# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Co # implementation = 2018--Jeong-G-U--Pd-Co--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 2022-05-24 r Co Co Co Pd Pd Pd 0.02 4.395216790e+02 1.352267862e+04 7.208659229e+03 0.04 4.168436775e+02 1.260405980e+04 6.755898971e+03 0.06 3.952557501e+02 1.174630498e+04 6.330843010e+03 0.08 3.747081264e+02 1.094547808e+04 5.931830628e+03 0.10 3.551532121e+02 1.019789112e+04 5.557298933e+03 0.12 3.365454973e+02 9.500089001e+03 5.205777187e+03 0.14 3.188414693e+02 8.848835266e+03 4.875881459e+03 0.16 3.019995279e+02 8.241098608e+03 4.566309580e+03 0.18 2.859799050e+02 7.674040246e+03 4.275836390e+03 0.20 2.707445869e+02 7.145002032e+03 4.003309258e+03 0.22 2.562572401e+02 6.651495266e+03 3.747643854e+03 0.24 2.424831398e+02 6.191190190e+03 3.507820169e+03 0.26 2.293891018e+02 5.761906101e+03 3.282878761e+03 0.28 2.169434166e+02 5.361602075e+03 3.071917217e+03 0.30 2.051157867e+02 4.988368237e+03 2.874086819e+03 0.32 1.938772659e+02 4.640417567e+03 2.688589402e+03 0.34 1.832002019e+02 4.316078203e+03 2.514674393e+03 0.36 1.730581807e+02 4.013786207e+03 2.351636018e+03 0.38 1.634259730e+02 3.732078777e+03 2.198810678e+03 0.40 1.542794837e+02 3.469587874e+03 2.055574465e+03 0.42 1.455957028e+02 3.225034233e+03 1.921340836e+03 0.44 1.373526585e+02 2.997221751e+03 1.795558404e+03 0.46 1.295293721e+02 2.785032209e+03 1.677708876e+03 0.48 1.221058154e+02 2.587420332e+03 1.567305096e+03 0.50 1.150628691e+02 2.403409140e+03 1.463889208e+03 0.52 1.083822831e+02 2.232085603e+03 1.367030925e+03 0.54 1.020466391e+02 2.072596549e+03 1.276325897e+03 0.56 9.603931373e+01 1.924144838e+03 1.191394177e+03 0.58 9.034444419e+01 1.785985770e+03 1.111878773e+03 0.60 8.494689466e+01 1.657423717e+03 1.037444287e+03 0.62 7.983222447e+01 1.537808969e+03 9.677756331e+02 0.64 7.498665749e+01 1.426534772e+03 9.025768263e+02 0.66 7.039705284e+01 1.323034554e+03 8.415698500e+02 0.68 6.605087681e+01 1.226779332e+03 7.844935828e+02 0.70 6.193617603e+01 1.137275270e+03 7.311027918e+02 0.72 5.804155170e+01 1.054061405e+03 6.811671834e+02 0.74 5.435613496e+01 9.767075055e+02 6.344705107e+02 0.76 5.086956333e+01 9.048120709e+02 5.908097330e+02 0.78 4.757195807e+01 8.380004593e+02 5.499942246e+02 0.80 4.445390263e+01 7.759231313e+02 5.118450305e+02 0.82 4.150642192e+01 7.182540070e+02 4.761941658e+02 0.84 3.872096249e+01 6.646889284e+02 4.428839563e+02 0.86 3.608937360e+01 6.149442195e+02 4.117664184e+02 0.88 3.360388909e+01 5.687553388e+02 3.827026754e+02 0.90 3.125710999e+01 5.258756186e+02 3.555624084e+02 0.92 2.904198795e+01 4.860750852e+02 3.302233397e+02 0.94 2.695180932e+01 4.491393553e+02 3.065707471e+02 0.96 2.498017999e+01 4.148686033e+02 2.844970065e+02 0.98 2.312101080e+01 3.830765957e+02 2.639011622e+02 1.00 2.136850371e+01 3.535897880e+02 2.446885226e+02 1.02 1.971713842e+01 3.262464799e+02 2.267702799e+02 1.04 1.816165972e+01 3.008960260e+02 2.100631524e+02 1.06 1.669706532e+01 2.773980974e+02 1.944890488e+02 1.08 1.531859421e+01 2.556219915e+02 1.799747511e+02 1.10 1.402171556e+01 2.354459875e+02 1.664516185e+02 1.12 1.280211811e+01 2.167567427e+02 1.538553070e+02 1.14 1.165570002e+01 1.994487303e+02 1.421255075e+02 1.16 1.057855917e+01 1.834237126e+02 1.312056982e+02 1.18 9.566983907e+00 1.685902491e+02 1.210429130e+02 1.20 8.617444190e+00 1.548632380e+02 1.115875235e+02 1.22 7.726583149e+00 1.421634866e+02 1.027930332e+02 1.24 6.891209013e+00 1.304173109e+02 9.461588600e+01 1.26 6.108287415e+00 1.195561618e+02 8.701528421e+01 1.28 5.374934036e+00 1.095162757e+02 7.995301907e+01 1.30 4.688407601e+00 1.002383483e+02 7.339331072e+01 1.32 4.046103192e+00 9.166723051e+01 6.730265819e+01 1.34 3.445545867e+00 8.375164445e+01 6.164969832e+01 1.36 2.884384591e+00 7.644391818e+01 5.640507333e+01 1.38 2.360386444e+00 6.969973849e+01 5.154130644e+01 1.40 1.871431114e+00 6.347792012e+01 4.703268497e+01 1.42 1.415505649e+00 5.774019049e+01 4.285515067e+01 1.44 9.906994766e-01 5.245098889e+01 3.898619665e+01 1.46 5.951996607e-01 4.757727922e+01 3.540477063e+01 1.48 2.272864059e-01 4.308837533e+01 3.209118411e+01 1.50 -1.146712114e-01 3.895577821e+01 2.902702710e+01 1.52 -4.322192870e-01 3.515302412e+01 2.619508805e+01 1.54 -7.268229181e-01 3.165554315e+01 2.357927868e+01 1.56 -9.998698236e-01 2.844052723e+01 2.116456350e+01 1.58 -1.252673764e+00 2.548680723e+01 1.893689355e+01 1.60 -1.486477767e+00 2.277473843e+01 1.688314429e+01 1.62 -1.702457169e+00 2.028609373e+01 1.499105735e+01 1.64 -1.901722473e+00 1.800396427e+01 1.324918575e+01 1.66 -2.085322041e+00 1.591266681e+01 1.164684262e+01 1.68 -2.254244625e+00 1.399765741e+01 1.017405306e+01 1.70 -2.409421740e+00 1.224545118e+01 8.821508930e+00 1.72 -2.551729900e+00 1.064354743e+01 7.580526509e+00 1.74 -2.681992725e+00 9.180360071e+00 6.443006742e+00 1.76 -2.800982927e+00 7.845152756e+00 5.401397963e+00 1.78 -2.909424193e+00 6.627978586e+00 4.448660942e+00 1.80 -3.007992986e+00 5.519623950e+00 3.578236097e+00 1.82 -3.097320269e+00 4.511556275e+00 2.784012752e+00 1.84 -3.177993176e+00 3.595875424e+00 2.060300312e+00 1.86 -3.250556651e+00 2.765268472e+00 1.401801225e+00 1.88 -3.315515064e+00 2.012967642e+00 8.035856388e-01 1.90 -3.373333835e+00 1.332711177e+00 2.610676301e-01 1.92 -3.424441071e+00 7.187069570e-01 -2.300170858e-01 1.94 -3.469229240e+00 1.655986532e-01 -6.736320572e-01 1.96 -3.508056897e+00 -3.315657351e-01 -1.073459701e+00 1.98 -3.541250489e+00 -7.773631445e-01 -1.432919695e+00 2.00 -3.569106236e+00 -1.176022655e+00 -1.755186226e+00 2.02 -3.591892140e+00 -1.531450792e+00 -2.043204186e+00 2.04 -3.609850124e+00 -1.847255046e+00 -2.299704360e+00 2.06 -3.623198337e+00 -2.126765755e+00 -2.527217700e+00 2.08 -3.632133665e+00 -2.373056437e+00 -2.728088720e+00 2.10 -3.636834471e+00 -2.588962709e+00 -2.904488079e+00 2.12 -3.637463570e+00 -2.777099873e+00 -3.058424418e+00 2.14 -3.634171473e+00 -2.939879270e+00 -3.191755474e+00 2.16 -3.627099829e+00 -3.079523484e+00 -3.306198544e+00 2.18 -3.616385035e+00 -3.198080475e+00 -3.403340315e+00 2.20 -3.602161869e+00 -3.297436716e+00 -3.484646127e+00 2.22 -3.584566997e+00 -3.379329396e+00 -3.551468674e+00 2.24 -3.563742165e+00 -3.445357747e+00 -3.605056199e+00 2.26 -3.539836844e+00 -3.496993564e+00 -3.646560198e+00 2.28 -3.513010150e+00 -3.535590946e+00 -3.677042653e+00 2.30 -3.483431849e+00 -3.562395330e+00 -3.697482835e+00 2.32 -3.451282389e+00 -3.578551845e+00 -3.708783675e+00 2.34 -3.416751919e+00 -3.585113031e+00 -3.711777729e+00 2.36 -3.380038403e+00 -3.583045969e+00 -3.707232748e+00 2.38 -3.341344992e+00 -3.573238855e+00 -3.695856871e+00 2.40 -3.300876893e+00 -3.556507048e+00 -3.678303445e+00 2.42 -3.258838000e+00 -3.533598652e+00 -3.655175482e+00 2.44 -3.215427577e+00 -3.505199637e+00 -3.627029778e+00 2.46 -3.170837224e+00 -3.471938566e+00 -3.594380682e+00 2.48 -3.125248329e+00 -3.434390937e+00 -3.557703547e+00 2.50 -3.078830142e+00 -3.393083194e+00 -3.517437866e+00 2.52 -3.031738519e+00 -3.348496429e+00 -3.473990115e+00 2.54 -2.984115342e+00 -3.301069811e+00 -3.427736314e+00 2.56 -2.936088536e+00 -3.251203762e+00 -3.379024326e+00 2.58 -2.887772591e+00 -3.199262913e+00 -3.328175919e+00 2.60 -2.839269455e+00 -3.145578860e+00 -3.275488612e+00 2.62 -2.790669669e+00 -3.090452733e+00 -3.221237325e+00 2.64 -2.742053617e+00 -3.034157598e+00 -3.165675859e+00 2.66 -2.693492779e+00 -2.976940693e+00 -3.109038228e+00 2.68 -2.645050923e+00 -2.919025525e+00 -3.051539873e+00 2.70 -2.596785168e+00 -2.860613819e+00 -2.993378765e+00 2.72 -2.548746897e+00 -2.801887328e+00 -2.934736435e+00 2.74 -2.500982514e+00 -2.743009515e+00 -2.875778929e+00 2.76 -2.453534062e+00 -2.684127115e+00 -2.816657718e+00 2.78 -2.406439709e+00 -2.625371564e+00 -2.757510567e+00 2.80 -2.359734137e+00 -2.566860324e+00 -2.698462367e+00 2.82 -2.313448849e+00 -2.508698101e+00 -2.639625950e+00 2.84 -2.267612429e+00 -2.450977958e+00 -2.581102876e+00 2.86 -2.222250748e+00 -2.393782337e+00 -2.522984195e+00 2.88 -2.177387151e+00 -2.337183992e+00 -2.465351195e+00 2.90 -2.133042623e+00 -2.281246851e+00 -2.408276118e+00 2.92 -2.089235937e+00 -2.226026795e+00 -2.351822855e+00 2.94 -2.045983795e+00 -2.171572371e+00 -2.296047602e+00 2.96 -2.003300960e+00 -2.117925455e+00 -2.240999494e+00 2.98 -1.961200376e+00 -2.065121840e+00 -2.186721197e+00 3.00 -1.919693289e+00 -2.013191790e+00 -2.133249462e+00 3.02 -1.878789351e+00 -1.962160538e+00 -2.080615650e+00 3.04 -1.838496730e+00 -1.912048744e+00 -2.028846209e+00 3.06 -1.798822205e+00 -1.862872913e+00 -1.977963119e+00 3.08 -1.759771257e+00 -1.814645780e+00 -1.927984302e+00 3.10 -1.721348162e+00 -1.767376662e+00 -1.878924001e+00 3.12 -1.683556071e+00 -1.721071782e+00 -1.830793116e+00 3.14 -1.646397086e+00 -1.675734567e+00 -1.783599525e+00 3.16 -1.609872340e+00 -1.631365924e+00 -1.737348372e+00 3.18 -1.573982062e+00 -1.587964487e+00 -1.692042324e+00 3.20 -1.538725643e+00 -1.545526860e+00 -1.647681821e+00 3.22 -1.504101701e+00 -1.504047821e+00 -1.604265293e+00 3.24 -1.470108140e+00 -1.463520531e+00 -1.561789361e+00 3.26 -1.436742199e+00 -1.423936708e+00 -1.520249027e+00 3.28 -1.404000513e+00 -1.385286801e+00 -1.479637844e+00 3.30 -1.371879156e+00 -1.347560142e+00 -1.439948071e+00 3.32 -1.340373687e+00 -1.310745089e+00 -1.401170818e+00 3.34 -1.309479199e+00 -1.274829155e+00 -1.363296182e+00 3.36 -1.279190354e+00 -1.239799126e+00 -1.326313362e+00 3.38 -1.249501424e+00 -1.205641169e+00 -1.290210775e+00 3.40 -1.220406328e+00 -1.172340932e+00 -1.254976158e+00 3.42 -1.191898664e+00 -1.139883628e+00 -1.220596658e+00 3.44 -1.163971742e+00 -1.108254119e+00 -1.187058920e+00 3.46 -1.136618613e+00 -1.077436988e+00 -1.154349166e+00 3.48 -1.109832099e+00 -1.047416601e+00 -1.122453264e+00 3.50 -1.083604818e+00 -1.018177172e+00 -1.091356793e+00 3.52 -1.057929209e+00 -9.897028064e-01 -1.061045104e+00 3.54 -1.032797553e+00 -9.619775572e-01 -1.031503371e+00 3.56 -1.008201998e+00 -9.349854616e-01 -1.002716645e+00 3.58 -9.841345783e-01 -9.087105805e-01 -9.746698903e-01 3.60 -9.605872300e-01 -8.831370322e-01 -9.473480312e-01 3.62 -9.375518132e-01 -8.582490218e-01 -9.207359849e-01 3.64 -9.150201256e-01 -8.340308684e-01 -8.948186948e-01 3.66 -8.929839187e-01 -8.104670277e-01 -8.695811594e-01 3.68 -8.714349115e-01 -7.875421133e-01 -8.450084586e-01 3.70 -8.503648040e-01 -7.652409146e-01 -8.210857770e-01 3.72 -8.297652894e-01 -7.435484125e-01 -7.977984247e-01 3.74 -8.096280655e-01 -7.224497932e-01 -7.751318555e-01 3.76 -7.899448447e-01 -7.019304599e-01 -7.530716835e-01 3.78 -7.707073647e-01 -6.819760428e-01 -7.316036971e-01 3.80 -7.519073963e-01 -6.625724077e-01 -7.107138715e-01 3.82 -7.335367526e-01 -6.437056630e-01 -6.903883795e-01 3.84 -7.155872960e-01 -6.253621652e-01 -6.706136011e-01 3.86 -6.980509455e-01 -6.075285238e-01 -6.513761308e-01 3.88 -6.809196828e-01 -5.901916046e-01 -6.326627846e-01 3.90 -6.641855583e-01 -5.733385323e-01 -6.144606056e-01 3.92 -6.478406965e-01 -5.569566922e-01 -5.967568681e-01 3.94 -6.318773005e-01 -5.410337314e-01 -5.795390813e-01 3.96 -6.162876565e-01 -5.255575583e-01 -5.627949918e-01 3.98 -6.010641378e-01 -5.105163433e-01 -5.465125855e-01 4.00 -5.861992083e-01 -4.958985168e-01 -5.306800890e-01 4.02 -5.716854256e-01 -4.816927686e-01 -5.152859696e-01 4.04 -5.575154436e-01 -4.678880457e-01 -5.003189356e-01 4.06 -5.436820152e-01 -4.544735498e-01 -4.857679354e-01 4.08 -5.301779945e-01 -4.414387355e-01 -4.716221570e-01 4.10 -5.169963384e-01 -4.287733065e-01 -4.578710260e-01 4.12 -5.041301081e-01 -4.164672134e-01 -4.445042038e-01 4.14 -4.915724708e-01 -4.045106495e-01 -4.315115861e-01 4.16 -4.793167005e-01 -3.928940479e-01 -4.188832996e-01 4.18 -4.673561790e-01 -3.816080773e-01 -4.066096999e-01 4.20 -4.556843965e-01 -3.706436387e-01 -3.946813685e-01 4.22 -4.442949518e-01 -3.599918610e-01 -3.830891094e-01 4.24 -4.331815532e-01 -3.496440971e-01 -3.718239463e-01 4.26 -4.223380179e-01 -3.395919197e-01 -3.608771190e-01 4.28 -4.117582727e-01 -3.298271173e-01 -3.502400797e-01 4.30 -4.014363532e-01 -3.203416899e-01 -3.399044898e-01 4.32 -3.913664038e-01 -3.111278446e-01 -3.298622157e-01 4.34 -3.815426772e-01 -3.021779917e-01 -3.201053256e-01 4.36 -3.719595339e-01 -2.934847399e-01 -3.106260853e-01 4.38 -3.626114417e-01 -2.850408924e-01 -3.014169546e-01 4.40 -3.534929747e-01 -2.768394429e-01 -2.924705833e-01 4.42 -3.437785952e-01 -2.682376063e-01 -2.830438555e-01 4.44 -3.231688992e-01 -2.512809566e-01 -2.639678942e-01 4.46 -2.656271237e-01 -2.059748733e-01 -2.128602081e-01 4.48 -1.410645351e-01 -1.092664338e-01 -1.079698667e-01 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 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