-03 -2.503178130e-01 -6.774989287e-01 3.58 -1.853986790e-03 -2.426074595e-01 -6.617486657e-01 3.60 -1.727253997e-03 -2.349500703e-01 -6.458148909e-01 3.62 -1.608488093e-03 -2.273301197e-01 -6.296557165e-01 3.64 -1.497186824e-03 -2.197328853e-01 -6.132303266e-01 3.66 -1.392881210e-03 -2.121445999e-01 -5.964995163e-01 3.68 -1.295132738e-03 -2.045526036e-01 -5.794262500e-01 3.70 -1.203530664e-03 -1.969454956e-01 -5.619762376e-01 3.72 -1.117689469e-03 -1.893132871e-01 -5.441185330e-01 3.74 -1.037246458e-03 -1.816475548e-01 -5.258261549e-01 3.76 -9.618595463e-04 -1.739415957e-01 -5.070767298e-01 3.78 -8.912052123e-04 -1.661905820e-01 -4.878531600e-01 3.80 -8.249766562e-04 -1.583917180e-01 -4.681443137e-01 3.82 -7.628821606e-04 -1.505443960e-01 -4.479457393e-01 3.84 -7.046436684e-04 -1.426503542e-01 -4.272604022e-01 3.86 -6.499955883e-04 -1.347138333e-01 -4.060994429e-01 3.88 -5.986838391e-04 -1.267417329e-01 -3.844829555e-01 3.90 -5.504651458e-04 -1.187437678e-01 -3.624407850e-01 3.92 -5.051066010e-04 -1.107326222e-01 -3.400133403e-01 3.94 -4.623855093e-04 -1.027241029e-01 -3.172524227e-01 3.96 -4.220895355e-04 -9.473729103e-02 -2.942220650e-01 3.98 -3.840171831e-04 -8.679469130e-02 -2.709993808e-01 4.00 -3.479786391e-04 -7.892238051e-02 -2.476754187e-01 4.02 -3.137970316e-04 -7.115015446e-02 -2.243560204e-01 4.04 -2.813101660e-04 -6.351167511e-02 -2.011626779e-01 4.06 -2.503728299e-04 -5.604461954e-02 -1.782333868e-01 4.08 -2.208597964e-04 -4.879083352e-02 -1.557234925e-01 4.10 -1.926697166e-04 -4.179649434e-02 -1.338065254e-01 4.12 -1.657301840e-04 -3.511229055e-02 -1.126750205e-01 4.14 -1.400044158e-04 -2.879362868e-02 -9.254131977e-02 4.16 -1.155002585e-04 -2.290088775e-02 -7.363835079e-02 4.18 -9.228272475e-05 -1.749975207e-02 -5.622038039e-02 4.20 -7.049221990e-05 -1.266168082e-02 -4.056373781e-02 4.22 -5.037267015e-05 -8.464626503e-03 -2.696750453e-02 4.24 -3.231870062e-05 -4.994246301e-03 -1.575416687e-02 4.26 -1.696522988e-05 -2.346226679e-03 -7.270227848e-03 4.28 -5.397543226e-06 -6.317866525e-04 -1.886774881e-03 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 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