# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2026--Tirumala-A-S-Shattock-O-Mason-D-R-et-al--W-H-He # implementation = 2026--Tirumala-A-S--W-H-He--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 2026-06-16 r H W W W H H He He He W H He 0.02 4.058345217e+04 3.004602145e+06 5.563831289e+02 2.570629226e+03 8.876240717e+04 1.295801088e+03 0.04 1.612329464e+04 1.194551099e+06 2.270282807e+02 1.156943315e+03 3.773934862e+04 5.873038242e+02 0.06 8.778423097e+03 6.510309765e+05 1.282051293e+02 6.992623740e+02 2.173323344e+04 3.571656819e+02 0.08 5.473313545e+03 4.064528995e+05 8.381630817e+01 4.783684052e+02 1.424771146e+04 2.456893099e+02 0.10 3.683899098e+03 2.740358257e+05 5.985379648e+01 3.508652169e+02 1.005226571e+04 1.811111691e+02 0.12 2.605119269e+03 1.942051954e+05 4.545305414e+01 2.692274539e+02 7.438099258e+03 1.396200097e+02 0.14 1.907526507e+03 1.425818150e+05 3.615146734e+01 2.132593395e+02 5.691091222e+03 1.110818068e+02 0.16 1.433670596e+03 1.075143023e+05 2.980308857e+01 1.729740907e+02 4.464090501e+03 9.047620877e+01 0.18 1.099809657e+03 8.280570018e+04 2.525857833e+01 1.428965725e+02 3.569816764e+03 7.504546655e+01 0.20 8.578030129e+02 6.489354839e+04 2.185563383e+01 1.197905871e+02 2.899163138e+03 6.315631432e+01 0.22 6.783082440e+02 5.160646531e+04 1.919632843e+01 1.016299406e+02 2.384679912e+03 5.378420790e+01 0.24 5.426128402e+02 4.155968987e+04 1.704073241e+01 8.708672455e+01 1.982655968e+03 4.625650635e+01 0.26 4.383474577e+02 3.383786223e+04 1.525280851e+01 7.525762096e+01 1.663659161e+03 4.011492133e+01 0.28 3.570941138e+02 2.781802989e+04 1.377182421e+01 6.550875606e+01 1.407237358e+03 3.503742554e+01 0.30 2.929836906e+02 2.306586265e+04 1.259708188e+01 5.738346339e+01 1.198800243e+03 3.079174659e+01 0.32 2.418393428e+02 1.927226449e+04 1.173360704e+01 5.054521904e+01 1.027706342e+03 2.720655381e+01 0.34 2.006353360e+02 1.621332729e+04 1.106575544e+01 4.474111918e+01 8.860518762e+02 2.415298343e+01 0.36 1.671453212e+02 1.372430285e+04 1.047769011e+01 3.977780966e+01 7.678727229e+02 2.153244933e+01 0.38 1.397081486e+02 1.168227282e+04 9.884729347e+00 3.550521079e+01 6.685959038e+02 1.926838487e+01 0.40 1.170686674e+02 9.994367631e+03 9.228804040e+00 3.180526024e+01 5.846703756e+02 1.730053022e+01 0.42 9.826752107e+01 8.589611010e+03 8.474572067e+00 2.858396796e+01 5.133084047e+02 1.558089131e+01 0.44 8.256362858e+01 7.413183342e+03 7.605970316e+00 2.576570574e+01 4.523004090e+02 1.407083637e+01 0.46 6.937887083e+01 6.422328202e+03 6.623063612e+00 2.328903503e+01 3.998802180e+02 1.273897152e+01 0.48 5.825810966e+01 5.583393481e+03 5.539097117e+00 2.110361270e+01 3.546255720e+02 1.155956311e+01 0.50 4.883994643e+01 4.869667261e+03 4.377691816e+00 1.916786487e+01 3.153836551e+02 1.051135415e+01 0.52 4.083510261e+01 4.259777719e+03 3.170140308e+00 1.744721612e+01 2.812146808e+02 9.576659181e+00 0.54 3.401027433e+01 3.736498106e+03 1.952775158e+00 1.591272619e+01 2.513486667e+02 8.740669403e+00 0.56 2.817596107e+01 3.285845826e+03 7.643888495e-01 1.454002912e+01 2.251519668e+02 7.990910538e+00 0.58 2.317720933e+01 2.896397207e+03 -3.563079434e-01 1.330849982e+01 2.021007974e+02 7.316817078e+00 0.60 1.888651396e+01 2.558761968e+03 -1.373199921e+00 1.220059344e+01 1.817553941e+02 6.709392730e+00 0.62 1.519833169e+01 2.265176963e+03 -2.255260082e+00 1.120131741e+01 1.637437093e+02 6.160942042e+00 0.64 1.202480797e+01 2.009189743e+03 -2.979025710e+00 1.029780617e+01 1.477524647e+02 5.664850264e+00 0.66 9.292425687e+00 1.785410323e+03 -3.531062916e+00 9.478976276e+00 1.335168541e+02 5.215407294e+00 0.68 6.939358624e+00 1.589315089e+03 -3.910421422e+00 8.735244957e+00 1.208121408e+02 4.807660372e+00 0.70 4.913367486e+00 1.417090899e+03 -4.131080819e+00 8.058298773e+00 1.094468561e+02 4.437297554e+00 0.72 3.170117378e+00 1.265510331e+03 -4.224391345e+00 7.440902628e+00 9.925726579e+01 4.100544702e+00 0.74 1.671823878e+00 1.131831276e+03 -4.241508457e+00 6.876741198e+00 9.010284972e+01 3.794086546e+00 0.76 3.861577636e-01 1.013715654e+03 -4.238169138e+00 6.360286504e+00 8.186259134e+01 3.514994599e+00 0.78 -7.146466360e-01 9.091632381e+02 -4.219889152e+00 5.886686983e+00 7.443192047e+01 3.260669941e+00 0.80 -1.654519651e+00 8.164575169e+02 -4.181249825e+00 5.451674066e+00 6.772018429e+01 3.028794737e+00 0.82 -2.454155428e+00 7.341211642e+02 -4.120180978e+00 5.051483176e+00 6.164854768e+01 2.817286279e+00 0.84 -3.131506124e+00 6.608792524e+02 -4.035941184e+00 4.682786681e+00 5.614824405e+01 2.624266345e+00 0.86 -3.702191598e+00 5.956287175e+02 -3.928866420e+00 4.342636800e+00 5.115911245e+01 2.448024968e+00 0.88 -4.179840721e+00 5.374129081e+02 -3.800236931e+00 4.028416811e+00 4.662837155e+01 2.286997671e+00 0.90 -4.576376101e+00 4.854002874e+02 -3.652136305e+00 3.737799216e+00 4.250958656e+01 2.139740250e+00 0.92 -4.902253557e+00 4.388665394e+02 -3.487305119e+00 3.468709707e+00 3.876179876e+01 2.004908343e+00 0.94 -5.166662905e+00 3.971794834e+02 -3.308992800e+00 3.219296171e+00 3.534878745e+01 1.881240470e+00 0.96 -5.377697902e+00 3.597863125e+02 -3.120810349e+00 2.987901783e+00 3.223844362e+01 1.767542809e+00 0.98 -5.542499931e+00 3.262027618e+02 -2.926587533e+00 2.773041756e+00 2.940223597e+01 1.662675223e+00 1.00 -5.667379991e+00 2.960038890e+02 -2.730237124e+00 2.573383013e+00 2.681475548e+01 1.565537830e+00 1.02 -5.757922422e+00 2.688162028e+02 -2.535629121e+00 2.387726593e+00 2.445332448e+01 1.475061936e+00 1.04 -5.819073331e+00 2.443109257e+02 -2.346477387e+00 2.214992129e+00 2.229766136e+01 1.390218364e+00 1.06 -5.855216390e+00 2.221982123e+02 -2.166240192e+00 2.054204417e+00 2.032959076e+01 1.310332635e+00 1.08 -5.870237258e+00 2.022221759e+02 -1.998036466e+00 1.904481440e+00 1.853279415e+01 1.235056781e+00 1.10 -5.867579122e+00 1.841566013e+02 -1.844578303e+00 1.765023982e+00 1.689259297e+01 1.164088137e+00 1.12 -5.850290457e+00 1.678012394e+02 -1.708120085e+00 1.635106390e+00 1.539576036e+01 1.097153106e+00 1.14 -5.821065455e+00 1.529786011e+02 -1.590423526e+00 1.514068424e+00 1.403035764e+01 1.034006394e+00 1.16 -5.782279524e+00 1.395311758e+02 -1.492738195e+00 1.401308069e+00 1.278559073e+01 9.744238171e-01 1.18 -5.736019188e+00 1.273190147e+02 -1.415795534e+00 1.296275084e+00 1.165168538e+01 9.182016080e-01 1.20 -5.679150867e+00 1.162176269e+02 -1.359814737e+00 1.198465361e+00 1.061977727e+01 8.651535483e-01 1.22 -5.587256574e+00 1.061161460e+02 -1.324518248e+00 1.107415817e+00 9.681815733e+00 8.151082457e-01 1.24 -5.452633290e+00 9.691572847e+01 -1.309154180e+00 1.022699878e+00 8.830479817e+00 7.679079589e-01 1.26 -5.287836924e+00 8.852815385e+01 -1.312522908e+00 9.439234345e-01 8.059104004e+00 7.234054120e-01 1.28 -5.113344027e+00 8.087459858e+01 -1.333005492e+00 8.707212149e-01 7.361613358e+00 6.814632823e-01 1.30 -4.948585856e+00 7.388456091e+01 -1.368590669e+00 8.027535043e-01 6.732468328e+00 6.419535600e-01 1.32 -4.806122277e+00 6.749491730e+01 -1.416898647e+00 7.397032198e-01 6.166615750e+00 6.047548957e-01 1.34 -4.688564268e+00 6.164909199e+01 -1.475198765e+00 6.812732773e-01 5.659449629e+00 5.697523595e-01 1.36 -4.587773727e+00 5.629632740e+01 -1.540419607e+00 6.271841849e-01 5.206778893e+00 5.368368547e-01 1.38 -4.492895799e+00 5.139104060e+01 -1.609150178e+00 5.771718935e-01 4.804803794e+00 5.059030693e-01 1.40 -4.406479165e+00 4.689225548e+01 -1.677630674e+00 5.309858077e-01 4.450105434e+00 4.768518246e-01 1.42 -4.331247054e+00 4.276310114e+01 -1.741768776e+00 4.883870535e-01 4.139647784e+00 4.495857438e-01 1.44 -4.267740061e+00 3.897036931e+01 -1.798729376e+00 4.491467926e-01 3.870803006e+00 4.240115698e-01 1.46 -4.215042185e+00 3.548412224e+01 -1.847884704e+00 4.130447776e-01 3.641413589e+00 4.000394923e-01 1.48 -4.171320005e+00 3.227734439e+01 -1.888996974e+00 3.798679957e-01 3.449918923e+00 3.775812067e-01 1.50 -4.134223362e+00 2.932563565e+01 -1.922052324e+00 3.494094071e-01 3.295613314e+00 3.565515360e-01 1.52 -4.101858091e+00 2.660693707e+01 -1.947237795e+00 3.214668183e-01 3.179137561e+00 3.368679842e-01 1.54 -4.073272884e+00 2.410128813e+01 -1.964912129e+00 2.958418091e-01 3.103504622e+00 3.184496977e-01 1.56 -4.047677539e+00 2.179061082e+01 -1.975572494e+00 2.723388039e-01 3.079447598e+00 3.012177934e-01 1.58 -4.024408995e+00 1.965851805e+01 -1.979818367e+00 2.507641332e-01 3.137496159e+00 2.850967397e-01 1.60 -4.002929200e+00 1.769014092e+01 -1.978314115e+00 2.309252226e-01 3.661312275e+00 2.700113911e-01 1.62 -3.982798844e+00 1.587197764e+01 -1.971751744e+00 2.126298128e-01 3.867800887e+00 2.558910776e-01 1.64 -3.963636144e+00 1.419175619e+01 -1.960814963e+00 1.956879910e-01 3.885702968e+00 2.426651845e-01 1.66 -3.945068828e+00 1.263831293e+01 -1.946145287e+00 1.799636863e-01 3.868417376e+00 2.302675609e-01 1.68 -3.926683711e+00 1.120148388e+01 -1.928310997e+00 1.653739991e-01 3.832624615e+00 2.186332590e-01 1.70 -3.907977040e+00 9.872007617e+00 -1.907779062e+00 1.518431781e-01 3.785867693e+00 2.077013101e-01 1.72 -3.888306942e+00 8.641437393e+00 -1.884889650e+00 1.393004547e-01 3.731976261e+00 1.974126065e-01 1.74 -3.866847653e+00 7.502063554e+00 -1.859832542e+00 1.276796980e-01 3.673152123e+00 1.877125100e-01 1.76 -3.842795486e+00 6.446843326e+00 -1.832689676e+00 1.169190918e-01 3.610785463e+00 1.785485942e-01 1.78 -3.816074127e+00 5.469338072e+00 -1.803649439e+00 1.069608024e-01 3.545826588e+00 1.698726714e-01 1.80 -3.786794265e+00 4.563656326e+00 -1.772927420e+00 9.775074682e-02 3.478978747e+00 1.616404872e-01 1.82 -3.755072753e+00 3.724403140e+00 -1.740727701e+00 8.923830210e-02 3.410799899e+00 1.538115229e-01 1.84 -3.721030367e+00 2.946634747e+00 -1.707242548e+00 8.137608532e-02 3.341763793e+00 1.463510259e-01 1.86 -3.684789368e+00 2.225816690e+00 -1.672652008e+00 7.411973429e-02 3.272293448e+00 1.392270573e-01 1.88 -3.646471982e+00 1.557786985e+00 -1.637124074e+00 6.742771188e-02 3.202777178e+00 1.324144913e-01 1.90 -3.606199185e+00 9.387228229e-01 -1.600814637e+00 6.126111594e-02 3.133579434e+00 1.258917081e-01 1.92 -3.564089558e+00 3.651101019e-01 -1.563867766e+00 5.558350207e-02 3.065042745e+00 1.196445369e-01 1.94 -3.520258463e+00 -1.662843699e-01 -1.526415917e+00 5.036074341e-02 2.997486358e+00 1.136641108e-01 1.96 -3.474818110e+00 -6.584369909e-01 -1.488580556e+00 4.556086389e-02 2.931203013e+00 1.079465837e-01 1.98 -3.427876410e+00 -1.114089426e+00 -1.450472307e+00 4.115391923e-02 2.866452271e+00 1.024962754e-01 2.00 -3.379537636e+00 -1.535770447e+00 -1.412191711e+00 3.711185683e-02 2.803454233e+00 9.731371279e-02 2.02 -3.329901843e+00 -1.925812337e+00 -1.373829634e+00 3.340839680e-02 2.742387171e+00 9.238416182e-02 2.04 -3.279064843e+00 -2.286369274e+00 -1.335467779e+00 3.001894353e-02 2.683412014e+00 8.768979606e-02 2.06 -3.227118516e+00 -2.619431137e+00 -1.297179278e+00 2.692045699e-02 2.626648164e+00 8.321568921e-02 2.08 -3.174151327e+00 -2.926838509e+00 -1.259029533e+00 2.409137304e-02 2.572151480e+00 7.894710841e-02 2.10 -3.120247362e+00 -3.210294047e+00 -1.221076193e+00 2.151150743e-02 2.519905779e+00 7.486955643e-02 2.12 -3.065487849e+00 -3.471374790e+00 -1.183370404e+00 1.916198625e-02 2.469813505e+00 7.096950744e-02 2.14 -3.009950355e+00 -3.711542157e+00 -1.145956770e+00 1.702514834e-02 2.421686118e+00 6.723260618e-02 2.16 -2.953709311e+00 -3.932151387e+00 -1.108874181e+00 1.508449352e-02 2.375234184e+00 6.364695202e-02 2.18 -2.896836673e+00 -4.134460184e+00 -1.072156450e+00 1.332459944e-02 2.330065003e+00 6.020093018e-02 2.20 -2.839401336e+00 -4.319636969e+00 -1.035832406e+00 1.173106737e-02 2.285878981e+00 5.688400243e-02 2.22 -2.781469881e+00 -4.488767559e+00 -9.999267278e-01 1.029044949e-02 2.242575639e+00 5.368716014e-02 2.24 -2.723106684e+00 -4.642862569e+00 -9.644602100e-01 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8.98 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.00 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.02 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.04 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.06 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.08 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.10 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.12 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.14 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.16 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 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9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.38 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.40 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.42 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.44 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.46 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.48 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.50 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.52 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.54 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.56 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.58 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.60 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.62 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.64 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.66 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.68 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.70 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.72 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.74 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.76 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.78 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.80 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.82 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.84 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.86 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.88 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.90 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.92 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.94 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.96 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 9.98 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14 10.00 2.769590113e-13 4.599653991e-13 9.395262346e-14 -5.421010862e-20 2.299826724e-13 4.697628462e-14