# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Liu-Z-Li-B-Guo-Y-et-al--Mo-Re # implementation = 2025--Liu-Z--Mo-Re--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 2025-12-17 r Mo Mo Re Re Mo Re 0.02 5.095218098e+07 1.578583088e+08 9.921332908e+07 0.04 1.052237844e+07 3.190463308e+07 2.054363264e+07 0.06 3.944551241e+06 1.175060158e+07 7.670025249e+06 0.08 1.899286556e+06 5.569632976e+06 3.673450187e+06 0.10 1.051550785e+06 3.038721341e+06 2.022197275e+06 0.12 6.366873622e+05 1.814288737e+06 1.217234514e+06 0.14 4.103238345e+05 1.153667285e+06 7.799031431e+05 0.16 2.769411300e+05 7.687263729e+05 5.233873378e+05 0.18 1.937165218e+05 5.311904103e+05 3.640911650e+05 0.20 1.394347179e+05 3.779457677e+05 2.606908798e+05 0.22 1.027539060e+05 2.754898685e+05 1.911509657e+05 0.24 7.723653428e+04 2.049470968e+05 1.430002396e+05 0.26 5.904795100e+04 1.551604246e+05 1.088335709e+05 0.28 4.581141714e+04 1.192697700e+05 8.407683511e+04 0.30 3.600401214e+04 9.291525114e+04 6.580955956e+04 0.32 2.862193904e+04 7.324674370e+04 5.211382403e+04 0.34 2.298726401e+04 5.835509299e+04 4.169910121e+04 0.36 1.863230811e+04 4.693385056e+04 3.367837280e+04 0.38 1.522834499e+04 3.807193614e+04 2.743040846e+04 0.40 1.254043642e+04 3.112315201e+04 2.251277442e+04 0.42 1.039814484e+04 2.562213012e+04 1.860558842e+04 0.44 8.676141724e+03 2.122905582e+04 1.547439193e+04 0.46 7.281126802e+03 1.769263457e+04 1.294518254e+04 0.48 6.142855129e+03 1.482486048e+04 1.088733994e+04 0.50 5.207887669e+03 1.248356085e+04 9.201770989e+03 0.52 4.435178053e+03 1.056015020e+04 7.812563243e+03 0.54 3.792916158e+03 8.970927478e+03 6.661033043e+03 0.56 3.256244029e+03 7.650817299e+03 5.701430910e+03 0.58 2.805585045e+03 6.548818533e+03 4.897808629e+03 0.60 2.425409306e+03 5.624660261e+03 4.221710419e+03 0.62 2.103312766e+03 4.846320849e+03 3.650455139e+03 0.64 1.829324280e+03 4.188170598e+03 3.165846765e+03 0.66 1.595379858e+03 3.629569290e+03 2.753198212e+03 0.68 1.394920645e+03 3.153798647e+03 2.400586483e+03 0.70 1.222583248e+03 2.747243499e+03 2.098280058e+03 0.72 1.073959527e+03 2.398759167e+03 1.838295574e+03 0.74 9.454090412e+02 2.099179364e+03 1.614052277e+03 0.76 8.339116799e+02 1.840930909e+03 1.420100977e+03 0.78 7.369511784e+02 1.617730195e+03 1.251910132e+03 0.80 6.524225212e+02 1.424342674e+03 1.105696059e+03 0.82 5.785579336e+02 1.256391201e+03 9.782874157e+02 0.84 5.138674227e+02 1.110202503e+03 8.670164707e+02 0.86 4.570907715e+02 9.826835745e+02 7.698027881e+02 0.88 4.071585961e+02 8.712216839e+02 6.849316024e+02 0.90 3.631606121e+02 7.736031093e+02 6.106444829e+02 0.92 3.243196636e+02 6.879468141e+02 5.454592855e+02 0.94 2.899703799e+02 6.126500883e+02 4.881255013e+02 0.96 2.595415670e+02 5.463438231e+02 4.375838871e+02 0.98 2.325416231e+02 4.878555733e+02 3.929338933e+02 1.00 2.085464173e+02 4.361789424e+02 3.534072339e+02 1.02 1.875198837e+02 3.904456325e+02 3.183463266e+02 1.04 1.692967446e+02 3.498288192e+02 2.871866171e+02 1.06 1.534368580e+02 3.137104868e+02 2.594420205e+02 1.08 1.395772189e+02 2.815527970e+02 2.346928762e+02 1.10 1.274171209e+02 2.528869709e+02 2.125806751e+02 1.12 1.167063938e+02 2.273038129e+02 1.927670621e+02 1.14 1.072360359e+02 2.044456179e+02 1.749693973e+02 1.16 9.883072213e+01 1.839992491e+02 1.589571847e+02 1.18 9.134278703e+01 1.656902051e+02 1.445283300e+02 1.20 8.464737295e+01 1.492775275e+02 1.315053481e+02 1.22 7.863850181e+01 1.345494226e+02 1.197321296e+02 1.24 7.322588315e+01 1.213194904e+02 1.090711764e+02 1.26 6.833231073e+01 1.094234731e+02 9.940123267e+01 1.28 6.389153189e+01 9.871644516e+01 9.061525146e+01 1.30 5.984649803e+01 8.907038329e+01 8.261864406e+01 1.32 5.614792357e+01 8.037206108e+01 7.532777059e+01 1.34 5.275309547e+01 7.252122225e+01 6.866863488e+01 1.36 4.962488711e+01 6.542899383e+01 6.257575344e+01 1.38 4.673093940e+01 5.901650564e+01 5.699117241e+01 1.40 4.404297926e+01 5.321368785e+01 5.186361027e+01 1.42 4.153625109e+01 4.795822214e+01 4.714770755e+01 1.44 3.918904190e+01 4.319462575e+01 4.280336718e+01 1.46 3.698228369e+01 3.887345063e+01 3.879517185e+01 1.48 3.489922026e+01 3.495058229e+01 3.509186633e+01 1.50 3.292512740e+01 3.138662531e+01 3.166589500e+01 1.52 3.104707754e+01 2.814636403e+01 2.849298596e+01 1.54 2.925374144e+01 2.519828891e+01 2.555177473e+01 1.56 2.753522054e+01 2.251417978e+01 2.282346194e+01 1.58 2.588290470e+01 2.006873904e+01 2.029150029e+01 1.60 2.428935085e+01 1.783926832e+01 1.794130735e+01 1.62 2.274817869e+01 1.580538315e+01 1.576000158e+01 1.64 2.125398006e+01 1.394876094e+01 1.373615990e+01 1.66 1.980223913e+01 1.225291819e+01 1.185959563e+01 1.68 1.838926106e+01 1.070301326e+01 1.012115638e+01 1.70 1.701210676e+01 9.285671653e+00 8.512541849e+00 1.72 1.566853212e+01 7.988831030e+00 7.026141608e+00 1.74 1.435693000e+01 6.801603709e+00 5.654895653e+00 1.76 1.307627376e+01 5.714154435e+00 4.400227746e+00 1.78 1.182606128e+01 4.717591694e+00 3.260076355e+00 1.80 1.060625864e+01 3.803870967e+00 2.224605725e+00 1.82 9.417242857e+00 2.965708539e+00 1.284689553e+00 1.84 8.259743520e+00 2.196504625e+00 4.318490998e-01 1.86 7.134783035e+00 1.490274774e+00 -3.418026144e-01 1.88 6.043615786e+00 8.415885864e-01 -1.043611183e+00 1.90 4.987666489e+00 2.455149211e-01 -1.680426329e+00 1.92 3.968468330e+00 -3.024271225e-01 -2.258643074e+00 1.94 2.987601613e+00 -8.063121090e-01 -2.784239017e+00 1.96 2.046633798e+00 -1.269847614e+00 -3.262808127e+00 1.98 1.147061918e+00 -1.696409511e+00 -3.699591404e+00 2.00 2.902584220e-01 -2.089073657e+00 -4.099504721e+00 2.02 1.929300248e-01 -2.450645667e+00 -4.184309545e+00 2.04 1.581913510e-02 -2.781167381e+00 -4.122865563e+00 2.06 -3.052573674e-01 -3.081339918e+00 -4.061032371e+00 2.08 -7.251435567e-01 -3.353752917e+00 -4.001880283e+00 2.10 -1.180505921e+00 -3.600897366e+00 -3.948269732e+00 2.12 -1.611995818e+00 -3.825170256e+00 -3.902781296e+00 2.14 -1.992069472e+00 -4.028878966e+00 -3.867619733e+00 2.16 -2.323986417e+00 -4.214245421e+00 -3.844497682e+00 2.18 -2.611864932e+00 -4.356734097e+00 -3.834512983e+00 2.20 -2.859670965e+00 -4.441073130e+00 -3.838041554e+00 2.22 -3.071224622e+00 -4.508778011e+00 -3.854166695e+00 2.24 -3.250206285e+00 -4.562075208e+00 -3.880653376e+00 2.26 -3.400162389e+00 -4.603129277e+00 -3.915673195e+00 2.28 -3.524510876e+00 -4.634048074e+00 -3.956840253e+00 2.30 -3.626546338e+00 -4.656883914e+00 -4.001319904e+00 2.32 -3.709444889e+00 -4.673135269e+00 -4.045964927e+00 2.34 -3.776268765e+00 -4.683284366e+00 -4.087436691e+00 2.36 -3.829970679e+00 -4.687712513e+00 -4.123609431e+00 2.38 -3.873397950e+00 -4.686822225e+00 -4.154644104e+00 2.40 -3.909038956e+00 -4.681040281e+00 -4.180868891e+00 2.42 -3.937889617e+00 -4.670820924e+00 -4.202542063e+00 2.44 -3.960430223e+00 -4.656649172e+00 -4.219890180e+00 2.46 -3.977117209e+00 -4.639044173e+00 -4.233412314e+00 2.48 -3.988384050e+00 -4.618562529e+00 -4.243623500e+00 2.50 -3.994641725e+00 -4.595800380e+00 -4.250993148e+00 2.52 -3.996279148e+00 -4.571204334e+00 -4.255946089e+00 2.54 -3.993663597e+00 -4.544833323e+00 -4.258575752e+00 2.56 -3.987141125e+00 -4.516694120e+00 -4.258783022e+00 2.58 -3.977036946e+00 -4.486792325e+00 -4.256470125e+00 2.60 -3.963655817e+00 -4.455132219e+00 -4.251543245e+00 2.62 -3.947282389e+00 -4.421716621e+00 -4.243912470e+00 2.64 -3.928181544e+00 -4.386546713e+00 -4.233491753e+00 2.66 -3.906598693e+00 -4.349621885e+00 -4.220198878e+00 2.68 -3.882760050e+00 -4.310939537e+00 -4.203955440e+00 2.70 -3.856872849e+00 -4.270494904e+00 -4.184686830e+00 2.72 -3.829125521e+00 -4.228280849e+00 -4.162349961e+00 2.74 -3.799687792e+00 -4.184287661e+00 -4.137110825e+00 2.76 -3.768711639e+00 -4.138502841e+00 -4.109225243e+00 2.78 -3.736397103e+00 -4.090910885e+00 -4.078944185e+00 2.80 -3.703040297e+00 -4.041538594e+00 -4.046513671e+00 2.82 -3.668938657e+00 -3.990559257e+00 -4.012175148e+00 2.84 -3.634381284e+00 -3.938168323e+00 -3.976165868e+00 2.86 -3.599649233e+00 -3.884551109e+00 -3.938719263e+00 2.88 -3.565015799e+00 -3.829882791e+00 -3.900047443e+00 2.90 -3.530730321e+00 -3.774328346e+00 -3.860240017e+00 2.92 -3.496804318e+00 -3.718042544e+00 -3.819338364e+00 2.94 -3.463079011e+00 -3.661169877e+00 -3.777386369e+00 2.96 -3.429395975e+00 -3.603844506e+00 -3.734432475e+00 2.98 -3.395601085e+00 -3.546190220e+00 -3.690533691e+00 3.00 -3.361544377e+00 -3.488320361e+00 -3.645735841e+00 3.02 -3.327079901e+00 -3.430337753e+00 -3.600043104e+00 3.04 -3.292065603e+00 -3.372334618e+00 -3.553452760e+00 3.06 -3.256363187e+00 -3.314392497e+00 -3.505987811e+00 3.08 -3.219837999e+00 -3.256582143e+00 -3.457716445e+00 3.10 -3.182358918e+00 -3.198963399e+00 -3.408709887e+00 3.12 -3.143798231e+00 -3.141585054e+00 -3.359037592e+00 3.14 -3.104031527e+00 -3.084484667e+00 -3.308767300e+00 3.16 -3.062937606e+00 -3.027688344e+00 -3.257965089e+00 3.18 -3.020398371e+00 -2.971210459e+00 -3.206695440e+00 3.20 -2.976298732e+00 -2.915055637e+00 -3.155021269e+00 3.22 -2.930553355e+00 -2.859283366e+00 -3.103004000e+00 3.24 -2.883304895e+00 -2.804021170e+00 -3.050703589e+00 3.26 -2.834805488e+00 -2.749397263e+00 -2.998178590e+00 3.28 -2.785302037e+00 -2.695536781e+00 -2.945486188e+00 3.30 -2.735035515e+00 -2.642561833e+00 -2.892682245e+00 3.32 -2.684241154e+00 -2.590591293e+00 -2.839821355e+00 3.34 -2.633148614e+00 -2.539692256e+00 -2.786956867e+00 3.36 -2.581982147e+00 -2.489832417e+00 -2.734140905e+00 3.38 -2.530960768e+00 -2.440968583e+00 -2.681424435e+00 3.40 -2.480297279e+00 -2.393058815e+00 -2.628857323e+00 3.42 -2.430123900e+00 -2.346062206e+00 -2.576488348e+00 3.44 -2.380447901e+00 -2.299938608e+00 -2.524365160e+00 3.46 -2.331265392e+00 -2.254649292e+00 -2.472534420e+00 3.48 -2.282572629e+00 -2.210156158e+00 -2.421041885e+00 3.50 -2.234366016e+00 -2.166422038e+00 -2.369932174e+00 3.52 -2.186642109e+00 -2.123411146e+00 -2.319249057e+00 3.54 -2.139397649e+00 -2.081087698e+00 -2.269035527e+00 3.56 -2.092629595e+00 -2.039418003e+00 -2.219333379e+00 3.58 -2.046334927e+00 -1.998367747e+00 -2.170183945e+00 3.60 -2.000510753e+00 -1.957905101e+00 -2.121627430e+00 3.62 -1.955154532e+00 -1.917997176e+00 -2.073703338e+00 3.64 -1.910263775e+00 -1.878614040e+00 -2.026442064e+00 3.66 -1.865835875e+00 -1.839723910e+00 -1.979837585e+00 3.68 -1.821868896e+00 -1.801298984e+00 -1.933875548e+00 3.70 -1.778360646e+00 -1.763308295e+00 -1.888541163e+00 3.72 -1.735308946e+00 -1.725725965e+00 -1.843821101e+00 3.74 -1.692712592e+00 -1.688522543e+00 -1.799701227e+00 3.76 -1.650569075e+00 -1.651672067e+00 -1.756168869e+00 3.78 -1.608877925e+00 -1.615149892e+00 -1.713211316e+00 3.80 -1.567636605e+00 -1.578926773e+00 -1.670815616e+00 3.82 -1.526845191e+00 -1.542983071e+00 -1.628971244e+00 3.84 -1.486501055e+00 -1.507290870e+00 -1.587664613e+00 3.86 -1.446605234e+00 -1.471825001e+00 -1.546886604e+00 3.88 -1.407154340e+00 -1.436570815e+00 -1.506625232e+00 3.90 -1.368151137e+00 -1.401497170e+00 -1.466868784e+00 3.92 -1.329591041e+00 -1.366580872e+00 -1.427611282e+00 3.94 -1.291477781e+00 -1.331813545e+00 -1.388838673e+00 3.96 -1.253808411e+00 -1.297167383e+00 -1.350540559e+00 3.98 -1.216581639e+00 -1.262607060e+00 -1.312716368e+00 4.00 -1.179805136e+00 -1.228130687e+00 -1.275348505e+00 4.02 -1.143467587e+00 -1.193742889e+00 -1.238425860e+00 4.04 -1.107575534e+00 -1.159369671e+00 -1.201950656e+00 4.06 -1.072139445e+00 -1.124990050e+00 -1.165921679e+00 4.08 -1.037135947e+00 -1.090656911e+00 -1.130300167e+00 4.10 -1.002578831e+00 -1.056450359e+00 -1.095086849e+00 4.12 -9.684958459e-01 -1.022120605e+00 -1.060308767e+00 4.14 -9.348349958e-01 -9.871332697e-01 -1.025981355e+00 4.16 -9.015973392e-01 -9.522392748e-01 -9.917037961e-01 4.18 -8.688414297e-01 -9.181011034e-01 -9.575863868e-01 4.20 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