# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Au3Pd # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 4.353515986e+02 nan nan 1.16 4.015834577e+02 nan nan 1.18 3.705214444e+02 nan nan 1.20 3.419211632e+02 nan nan 1.22 3.155643908e+02 nan nan 1.24 2.912567289e+02 nan nan 1.26 2.688236147e+02 nan nan 1.28 2.481070367e+02 3.792011317e+02 4.328805480e+02 1.30 2.289632194e+02 3.521828897e+02 4.027408326e+02 1.32 2.112608708e+02 3.271208536e+02 3.747590779e+02 1.34 1.948804579e+02 3.038585439e+02 3.487633018e+02 1.36 1.797141536e+02 2.822536111e+02 3.245973467e+02 1.38 1.656651721e+02 2.621762484e+02 3.021200241e+02 1.40 1.526460383e+02 2.435084260e+02 2.812040351e+02 1.42 1.405767272e+02 2.261430500e+02 2.617336308e+02 1.44 1.293836033e+02 2.099830107e+02 2.436019309e+02 1.46 1.189988840e+02 1.949401881e+02 2.267093589e+02 1.48 1.093599812e+02 1.809339269e+02 2.109631629e+02 1.50 1.004087282e+02 1.678890648e+02 1.962773242e+02 1.52 9.209085884e+01 1.557345615e+02 1.825725179e+02 1.54 8.435593187e+01 1.444033456e+02 1.697759395e+02 1.56 7.715760110e+01 1.338328417e+02 1.578209800e+02 1.58 7.045392034e+01 1.239654047e+02 1.466468823e+02 1.60 6.420738298e+01 1.147484054e+02 1.361982922e+02 1.62 5.841049065e+01 1.061340420e+02 1.264245718e+02 1.64 5.306695194e+01 9.807899339e+01 1.172790790e+02 1.66 4.815091143e+01 9.054398471e+01 1.087186854e+02 1.68 4.362945209e+01 8.349324031e+01 1.007034434e+02 1.70 3.947176757e+01 7.689381988e+01 9.319617036e+01 1.72 3.564913707e+01 7.071500979e+01 8.616199862e+01 1.74 3.213506829e+01 6.492799528e+01 7.956814465e+01 1.76 2.890539413e+01 5.951879906e+01 7.338397327e+01 1.78 2.593817722e+01 5.449468157e+01 6.758118347e+01 1.80 2.321341276e+01 4.984073428e+01 6.213524059e+01 1.82 2.071265074e+01 4.552990624e+01 5.705111348e+01 1.84 1.841868359e+01 4.153690805e+01 5.232752794e+01 1.86 1.631536700e+01 3.783857030e+01 4.794420318e+01 1.88 1.438756029e+01 3.441377301e+01 4.387794896e+01 1.90 1.262114158e+01 3.124330047e+01 4.010720319e+01 1.92 1.100304921e+01 2.830961684e+01 3.661168330e+01 1.94 9.521305729e+00 2.559659522e+01 3.337211476e+01 1.96 8.165000107e+00 2.308924219e+01 3.037013513e+01 1.98 6.924229429e+00 2.077346022e+01 2.758836813e+01 2.00 5.790016863e+00 1.863587983e+01 2.501056528e+01 2.02 4.754221563e+00 1.666377339e+01 2.262170781e+01 2.04 3.809446958e+00 1.484504272e+01 2.040802168e+01 2.06 2.948946647e+00 1.316825743e+01 1.835691612e+01 2.08 2.166526486e+00 1.162271130e+01 1.645688266e+01 2.10 1.456446755e+00 1.019846528e+01 1.469738896e+01 2.12 8.133345080e-01 8.886358665e+00 1.306878271e+01 2.14 2.321179151e-01 7.677985817e+00 1.156220359e+01 2.16 -2.920105521e-01 6.565646289e+00 1.016949508e+01 2.18 -7.636037391e-01 5.542280387e+00 8.883113953e+00 2.20 -1.186950812e+00 4.601402690e+00 7.696041076e+00 2.22 -1.566061061e+00 3.737043170e+00 6.601698785e+00 2.24 -1.904650609e+00 2.943700010e+00 5.593879280e+00 2.26 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-3.836821581e+00 -3.602643279e+00 -3.220504182e+00 2.64 -3.805320963e+00 -3.681123304e+00 -3.360743955e+00 2.66 -3.766703350e+00 -3.746113928e+00 -3.482852529e+00 2.68 -3.721818383e+00 -3.798845632e+00 -3.588070474e+00 2.70 -3.671530753e+00 -3.840422184e+00 -3.677553829e+00 2.72 -3.616690488e+00 -3.872278230e+00 -3.752391139e+00 2.74 -3.558102445e+00 -3.895281210e+00 -3.813619127e+00 2.76 -3.496501517e+00 -3.909770250e+00 -3.862235786e+00 2.78 -3.432536631e+00 -3.916080493e+00 -3.899214750e+00 2.80 -3.366763640e+00 -3.914572522e+00 -3.925933644e+00 2.82 -3.299645669e+00 -3.905628742e+00 -3.943431465e+00 2.84 -3.231559358e+00 -3.889651155e+00 -3.952182863e+00 2.86 -3.162805512e+00 -3.867061498e+00 -3.952734116e+00 2.88 -3.093622562e+00 -3.838323661e+00 -3.945691042e+00 2.90 -3.024200949e+00 -3.803924264e+00 -3.931695693e+00 2.92 -2.954696547e+00 -3.764349193e+00 -3.911399929e+00 2.94 -2.885241773e+00 -3.720086771e+00 -3.885439464e+00 2.96 -2.815953722e+00 -3.671624077e+00 -3.854429226e+00 2.98 -2.746939418e+00 -3.619443034e+00 -3.818936062e+00 3.00 -2.678298714e+00 -3.564017202e+00 -3.779454446e+00 3.02 -2.610125518e+00 -3.505809246e+00 -3.736412202e+00 3.04 -2.542508038e+00 -3.445268209e+00 -3.690179105e+00 3.06 -2.475528573e+00 -3.382825463e+00 -3.641077962e+00 3.08 -2.409263228e+00 -3.318888621e+00 -3.589395584e+00 3.10 -2.343781753e+00 -3.253833865e+00 -3.535392020e+00 3.12 -2.279147600e+00 -3.187998184e+00 -3.479307467e+00 3.14 -2.215418171e+00 -3.121673517e+00 -3.421366943e+00 3.16 -2.152645192e+00 -3.055104297e+00 -3.361783166e+00 3.18 -2.090875102e+00 -2.988488979e+00 -3.300758221e+00 3.20 -2.030149355e+00 -2.921984923e+00 -3.238484518e+00 3.22 -1.970504570e+00 -2.855715404e+00 -3.175145461e+00 3.24 -1.911972515e+00 -2.789777334e+00 -3.110916095e+00 3.26 -1.854579949e+00 -2.724248565e+00 -3.045963881e+00 3.28 -1.798348410e+00 -2.659194083e+00 -2.980449630e+00 3.30 -1.743294050e+00 -2.594670831e+00 -2.914528532e+00 3.32 -1.689427610e+00 -2.530731180e+00 -2.848351126e+00 3.34 -1.636754608e+00 -2.467425215e+00 -2.782064066e+00 3.36 -1.585275770e+00 -2.404802071e+00 -2.715810548e+00 3.38 -1.534987684e+00 -2.342910530e+00 -2.649730342e+00 3.40 -1.485883605e+00 -2.281799052e+00 -2.583959522e+00 3.42 -1.437954333e+00 -2.221515428e+00 -2.518630013e+00 3.44 -1.391189039e+00 -2.162106156e+00 -2.453869144e+00 3.46 -1.345575949e+00 -2.103615689e+00 -2.389799231e+00 3.48 -1.301102820e+00 -2.046085620e+00 -2.326537125e+00 3.50 -1.257757162e+00 -1.989553914e+00 -2.264193465e+00 3.52 -1.215526229e+00 -1.934054213e+00 -2.202871429e+00 3.54 -1.174396783e+00 -1.879615272e+00 -2.142664809e+00 3.56 -1.134354723e+00 -1.826260533e+00 -2.083655598e+00 3.58 -1.095384628e+00 -1.774007843e+00 -2.025911421e+00 3.60 -1.057469280e+00 -1.722869309e+00 -1.969483347e+00 3.62 -1.020589228e+00 -1.672851271e+00 -1.914404570e+00 3.64 -9.847224227e-01 -1.623954403e+00 -1.860690261e+00 3.66 -9.498439548e-01 -1.576173899e+00 -1.808338645e+00 3.68 -9.159259111e-01 -1.529499770e+00 -1.757333093e+00 3.70 -8.829373464e-01 -1.483917223e+00 -1.707644882e+00 3.72 -8.508443784e-01 -1.439407137e+00 -1.659236258e+00 3.74 -8.196104043e-01 -1.395946613e+00 -1.612063443e+00 3.76 -7.891964443e-01 -1.353509597e+00 -1.566079395e+00 3.78 -7.595616176e-01 -1.312067560e+00 -1.521236161e+00 3.80 -7.306637630e-01 -1.271590212e+00 -1.477486804e+00 3.82 -7.024602146e-01 -1.232046214e+00 -1.434786895e+00 3.84 -6.749087438e-01 -1.193403875e+00 -1.393095605e+00 3.86 -6.479686686e-01 -1.155631795e+00 -1.352376423e+00 3.88 -6.216021186e-01 -1.118699444e+00 -1.312597554e+00 3.90 -5.957754220e-01 -1.082577658e+00 -1.273732009e+00 3.92 -5.704605470e-01 -1.047239064e+00 -1.235757437e+00 3.94 -5.456365029e-01 -1.012658441e+00 -1.198655744e+00 3.96 -5.212905481e-01 -9.788130175e-01 -1.162412532e+00 3.98 -4.974190562e-01 -9.456827568e-01 -1.127016432e+00 4.00 -4.740278524e-01 -9.132506018e-01 -1.092458367e+00 4.02 -4.511318768e-01 -8.815027010e-01 -1.058730804e+00 4.04 -4.287540922e-01 -8.504285881e-01 -1.025827050e+00 4.06 -4.069236621e-01 -8.200212903e-01 -9.937406017e-01 4.08 -3.856735527e-01 -7.902773316e-01 -9.624645999e-01 4.10 -3.650378326e-01 -7.611966019e-01 -9.319913844e-01 4.12 -3.450490240e-01 -7.327821000e-01 -9.023121544e-01 4.14 -3.257358581e-01 -7.050395227e-01 -8.734167301e-01 4.16 -3.071217112e-01 -6.779768011e-01 -8.452934031e-01 4.18 -2.892238520e-01 -6.516035891e-01 -8.179288600e-01 4.20 -2.720534572e-01 -6.259307728e-01 -7.913081638e-01 4.22 -2.556162192e-01 -6.009700179e-01 -7.654147788e-01 4.24 -2.399132492e-01 -5.767333400e-01 -7.402306238e-01 4.26 -2.249420374e-01 -5.532326428e-01 -7.157361451e-01 4.28 -2.106972355e-01 -5.304791543e-01 -6.919103985e-01 4.30 -1.971711724e-01 -5.084826960e-01 -6.687311363e-01 4.32 -1.843541090e-01 -4.872507651e-01 -6.461748964e-01 4.34 -1.722343171e-01 -4.667874666e-01 -6.242170916e-01 4.36 -1.607980919e-01 -4.470923945e-01 -6.028321027e-01 4.38 -1.500297953e-01 -4.281596073e-01 -5.819933769e-01 4.40 -1.399119645e-01 -4.099768505e-01 -5.616735387e-01 4.42 -1.304254884e-01 -3.925251538e-01 -5.418445183e-01 4.44 -1.215497965e-01 -3.757788789e-01 -5.224777073e-01 4.46 -1.132630075e-01 -3.597062224e-01 -5.035441483e-01 4.48 -1.055419987e-01 -3.442701197e-01 -4.850147693e-01 4.50 -9.836239219e-02 -3.294294482e-01 -4.668606700e-01 4.52 -9.169848649e-02 -3.151404086e-01 -4.490534630e-01 4.54 -8.552318938e-02 -3.013579666e-01 -4.315656946e-01 4.56 -7.980801122e-02 -2.880372545e-01 -4.143712927e-01 4.58 -7.452316342e-02 -2.751348582e-01 -3.974461036e-01 4.60 -6.963778849e-02 -2.626099445e-01 -3.807684497e-01 4.62 -6.512032485e-02 -2.504252031e-01 -3.643197080e-01 4.64 -6.093897144e-02 -2.385475919e-01 -3.480848712e-01 4.66 -5.706220313e-02 -2.269488861e-01 -3.320530567e-01 4.68 -5.345929274e-02 -2.156060316e-01 -3.162179209e-01 4.70 -5.010081614e-02 -2.045013098e-01 -3.005779406e-01 4.72 -4.695899523e-02 -1.936223215e-01 -2.851365337e-01 4.74 -4.400828928e-02 -1.829618073e-01 -2.699020053e-01 4.76 -4.122565184e-02 -1.725173272e-01 -2.548873247e-01 4.78 -3.859060446e-02 -1.622908347e-01 -2.401097611e-01 4.80 -3.608538917e-02 -1.522881825e-01 -2.255904201e-01 4.82 -3.369504229e-02 -1.425186105e-01 -2.113537298e-01 4.84 -3.140739748e-02 -1.329942268e-01 -1.974269207e-01 4.86 -2.921302308e-02 -1.237295327e-01 -1.838395232e-01 4.88 -2.710509559e-02 -1.147409686e-01 -1.706228822e-01 4.90 -2.507920957e-02 -1.060464709e-01 -1.578096607e-01 4.92 -2.313312379e-02 -9.766500372e-02 -1.454332822e-01 4.94 -2.126644656e-02 -8.961603086e-02 -1.335272587e-01 4.96 -1.948007808e-02 -8.191889566e-02 -1.221243631e-01 4.98 -1.777604834e-02 -7.459210235e-02 -1.112556355e-01 5.00 -1.615728706e-02 -6.765251585e-02 -1.009492520e-01 5.02 -1.462690777e-02 -6.111452712e-02 -9.122932737e-02 5.04 -1.318780170e-02 -5.498924796e-02 -8.211475473e-02 5.06 -1.184228577e-02 -4.928381233e-02 -7.361819880e-02 5.08 -1.059182530e-02 -4.400086552e-02 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-3.697460558e-03 -5.535878486e-03 5.46 -7.773964432e-04 -3.186497403e-03 -4.770867167e-03 5.48 -6.699042558e-04 -2.745773732e-03 -4.111009566e-03 5.50 -5.772296281e-04 -2.365895218e-03 -3.542245608e-03 5.52 -4.973769712e-04 -2.038636747e-03 -3.052263525e-03 5.54 -4.286030296e-04 -1.756821941e-03 -2.630319552e-03 5.56 -3.693897633e-04 -1.514208023e-03 -2.267069424e-03 5.58 -3.184187890e-04 -1.305378054e-03 -1.954402213e-03 5.60 -2.745477170e-04 -1.125641716e-03 -1.685295560e-03 5.62 -2.367885471e-04 -9.709451195e-04 -1.453679845e-03 5.64 -2.042881684e-04 -8.377896876e-04 -1.254316804e-03 5.66 -1.763109179e-04 -7.231598128e-04 -1.082691262e-03 5.68 -1.522230993e-04 -6.244588011e-04 -9.349152527e-04 5.70 -1.314793282e-04 -5.394524832e-04 -8.076435989e-04 5.72 -1.136105495e-04 -4.662198196e-04 -6.979999668e-04 5.74 -9.821357057e-05 -4.031098074e-04 -6.035123460e-04 5.76 -8.494194883e-05 -3.487040149e-04 -5.220569539e-04 5.78 -7.349808537e-05 -3.017841015e-04 -4.518096050e-04 5.80 -6.362638075e-05 -2.613037274e-04 -3.912036508e-04 5.82 -5.510732360e-05 -2.263643082e-04 -3.388936766e-04 5.84 -4.775239375e-05 -1.961941215e-04 -2.937242185e-04 5.86 -4.139967390e-05 -1.701303280e-04 -2.547028422e-04 5.88 -3.591007605e-05 -1.476035165e-04 -2.209770020e-04 5.90 -3.116409949e-05 -1.281244308e-04 -1.918141669e-04 5.92 -2.705904764e-05 -1.112725776e-04 -1.665847633e-04 5.94 -2.350664028e-05 -9.668645564e-05 -1.447475442e-04 5.96 -2.043096579e-05 -8.405517670e-05 -1.258370438e-04 5.98 -1.776672563e-05 -7.311128384e-05 -1.094528241e-04 6.00 -1.545772966e-05 -6.362459587e-05 -9.525025800e-05