# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Al # implementation = 2018--Jeong-G-U--Pd-Al--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 Al Al Al Pd Pd Pd 0.02 4.975659969e+02 -2.276782351e+02 7.208659229e+03 0.04 4.734661694e+02 -1.825744838e+02 6.755898971e+03 0.06 4.504710498e+02 -1.424485364e+02 6.330843010e+03 0.08 4.285317607e+02 -1.068517365e+02 5.931830628e+03 0.10 4.076015263e+02 -7.537170439e+01 5.557298933e+03 0.12 3.876355837e+02 -4.762960152e+01 5.205777187e+03 0.14 3.685910993e+02 -2.327759069e+01 4.875881459e+03 0.16 3.504270874e+02 -1.996479616e+00 4.566309580e+03 0.18 3.331043327e+02 1.650646562e+01 4.275836390e+03 0.20 3.165853158e+02 3.249954872e+01 4.003309258e+03 0.22 3.008341417e+02 4.622852403e+01 3.747643854e+03 0.24 2.858164714e+02 5.791834040e+01 3.507820169e+03 0.26 2.714994565e+02 6.777475762e+01 3.282878761e+03 0.28 2.578516757e+02 7.598584426e+01 3.071917217e+03 0.30 2.448430748e+02 8.272336548e+01 2.874086819e+03 0.32 2.324449089e+02 8.814406829e+01 2.688589402e+03 0.34 2.206296864e+02 9.239087174e+01 2.514674393e+03 0.36 2.093711163e+02 9.559396854e+01 2.351636018e+03 0.38 1.986440572e+02 9.787184464e+01 2.198810678e+03 0.40 1.884244678e+02 9.933222242e+01 2.055574465e+03 0.42 1.786893609e+02 1.000729330e+02 1.921340836e+03 0.44 1.694167576e+02 1.001827227e+02 1.795558404e+03 0.46 1.605856451e+02 9.974199871e+01 1.677708876e+03 0.48 1.521759346e+02 9.882351748e+01 1.567305096e+03 0.50 1.441684226e+02 9.749302115e+01 1.463889208e+03 0.52 1.365447521e+02 9.580982477e+01 1.367030925e+03 0.54 1.292873771e+02 9.382735848e+01 1.276325897e+03 0.56 1.223795272e+02 9.159366758e+01 1.191394177e+03 0.58 1.158051746e+02 8.915187385e+01 1.111878773e+03 0.60 1.095490020e+02 8.654060072e+01 1.037444287e+03 0.62 1.035963721e+02 8.379436514e+01 9.677756331e+02 0.64 9.793329796e+01 8.094393844e+01 9.025768263e+02 0.66 9.254641540e+01 7.801667861e+01 8.415698500e+02 0.68 8.742295569e+01 7.503683605e+01 7.844935828e+02 0.70 8.255071991e+01 7.202583479e+01 7.311027918e+02 0.72 7.791805425e+01 6.900253100e+01 6.811671834e+02 0.74 7.351382635e+01 6.598345053e+01 6.344705107e+02 0.76 6.932740264e+01 6.298300703e+01 5.908097330e+02 0.78 6.534862665e+01 6.001370217e+01 5.499942246e+02 0.80 6.156779821e+01 5.708630918e+01 5.118450305e+02 0.82 5.797565358e+01 5.421004123e+01 4.761941658e+02 0.84 5.456334641e+01 5.139270559e+01 4.428839563e+02 0.86 5.132242944e+01 4.864084471e+01 4.117664184e+02 0.88 4.824483708e+01 4.595986539e+01 3.827026754e+02 0.90 4.532286866e+01 4.335415676e+01 3.555624084e+02 0.92 4.254917243e+01 4.082719800e+01 3.302233397e+02 0.94 3.991673023e+01 3.838165677e+01 3.065707471e+02 0.96 3.741884280e+01 3.601947882e+01 2.844970065e+02 0.98 3.504911575e+01 3.374196969e+01 2.639011622e+02 1.00 3.280144610e+01 3.154986903e+01 2.446885226e+02 1.02 3.067000940e+01 2.944341814e+01 2.267702799e+02 1.04 2.864924742e+01 2.742242134e+01 2.100631524e+02 1.06 2.673385638e+01 2.548630160e+01 1.944890488e+02 1.08 2.491877560e+01 2.363415092e+01 1.799747511e+02 1.10 2.319917678e+01 2.186477591e+01 1.664516185e+02 1.12 2.157045361e+01 2.017673898e+01 1.538553070e+02 1.14 2.002821191e+01 1.856839544e+01 1.421255075e+02 1.16 1.856826020e+01 1.703792695e+01 1.312056982e+02 1.18 1.718660058e+01 1.558337152e+01 1.210429130e+02 1.20 1.587942018e+01 1.420265048e+01 1.115875235e+02 1.22 1.464308283e+01 1.289359254e+01 1.027930332e+02 1.24 1.347412117e+01 1.165395537e+01 9.461588600e+01 1.26 1.236922912e+01 1.048144469e+01 8.701528421e+01 1.28 1.132525461e+01 9.373731327e+00 7.995301907e+01 1.30 1.033919273e+01 8.328466258e+00 7.339331072e+01 1.32 9.408179100e+00 7.343293873e+00 6.730265819e+01 1.34 8.529483585e+00 6.415863634e+00 6.164969832e+01 1.36 7.700504237e+00 5.543840272e+00 5.640507333e+01 1.38 6.918761553e+00 4.724912637e+00 5.154130644e+01 1.40 6.181892947e+00 3.956801359e+00 4.703268497e+01 1.42 5.487647480e+00 3.237265412e+00 4.285515067e+01 1.44 4.833880805e+00 2.564107702e+00 3.898619665e+01 1.46 4.218550340e+00 1.935179772e+00 3.540477063e+01 1.48 3.639710637e+00 1.348385703e+00 3.209118411e+01 1.50 3.095508956e+00 8.016853154e-01 2.902702710e+01 1.52 2.584181020e+00 2.930967206e-01 2.619508805e+01 1.54 2.104046959e+00 -1.793016922e-01 2.357927868e+01 1.56 1.653507419e+00 -6.173697781e-01 2.116456350e+01 1.58 1.231039842e+00 -1.022904611e+00 1.893689355e+01 1.60 8.351949006e-01 -1.397639855e+00 1.688314429e+01 1.62 4.645930979e-01 -1.743245490e+00 1.499105735e+01 1.64 1.179215029e-01 -2.061327849e+00 1.324918575e+01 1.66 -2.060693613e-01 -2.353429918e+00 1.164684262e+01 1.68 -5.085684934e-01 -2.621031877e+00 1.017405306e+01 1.70 -7.907072559e-01 -2.865551847e+00 8.821508930e+00 1.72 -1.053562087e+00 -3.088346800e+00 7.580526509e+00 1.74 -1.298157086e+00 -3.290713631e+00 6.443006742e+00 1.76 -1.525466484e+00 -3.473890343e+00 5.401397963e+00 1.78 -1.736416992e+00 -3.639057346e+00 4.448660942e+00 1.80 -1.931890042e+00 -3.787338831e+00 3.578236097e+00 1.82 -2.112723920e+00 -3.919804223e+00 2.784012752e+00 1.84 -2.279715801e+00 -4.037469681e+00 2.060300312e+00 1.86 -2.433623681e+00 -4.141299644e+00 1.401801225e+00 1.88 -2.575168220e+00 -4.232208405e+00 8.035856388e-01 1.90 -2.705034493e+00 -4.311061706e+00 2.610676301e-01 1.92 -2.823873667e+00 -4.378678352e+00 -2.300170858e-01 1.94 -2.932304585e+00 -4.435831820e+00 -6.736320572e-01 1.96 -3.030915285e+00 -4.483251884e+00 -1.073459701e+00 1.98 -3.120264438e+00 -4.521626226e+00 -1.432919695e+00 2.00 -3.200882732e+00 -4.551602046e+00 -1.755186226e+00 2.02 -3.273274177e+00 -4.573787666e+00 -2.043204186e+00 2.04 -3.337917358e+00 -4.588754123e+00 -2.299704360e+00 2.06 -3.395266630e+00 -4.597036757e+00 -2.527217700e+00 2.08 -3.445753254e+00 -4.599136786e+00 -2.728088720e+00 2.10 -3.489786485e+00 -4.595522878e+00 -2.904488079e+00 2.12 -3.527754614e+00 -4.586632718e+00 -3.058424418e+00 2.14 -3.560025953e+00 -4.572874563e+00 -3.191755474e+00 2.16 -3.586949788e+00 -4.554628804e+00 -3.306198544e+00 2.18 -3.608857279e+00 -4.532249515e+00 -3.403340315e+00 2.20 -3.626062331e+00 -4.506066006e+00 -3.484646127e+00 2.22 -3.638862414e+00 -4.476384365e+00 -3.551468674e+00 2.24 -3.647539357e+00 -4.443488996e+00 -3.605056199e+00 2.26 -3.652360102e+00 -4.407644149e+00 -3.646560198e+00 2.28 -3.653577425e+00 -4.369095425e+00 -3.677042653e+00 2.30 -3.651430623e+00 -4.328071266e+00 -3.697482835e+00 2.32 -3.646146176e+00 -4.284784401e+00 -3.708783675e+00 2.34 -3.637938375e+00 -4.239433258e+00 -3.711777729e+00 2.36 -3.627009919e+00 -4.192203315e+00 -3.707232748e+00 2.38 -3.613552493e+00 -4.143268384e+00 -3.695856871e+00 2.40 -3.597747313e+00 -4.092791813e+00 -3.678303445e+00 2.42 -3.579765648e+00 -4.040927596e+00 -3.655175482e+00 2.44 -3.559769318e+00 -3.987821380e+00 -3.627029778e+00 2.46 -3.537911170e+00 -3.933611354e+00 -3.594380682e+00 2.48 -3.514335532e+00 -3.878429023e+00 -3.557703547e+00 2.50 -3.489178643e+00 -3.822399854e+00 -3.517437866e+00 2.52 -3.462569063e+00 -3.765643804e+00 -3.473990115e+00 2.54 -3.434628069e+00 -3.708275719e+00 -3.427736314e+00 2.56 -3.405470026e+00 -3.650405627e+00 -3.379024326e+00 2.58 -3.375202742e+00 -3.592138930e+00 -3.328175919e+00 2.60 -3.343927806e+00 -3.533576495e+00 -3.275488612e+00 2.62 -3.311740911e+00 -3.474814689e+00 -3.221237325e+00 2.64 -3.278732161e+00 -3.415945345e+00 -3.165675859e+00 2.66 -3.244986358e+00 -3.357055696e+00 -3.109038228e+00 2.68 -3.210583283e+00 -3.298228288e+00 -3.051539873e+00 2.70 -3.175597959e+00 -3.239540885e+00 -2.993378765e+00 2.72 -3.140100899e+00 -3.181066394e+00 -2.934736435e+00 2.74 -3.104158342e+00 -3.122872801e+00 -2.875778929e+00 2.76 -3.067832486e+00 -3.065023145e+00 -2.816657718e+00 2.78 -3.031181694e+00 -3.007575534e+00 -2.757510567e+00 2.80 -2.994260704e+00 -2.950583193e+00 -2.698462367e+00 2.82 -2.957120820e+00 -2.894094565e+00 -2.639625950e+00 2.84 -2.919810094e+00 -2.838153440e+00 -2.581102876e+00 2.86 -2.882373503e+00 -2.782799136e+00 -2.522984195e+00 2.88 -2.844853116e+00 -2.728066693e+00 -2.465351195e+00 2.90 -2.807288246e+00 -2.673987102e+00 -2.408276118e+00 2.92 -2.769715602e+00 -2.620587552e+00 -2.351822855e+00 2.94 -2.732169432e+00 -2.567891678e+00 -2.296047602e+00 2.96 -2.694681656e+00 -2.515919820e+00 -2.240999494e+00 2.98 -2.657281992e+00 -2.464689276e+00 -2.186721197e+00 3.00 -2.619998079e+00 -2.414214550e+00 -2.133249462e+00 3.02 -2.582855589e+00 -2.364507589e+00 -2.080615650e+00 3.04 -2.545878339e+00 -2.315578001e+00 -2.028846209e+00 3.06 -2.509088392e+00 -2.267433264e+00 -1.977963119e+00 3.08 -2.472506156e+00 -2.220078919e+00 -1.927984302e+00 3.10 -2.436150476e+00 -2.173518743e+00 -1.878924001e+00 3.12 -2.400038722e+00 -2.127754907e+00 -1.830793116e+00 3.14 -2.364186873e+00 -2.082788127e+00 -1.783599525e+00 3.16 -2.328609594e+00 -2.038617792e+00 -1.737348372e+00 3.18 -2.293320316e+00 -1.995242089e+00 -1.692042324e+00 3.20 -2.258331301e+00 -1.952658109e+00 -1.647681821e+00 3.22 -2.223653713e+00 -1.910861952e+00 -1.604265293e+00 3.24 -2.189297682e+00 -1.869848822e+00 -1.561789361e+00 3.26 -2.155272363e+00 -1.829613106e+00 -1.520249027e+00 3.28 -2.121585992e+00 -1.790148462e+00 -1.479637844e+00 3.30 -2.088245946e+00 -1.751447885e+00 -1.439948071e+00 3.32 -2.055258788e+00 -1.713503782e+00 -1.401170818e+00 3.34 -2.022630319e+00 -1.676308029e+00 -1.363296182e+00 3.36 -1.990365626e+00 -1.639852034e+00 -1.326313362e+00 3.38 -1.958469120e+00 -1.604126791e+00 -1.290210775e+00 3.40 -1.926944584e+00 -1.569122928e+00 -1.254976158e+00 3.42 -1.895795206e+00 -1.534830757e+00 -1.220596658e+00 3.44 -1.865023624e+00 -1.501240314e+00 -1.187058920e+00 3.46 -1.834631952e+00 -1.468341402e+00 -1.154349166e+00 3.48 -1.804621819e+00 -1.436123628e+00 -1.122453264e+00 3.50 -1.774994401e+00 -1.404576434e+00 -1.091356793e+00 3.52 -1.745750448e+00 -1.373689132e+00 -1.061045104e+00 3.54 -1.716890311e+00 -1.343450933e+00 -1.031503371e+00 3.56 -1.688413975e+00 -1.313850970e+00 -1.002716645e+00 3.58 -1.660321076e+00 -1.284878327e+00 -9.746698903e-01 3.60 -1.632610931e+00 -1.256522059e+00 -9.473480312e-01 3.62 -1.605282558e+00 -1.228771213e+00 -9.207359849e-01 3.64 -1.578334696e+00 -1.201614848e+00 -8.948186948e-01 3.66 -1.551765828e+00 -1.175042049e+00 -8.695811594e-01 3.68 -1.525574200e+00 -1.149041946e+00 -8.450084586e-01 3.70 -1.499757833e+00 -1.123603728e+00 -8.210857770e-01 3.72 -1.474314548e+00 -1.098716653e+00 -7.977984247e-01 3.74 -1.449241977e+00 -1.074370061e+00 -7.751318555e-01 3.76 -1.424537579e+00 -1.050553387e+00 -7.530716835e-01 3.78 -1.400198655e+00 -1.027256164e+00 -7.316036971e-01 3.80 -1.376222359e+00 -1.004468039e+00 -7.107138715e-01 3.82 -1.352605714e+00 -9.821787742e-01 -6.903883795e-01 3.84 -1.329345621e+00 -9.603782570e-01 -6.706136011e-01 3.86 -1.306438873e+00 -9.390565041e-01 -6.513761308e-01 3.88 -1.283882161e+00 -9.182036674e-01 -6.326627846e-01 3.90 -1.261672089e+00 -8.978100373e-01 -6.144606056e-01 3.92 -1.239805179e+00 -8.778660474e-01 -5.967568681e-01 3.94 -1.218277882e+00 -8.583622769e-01 -5.795390813e-01 3.96 -1.197086586e+00 -8.392894534e-01 -5.627949918e-01 3.98 -1.176227624e+00 -8.206384548e-01 -5.465125855e-01 4.00 -1.155697279e+00 -8.024003110e-01 -5.306800890e-01 4.02 -1.135491793e+00 -7.845662053e-01 -5.152859696e-01 4.04 -1.115607374e+00 -7.671274747e-01 -5.003189356e-01 4.06 -1.096040198e+00 -7.500756109e-01 -4.857679354e-01 4.08 -1.076786419e+00 -7.334022599e-01 -4.716221570e-01 4.10 -1.057842172e+00 -7.170992225e-01 -4.578710260e-01 4.12 -1.039203577e+00 -7.011584532e-01 -4.445042038e-01 4.14 -1.020866745e+00 -6.855720600e-01 -4.315115861e-01 4.16 -1.002827784e+00 -6.703323036e-01 -4.188832996e-01 4.18 -9.850827971e-01 -6.554315960e-01 -4.066096999e-01 4.20 -9.676278926e-01 -6.408624995e-01 -3.946813685e-01 4.22 -9.504591833e-01 -6.266177252e-01 -3.830891094e-01 4.24 -9.335727913e-01 -6.126901317e-01 -3.718239463e-01 4.26 -9.169648507e-01 -5.990727232e-01 -3.608771190e-01 4.28 -9.006315099e-01 -5.857586479e-01 -3.502400797e-01 4.30 -8.845689345e-01 -5.727411961e-01 -3.399044898e-01 4.32 -8.687733095e-01 -5.600137984e-01 -3.298622157e-01 4.34 -8.532408416e-01 -5.475700233e-01 -3.201053256e-01 4.36 -8.379677607e-01 -5.354035758e-01 -3.106260853e-01 4.38 -8.229503222e-01 -5.235082946e-01 -3.014169546e-01 4.40 -8.081848084e-01 -5.118781505e-01 -2.924705833e-01 4.42 -7.918514064e-01 -4.993388518e-01 -2.830438555e-01 4.44 -7.508854775e-01 -4.711491871e-01 -2.639678942e-01 4.46 -6.252937255e-01 -3.895671789e-01 -2.128602081e-01 4.48 -3.396220339e-01 -2.091435342e-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 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