# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Cu # implementation = 2018--Jeong-G-U--Pd-Cu--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 Cu Cu Cu Pd Pd Pd 0.02 1.066119306e+03 2.075442543e+02 7.208659229e+03 0.04 1.004671348e+03 2.266236346e+02 6.755898971e+03 0.06 9.466267829e+02 2.422419833e+02 6.330843010e+03 0.08 8.918022713e+02 2.547624686e+02 5.931830628e+03 0.10 8.400241295e+02 2.645165820e+02 5.557298933e+03 0.12 7.911278323e+02 2.718066419e+02 5.205777187e+03 0.14 7.449575395e+02 2.769081127e+02 4.875881459e+03 0.16 7.013656463e+02 2.800717503e+02 4.566309580e+03 0.18 6.602123568e+02 2.815255873e+02 4.275836390e+03 0.20 6.213652788e+02 2.814767694e+02 4.003309258e+03 0.22 5.846990398e+02 2.801132535e+02 3.747643854e+03 0.24 5.500949221e+02 2.776053771e+02 3.507820169e+03 0.26 5.174405169e+02 2.741073090e+02 3.282878761e+03 0.28 4.866293958e+02 2.697583889e+02 3.071917217e+03 0.30 4.575607991e+02 2.646843652e+02 2.874086819e+03 0.32 4.301393402e+02 2.589985367e+02 2.688589402e+03 0.34 4.042747250e+02 2.528028071e+02 2.514674393e+03 0.36 3.798814858e+02 2.461886566e+02 2.351636018e+03 0.38 3.568787286e+02 2.392380394e+02 2.198810678e+03 0.40 3.351898939e+02 2.320242091e+02 2.055574465e+03 0.42 3.147425291e+02 2.246124803e+02 1.921340836e+03 0.44 2.954680730e+02 2.170609296e+02 1.795558404e+03 0.46 2.773016517e+02 2.094210412e+02 1.677708876e+03 0.48 2.601818841e+02 2.017382999e+02 1.567305096e+03 0.50 2.440506985e+02 1.940527377e+02 1.463889208e+03 0.52 2.288531578e+02 1.863994354e+02 1.367030925e+03 0.54 2.145372944e+02 1.788089832e+02 1.276325897e+03 0.56 2.010539530e+02 1.713079046e+02 1.191394177e+03 0.58 1.883566421e+02 1.639190439e+02 1.111878773e+03 0.60 1.764013932e+02 1.566619228e+02 1.037444287e+03 0.62 1.651466264e+02 1.495530668e+02 9.677756331e+02 0.64 1.545530243e+02 1.426063037e+02 9.025768263e+02 0.66 1.445834115e+02 1.358330372e+02 8.415698500e+02 0.68 1.352026409e+02 1.292424972e+02 7.844935828e+02 0.70 1.263774852e+02 1.228419683e+02 7.311027918e+02 0.72 1.180765353e+02 1.166369982e+02 6.811671834e+02 0.74 1.102701026e+02 1.106315885e+02 6.344705107e+02 0.76 1.029301274e+02 1.048283679e+02 5.908097330e+02 0.78 9.603009179e+01 9.922875044e+01 5.499942246e+02 0.80 8.954493681e+01 9.383307898e+01 5.118450305e+02 0.82 8.345098443e+01 8.864075592e+01 4.761941658e+02 0.84 7.772586333e+01 8.365036172e+01 4.428839563e+02 0.86 7.234843863e+01 7.885976229e+01 4.117664184e+02 0.88 6.729874536e+01 7.426620631e+01 3.827026754e+02 0.90 6.255792537e+01 6.986641313e+01 3.555624084e+02 0.92 5.810816765e+01 6.565665212e+01 3.302233397e+02 0.94 5.393265168e+01 6.163281423e+01 3.065707471e+02 0.96 5.001549391e+01 5.779047632e+01 2.844970065e+02 0.98 4.634169693e+01 5.412495889e+01 2.639011622e+02 1.00 4.289710146e+01 5.063137790e+01 2.446885226e+02 1.02 3.966834076e+01 4.730469100e+01 2.267702799e+02 1.04 3.664279756e+01 4.413973876e+01 2.100631524e+02 1.06 3.380856324e+01 4.113128142e+01 1.944890488e+02 1.08 3.115439916e+01 3.827403134e+01 1.799747511e+02 1.10 2.866970005e+01 3.556268178e+01 1.664516185e+02 1.12 2.634445942e+01 3.299193213e+01 1.538553070e+02 1.14 2.416923672e+01 3.055651014e+01 1.421255075e+02 1.16 2.213512629e+01 2.825119114e+01 1.312056982e+02 1.18 2.023372802e+01 2.607081486e+01 1.210429130e+02 1.20 1.845711952e+01 2.401029981e+01 1.115875235e+02 1.22 1.679782977e+01 2.206465561e+01 1.027930332e+02 1.24 1.524881429e+01 2.022899342e+01 9.461588600e+01 1.26 1.380343148e+01 1.849853465e+01 8.701528421e+01 1.28 1.245542040e+01 1.686861815e+01 7.995301907e+01 1.30 1.119887962e+01 1.533470602e+01 7.339331072e+01 1.32 1.002824731e+01 1.389238816e+01 6.730265819e+01 1.34 8.938282319e+00 1.253738580e+01 6.164969832e+01 1.36 7.924046315e+00 1.126555392e+01 5.640507333e+01 1.38 6.980886923e+00 1.007288292e+01 5.154130644e+01 1.40 6.104421728e+00 8.955499403e+00 4.703268497e+01 1.42 5.290523166e+00 7.909666352e+00 4.285515067e+01 1.44 4.535304244e+00 6.931782657e+00 3.898619665e+01 1.46 3.835105026e+00 6.018382118e+00 3.540477063e+01 1.48 3.186479861e+00 5.166131983e+00 3.209118411e+01 1.50 2.586185314e+00 4.371831086e+00 2.902702710e+01 1.52 2.031168751e+00 3.632407633e+00 2.619508805e+01 1.54 1.518557556e+00 2.944916694e+00 2.357927868e+01 1.56 1.045648939e+00 2.306537450e+00 2.116456350e+01 1.58 6.099003097e-01 1.714570233e+00 1.893689355e+01 1.60 2.089201803e-01 1.166433398e+00 1.688314429e+01 1.62 -1.595404234e-01 6.596600687e-01 1.499105735e+01 1.64 -4.975960758e-01 1.918947865e-01 1.324918575e+01 1.66 -8.072346133e-01 -2.391099142e-01 1.164684262e+01 1.68 -1.090324369e+00 -6.354969685e-01 1.017405306e+01 1.70 -1.348621004e+00 -9.993082653e-01 8.821508930e+00 1.72 -1.583773958e+00 -1.332488131e+00 7.580526509e+00 1.74 -1.797332547e+00 -1.636886793e+00 6.443006742e+00 1.76 -1.990751710e+00 -1.914263817e+00 5.401397963e+00 1.78 -2.165397455e+00 -2.166291491e+00 4.448660942e+00 1.80 -2.322551993e+00 -2.394558158e+00 3.578236097e+00 1.82 -2.463418597e+00 -2.600571486e+00 2.784012752e+00 1.84 -2.589126195e+00 -2.785761665e+00 2.060300312e+00 1.86 -2.700733712e+00 -2.951484533e+00 1.401801225e+00 1.88 -2.799234184e+00 -3.099024617e+00 8.035856388e-01 1.90 -2.885558640e+00 -3.229598099e+00 2.610676301e-01 1.92 -2.960579781e+00 -3.344355697e+00 -2.300170858e-01 1.94 -3.025115461e+00 -3.444385464e+00 -6.736320572e-01 1.96 -3.079931972e+00 -3.530715503e+00 -1.073459701e+00 1.98 -3.125747154e+00 -3.604316601e+00 -1.432919695e+00 2.00 -3.163233332e+00 -3.666104783e+00 -1.755186226e+00 2.02 -3.193020082e+00 -3.716943778e+00 -2.043204186e+00 2.04 -3.215696844e+00 -3.757647417e+00 -2.299704360e+00 2.06 -3.231815381e+00 -3.788981943e+00 -2.527217700e+00 2.08 -3.241892088e+00 -3.811668253e+00 -2.728088720e+00 2.10 -3.246410167e+00 -3.826384053e+00 -2.904488079e+00 2.12 -3.245821659e+00 -3.833765954e+00 -3.058424418e+00 2.14 -3.240549352e+00 -3.834411478e+00 -3.191755474e+00 2.16 -3.230988569e+00 -3.828881010e+00 -3.306198544e+00 2.18 -3.217508832e+00 -3.817699663e+00 -3.403340315e+00 2.20 -3.200455427e+00 -3.801359085e+00 -3.484646127e+00 2.22 -3.180150852e+00 -3.780319191e+00 -3.551468674e+00 2.24 -3.156896181e+00 -3.755009835e+00 -3.605056199e+00 2.26 -3.130972333e+00 -3.725832408e+00 -3.646560198e+00 2.28 -3.102641258e+00 -3.693161378e+00 -3.677042653e+00 2.30 -3.072147051e+00 -3.657345766e+00 -3.697482835e+00 2.32 -3.039716986e+00 -3.618710560e+00 -3.708783675e+00 2.34 -3.005562503e+00 -3.577558070e+00 -3.711777729e+00 2.36 -2.969880120e+00 -3.534169224e+00 -3.707232748e+00 2.38 -2.932852305e+00 -3.488804808e+00 -3.695856871e+00 2.40 -2.894648295e+00 -3.441706658e+00 -3.678303445e+00 2.42 -2.855424874e+00 -3.393098788e+00 -3.655175482e+00 2.44 -2.815327112e+00 -3.343188475e+00 -3.627029778e+00 2.46 -2.774489064e+00 -3.292167298e+00 -3.594380682e+00 2.48 -2.733034443e+00 -3.240212118e+00 -3.557703547e+00 2.50 -2.691077258e+00 -3.187486024e+00 -3.517437866e+00 2.52 -2.648722425e+00 -3.134139230e+00 -3.473990115e+00 2.54 -2.606066348e+00 -3.080309926e+00 -3.427736314e+00 2.56 -2.563197478e+00 -3.026125094e+00 -3.379024326e+00 2.58 -2.520196842e+00 -2.971701275e+00 -3.328175919e+00 2.60 -2.477138553e+00 -2.917145302e+00 -3.275488612e+00 2.62 -2.434090290e+00 -2.862554991e+00 -3.221237325e+00 2.64 -2.391113758e+00 -2.808019793e+00 -3.165675859e+00 2.66 -2.348265121e+00 -2.753621409e+00 -3.109038228e+00 2.68 -2.305595413e+00 -2.699434362e+00 -3.051539873e+00 2.70 -2.263150925e+00 -2.645526540e+00 -2.993378765e+00 2.72 -2.220973570e+00 -2.591959695e+00 -2.934736435e+00 2.74 -2.179101221e+00 -2.538789907e+00 -2.875778929e+00 2.76 -2.137568031e+00 -2.486068013e+00 -2.816657718e+00 2.78 -2.096404727e+00 -2.433840002e+00 -2.757510567e+00 2.80 -2.055638885e+00 -2.382147378e+00 -2.698462367e+00 2.82 -2.015295184e+00 -2.331027486e+00 -2.639625950e+00 2.84 -1.975395634e+00 -2.280513811e+00 -2.581102876e+00 2.86 -1.935959798e+00 -2.230636253e+00 -2.522984195e+00 2.88 -1.897004982e+00 -2.181421372e+00 -2.465351195e+00 2.90 -1.858546414e+00 -2.132892608e+00 -2.408276118e+00 2.92 -1.820597413e+00 -2.085070487e+00 -2.351822855e+00 2.94 -1.783169529e+00 -2.037972806e+00 -2.296047602e+00 2.96 -1.746272688e+00 -1.991614800e+00 -2.240999494e+00 2.98 -1.709915307e+00 -1.946009304e+00 -2.186721197e+00 3.00 -1.674104412e+00 -1.901166898e+00 -2.133249462e+00 3.02 -1.638845740e+00 -1.857096047e+00 -2.080615650e+00 3.04 -1.604143831e+00 -1.813803235e+00 -2.028846209e+00 3.06 -1.570002114e+00 -1.771293097e+00 -1.977963119e+00 3.08 -1.536422990e+00 -1.729568539e+00 -1.927984302e+00 3.10 -1.503407905e+00 -1.688630862e+00 -1.878924001e+00 3.12 -1.470957415e+00 -1.648479883e+00 -1.830793116e+00 3.14 -1.439071256e+00 -1.609114051e+00 -1.783599525e+00 3.16 -1.407748400e+00 -1.570530558e+00 -1.737348372e+00 3.18 -1.376987113e+00 -1.532725452e+00 -1.692042324e+00 3.20 -1.346785008e+00 -1.495693744e+00 -1.647681821e+00 3.22 -1.317139101e+00 -1.459429503e+00 -1.604265293e+00 3.24 -1.288045852e+00 -1.423925961e+00 -1.561789361e+00 3.26 -1.259501216e+00 -1.389175599e+00 -1.520249027e+00 3.28 -1.231500687e+00 -1.355170233e+00 -1.479637844e+00 3.30 -1.204039338e+00 -1.321901095e+00 -1.439948071e+00 3.32 -1.177111862e+00 -1.289358903e+00 -1.401170818e+00 3.34 -1.150712612e+00 -1.257533932e+00 -1.363296182e+00 3.36 -1.124835632e+00 -1.226416073e+00 -1.326313362e+00 3.38 -1.099474695e+00 -1.195994890e+00 -1.290210775e+00 3.40 -1.074623335e+00 -1.166259671e+00 -1.254976158e+00 3.42 -1.050274876e+00 -1.137199474e+00 -1.220596658e+00 3.44 -1.026422459e+00 -1.108803170e+00 -1.187058920e+00 3.46 -1.003059072e+00 -1.081059479e+00 -1.154349166e+00 3.48 -9.801775714e-01 -1.053957009e+00 -1.122453264e+00 3.50 -9.577707073e-01 -1.027484282e+00 -1.091356793e+00 3.52 -9.358311421e-01 -1.001629765e+00 -1.061045104e+00 3.54 -9.143514719e-01 -9.763818969e-01 -1.031503371e+00 3.56 -8.933242434e-01 -9.517291117e-01 -1.002716645e+00 3.58 -8.727419705e-01 -9.276598582e-01 -9.746698903e-01 3.60 -8.525971493e-01 -9.041626210e-01 -9.473480312e-01 3.62 -8.328822715e-01 -8.812259371e-01 -9.207359849e-01 3.64 -8.135898368e-01 -8.588384122e-01 -8.948186948e-01 3.66 -7.947123642e-01 -8.369887349e-01 -8.695811594e-01 3.68 -7.762424017e-01 -8.156656892e-01 -8.450084586e-01 3.70 -7.581725356e-01 -7.948581662e-01 -8.210857770e-01 3.72 -7.404953988e-01 -7.745551739e-01 -7.977984247e-01 3.74 -7.232036777e-01 -7.547458466e-01 -7.751318555e-01 3.76 -7.062901191e-01 -7.354194530e-01 -7.530716835e-01 3.78 -6.897475358e-01 -7.165654024e-01 -7.316036971e-01 3.80 -6.735688115e-01 -6.981732517e-01 -7.107138715e-01 3.82 -6.577469061e-01 -6.802327100e-01 -6.903883795e-01 3.84 -6.422748589e-01 -6.627336432e-01 -6.706136011e-01 3.86 -6.271457926e-01 -6.456660780e-01 -6.513761308e-01 3.88 -6.123529163e-01 -6.290202048e-01 -6.326627846e-01 3.90 -5.978895279e-01 -6.127863798e-01 -6.144606056e-01 3.92 -5.837490166e-01 -5.969551279e-01 -5.967568681e-01 3.94 -5.699248649e-01 -5.815171433e-01 -5.795390813e-01 3.96 -5.564106498e-01 -5.664632908e-01 -5.627949918e-01 3.98 -5.432000446e-01 -5.517846064e-01 -5.465125855e-01 4.00 -5.302868197e-01 -5.374722976e-01 -5.306800890e-01 4.02 -5.176648432e-01 -5.235177430e-01 -5.152859696e-01 4.04 -5.053280819e-01 -5.099124920e-01 -5.003189356e-01 4.06 -4.932706013e-01 -4.966482639e-01 -4.857679354e-01 4.08 -4.814865662e-01 -4.837169474e-01 -4.716221570e-01 4.10 -4.699702402e-01 -4.711105987e-01 -4.578710260e-01 4.12 -4.587159860e-01 -4.588214405e-01 -4.445042038e-01 4.14 -4.477182649e-01 -4.468418603e-01 -4.315115861e-01 4.16 -4.369716365e-01 -4.351644087e-01 -4.188832996e-01 4.18 -4.264707582e-01 -4.237817973e-01 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