# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1999--Liu-X-Y-Liu-C-L-Borucki-L-J--Al-Cu # implementation = 1999--Liu-X-Y--Al-Cu--LAMMPS--ipr1 # composition = Al # 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 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 1.970143746e+02 nan 0.74 nan nan nan nan nan nan nan nan 1.808589594e+02 nan 0.76 nan nan nan nan nan nan nan nan 1.661707708e+02 nan 0.78 nan nan nan nan nan 1.299765903e+02 nan nan 1.528580845e+02 nan 0.80 nan nan nan nan nan 1.197729888e+02 nan nan 1.407825878e+02 nan 0.82 nan nan nan nan nan 1.106120302e+02 nan nan 1.297674992e+02 nan 0.84 nan nan nan nan nan 1.024702157e+02 nan nan 1.196716678e+02 nan 0.86 nan nan nan nan nan 9.516558541e+01 nan nan 1.104974653e+02 nan 0.88 nan nan nan 2.034665408e+02 2.032227846e+02 8.851608022e+01 nan nan 1.021817895e+02 1.415141844e+02 0.90 nan 1.315261931e+02 nan 1.895777941e+02 1.893798328e+02 8.246110585e+01 1.342277921e+02 nan 9.467918724e+01 1.312147683e+02 0.92 nan 1.225019520e+02 nan 1.768643887e+02 1.767659368e+02 7.692887045e+01 1.247813731e+02 nan 8.791319214e+01 1.216616998e+02 0.94 nan 1.142776231e+02 nan 1.653371113e+02 1.653314307e+02 7.182414916e+01 1.159333011e+02 nan 8.184472173e+01 1.130067935e+02 0.96 nan 1.067423957e+02 nan 1.548156003e+02 1.548857646e+02 6.710786649e+01 1.077109484e+02 nan 7.638626259e+01 1.051875595e+02 0.98 nan 9.978928420e+01 nan 1.451307143e+02 1.452486191e+02 6.275091702e+01 1.001270470e+02 nan 7.144973977e+01 9.813686580e+01 1.00 nan 9.332565768e+01 1.249899117e+02 1.361619830e+02 1.362985764e+02 5.870484470e+01 9.325017546e+01 1.278051070e+02 6.696845602e+01 9.174952733e+01 1.02 1.277137262e+02 8.728284782e+01 1.171986294e+02 1.278302002e+02 1.279677861e+02 5.490578536e+01 8.703517340e+01 1.199949837e+02 6.286263936e+01 8.590937567e+01 1.04 1.200774311e+02 8.163377055e+01 1.098469978e+02 1.201241059e+02 1.202305898e+02 5.129106234e+01 8.139939073e+01 1.127354794e+02 5.905520508e+01 8.059161349e+01 1.06 1.129595945e+02 7.633515781e+01 1.028611564e+02 1.129390170e+02 1.129785610e+02 4.781621369e+01 7.627963513e+01 1.059334983e+02 5.549772846e+01 7.575661278e+01 1.08 1.062637710e+02 7.134048987e+01 9.637292819e+01 1.062251519e+02 1.062100244e+02 4.454841077e+01 7.164587271e+01 9.952873545e+01 5.217345259e+01 7.132957264e+01 1.10 9.996338348e+01 6.668159439e+01 9.037697015e+01 9.993995449e+01 9.989990914e+01 4.150240023e+01 6.743450680e+01 9.348562569e+01 4.905696744e+01 6.725344378e+01 1.12 9.401687402e+01 6.238311179e+01 8.478812829e+01 9.402437662e+01 9.398176360e+01 3.863851631e+01 6.357219160e+01 8.776947924e+01 4.611434092e+01 6.348358661e+01 1.14 8.840656863e+01 5.843545712e+01 7.959234553e+01 8.842797540e+01 8.839798030e+01 3.593787985e+01 6.001882715e+01 8.238112930e+01 4.332733739e+01 5.997021340e+01 1.16 8.307384897e+01 5.483030130e+01 7.477416852e+01 8.310044247e+01 8.309396644e+01 3.339100904e+01 5.674824511e+01 7.732331799e+01 4.069348548e+01 5.666786299e+01 1.18 7.803015867e+01 5.154520161e+01 7.030828800e+01 7.805963422e+01 7.807847661e+01 3.097947665e+01 5.373493194e+01 7.266265792e+01 3.819567511e+01 5.355344409e+01 1.20 7.341215942e+01 4.855617977e+01 6.618155512e+01 7.342457042e+01 7.344781612e+01 2.868919863e+01 5.093633937e+01 6.840157962e+01 3.581987708e+01 5.064196658e+01 1.22 6.918528265e+01 4.582665635e+01 6.234861248e+01 6.916692120e+01 6.917830321e+01 2.649892416e+01 4.830640315e+01 6.449272324e+01 3.355430453e+01 4.790073103e+01 1.24 6.530274606e+01 4.332291400e+01 5.876838437e+01 6.524902011e+01 6.523748789e+01 2.439055162e+01 4.580759962e+01 6.088925001e+01 3.138825526e+01 4.530623389e+01 1.26 6.171155149e+01 4.101262604e+01 5.546821798e+01 6.163629526e+01 6.160202621e+01 2.241146715e+01 4.343817851e+01 5.755364073e+01 2.934035954e+01 4.283356923e+01 1.28 5.836931781e+01 3.888116239e+01 5.246630564e+01 5.829848663e+01 5.824875347e+01 2.059737758e+01 4.117903907e+01 5.446079768e+01 2.742557839e+01 4.046812965e+01 1.30 5.527017748e+01 3.691779557e+01 4.972429102e+01 5.521359640e+01 5.515469023e+01 1.893710387e+01 3.900832786e+01 5.160059260e+01 2.563246184e+01 3.821034805e+01 1.32 5.239870756e+01 3.510054162e+01 4.721204687e+01 5.235797528e+01 5.229736777e+01 1.742671587e+01 3.690804317e+01 4.895037595e+01 2.394535163e+01 3.605669185e+01 1.34 4.973754534e+01 3.340497346e+01 4.489041672e+01 4.971020091e+01 4.965399771e+01 1.604855963e+01 3.486773867e+01 4.648743858e+01 2.234819254e+01 3.400519095e+01 1.36 4.726698973e+01 3.181354754e+01 4.273904149e+01 4.725098441e+01 4.720379206e+01 1.478836732e+01 3.288915978e+01 4.419252516e+01 2.083216969e+01 3.204820125e+01 1.38 4.497092580e+01 3.031079785e+01 4.075031045e+01 4.495981466e+01 4.492492515e+01 1.364285955e+01 3.097601940e+01 4.205160330e+01 1.941657959e+01 3.018607681e+01 1.40 4.281702214e+01 2.887973819e+01 3.890073697e+01 4.281027821e+01 4.279116745e+01 1.260295958e+01 2.915825211e+01 4.004022598e+01 1.809548787e+01 2.840410164e+01 1.42 4.077923992e+01 2.751000996e+01 3.717109724e+01 4.077823023e+01 4.077754739e+01 1.166221594e+01 2.746578235e+01 3.813474070e+01 1.685845665e+01 2.668974786e+01 1.44 3.884072909e+01 2.620075719e+01 3.554359586e+01 3.884950886e+01 3.886889135e+01 1.081358159e+01 2.588995571e+01 3.632324185e+01 1.569525568e+01 2.504361013e+01 1.46 3.702069758e+01 2.494674019e+01 3.399594620e+01 3.703727299e+01 3.707349764e+01 1.004620743e+01 2.441774432e+01 3.461795881e+01 1.459782195e+01 2.351126275e+01 1.48 3.530994142e+01 2.373669416e+01 3.251144616e+01 3.533351269e+01 3.538172309e+01 9.348551201e+00 2.303614216e+01 3.301171453e+01 1.356010072e+01 2.208363175e+01 1.50 3.369629010e+01 2.256134056e+01 3.108265436e+01 3.372861488e+01 3.378392070e+01 8.714142792e+00 2.173384290e+01 3.149572679e+01 1.257833883e+01 2.074954103e+01 1.52 3.217078472e+01 2.141528478e+01 2.970069410e+01 3.221378216e+01 3.227183786e+01 8.135016706e+00 2.050433974e+01 3.006352887e+01 1.165046871e+01 1.950506267e+01 1.54 3.072524795e+01 2.029952725e+01 2.836287477e+01 3.078117155e+01 3.083820102e+01 7.607193935e+00 1.933799787e+01 2.870797237e+01 1.077115059e+01 1.833638235e+01 1.56 2.935905048e+01 1.921356259e+01 2.706934433e+01 2.942393726e+01 2.947624469e+01 7.126863839e+00 1.822637641e+01 2.742519607e+01 9.933687363e+00 1.723356026e+01 1.58 2.807230285e+01 1.815308322e+01 2.581798942e+01 2.813556244e+01 2.817956886e+01 6.686924232e+00 1.716335491e+01 2.621059883e+01 9.135791054e+00 1.619070538e+01 1.60 2.685349681e+01 1.711194626e+01 2.460653366e+01 2.690672723e+01 2.693960453e+01 6.281576223e+00 1.614226057e+01 2.505414912e+01 8.376305149e+00 1.519991422e+01 1.62 2.569404025e+01 1.608350633e+01 2.343382924e+01 2.573125915e+01 2.575055424e+01 5.905008635e+00 1.515769590e+01 2.395024490e+01 7.653309447e+00 1.425465205e+01 1.64 2.459226027e+01 1.506146761e+01 2.230284527e+01 2.460689990e+01 2.461039667e+01 5.552808179e+00 1.422009001e+01 2.289165690e+01 6.964391325e+00 1.335211728e+01 1.66 2.353974529e+01 1.404470664e+01 2.121733461e+01 2.353073831e+01 2.351889737e+01 5.224335829e+00 1.333055278e+01 2.187204662e+01 6.314225880e+00 1.248929591e+01 1.68 2.252601198e+01 1.305454142e+01 2.017284315e+01 2.249650366e+01 2.247162339e+01 4.915444032e+00 1.248166218e+01 2.088489215e+01 5.709065564e+00 1.166204144e+01 1.70 2.154423963e+01 1.209368168e+01 1.916224877e+01 2.149847499e+01 2.146351165e+01 4.621839660e+00 1.166687781e+01 1.992464699e+01 5.143682290e+00 1.086883026e+01 1.72 2.058792885e+01 1.116022670e+01 1.817962486e+01 2.053100321e+01 2.048907212e+01 4.341018896e+00 1.087981136e+01 1.898731057e+01 4.613549955e+00 1.010824340e+01 1.74 1.965234745e+01 1.025302363e+01 1.721983092e+01 1.958988258e+01 1.954375619e+01 4.071892584e+00 1.011501060e+01 1.807039731e+01 4.117700713e+00 9.379772374e+00 1.76 1.873548911e+01 9.370966590e+00 1.627915290e+01 1.867388367e+01 1.862588436e+01 3.811946382e+00 9.370217611e+00 1.717228172e+01 3.656030567e+00 8.683183722e+00 1.78 1.783863520e+01 8.512984853e+00 1.537035884e+01 1.778175368e+01 1.773376734e+01 3.558401387e+00 8.643976224e+00 1.629252011e+01 3.227288881e+00 8.020302985e+00 1.80 1.696163541e+01 7.677584954e+00 1.449076814e+01 1.691206464e+01 1.686621389e+01 3.308463544e+00 7.934162371e+00 1.542945850e+01 2.830029806e+00 7.390320785e+00 1.82 1.610292212e+01 6.869233048e+00 1.363548793e+01 1.606411427e+01 1.602398439e+01 3.060035298e+00 7.241624401e+00 1.458111133e+01 2.461431275e+00 6.791195570e+00 1.84 1.525974878e+01 6.106578933e+00 1.280079369e+01 1.523433441e+01 1.520302415e+01 2.811766492e+00 6.567733752e+00 1.374410274e+01 2.118325263e+00 6.220119842e+00 1.86 1.442862415e+01 5.389380426e+00 1.198400742e+01 1.441835014e+01 1.439827190e+01 2.562832507e+00 5.913045942e+00 1.291508414e+01 1.797208293e+00 5.673788100e+00 1.88 1.361079240e+01 4.715506611e+00 1.118651657e+01 1.361440128e+01 1.360651949e+01 2.314407460e+00 5.278693164e+00 1.209403345e+01 1.494859630e+00 5.153146667e+00 1.90 1.280367315e+01 4.081724416e+00 1.040561449e+01 1.281900694e+01 1.282348212e+01 2.065568588e+00 4.665126340e+00 1.127865288e+01 1.208977284e+00 4.656673323e+00 1.92 1.200404839e+01 3.484557070e+00 9.637815303e+00 1.202863167e+01 1.204487136e+01 1.814998131e+00 4.074153321e+00 1.046712992e+01 9.372384491e-01 4.182237071e+00 1.94 1.121035799e+01 2.920949752e+00 8.880137436e+00 1.124167953e+01 1.126821640e+01 1.561360368e+00 3.511785490e+00 9.657860926e+00 6.782335540e-01 3.727979978e+00 1.96 1.042031496e+01 2.387650975e+00 8.129572198e+00 1.045694706e+01 1.049186998e+01 1.303273979e+00 2.978459083e+00 8.848897367e+00 4.302862834e-01 3.290598514e+00 1.98 9.631590543e+00 1.882297500e+00 7.384467958e+00 9.671671896e+00 9.712625357e+00 1.040559111e+00 2.474165179e+00 8.051282666e+00 1.912230331e-01 2.867061911e+00 2.00 8.842808026e+00 1.403641451e+00 6.645807955e+00 8.884086304e+00 8.928295137e+00 7.750384036e-01 1.997338466e+00 7.278745477e+00 -4.077850451e-02 2.456152046e+00 2.02 8.052204055e+00 9.495291217e-01 5.913531591e+00 8.092843272e+00 8.137909006e+00 5.069346793e-01 1.546088123e+00 6.529144727e+00 -2.673662208e-01 2.055742887e+00 2.04 7.275742337e+00 5.203847713e-01 5.199706030e+00 7.314315729e+00 7.358277358e+00 2.452726074e-01 1.124478568e+00 5.807629308e+00 -4.856660115e-01 1.672234410e+00 2.06 6.533909871e+00 1.188798529e-01 4.519323404e+00 6.569427772e+00 6.610737714e+00 -1.386817074e-03 7.384640393e-01 5.121320787e+00 -6.914786255e-01 1.314330187e+00 2.08 5.825051563e+00 -2.551380390e-01 3.872284784e+00 5.857493043e+00 5.894919293e+00 -2.329857364e-01 3.858718130e-01 4.469298064e+00 -8.854893440e-01 9.800193802e-01 2.10 5.147740929e+00 -6.009431186e-01 3.258779950e+00 5.177503557e+00 5.210180934e+00 -4.498842046e-01 6.404399170e-02 3.851655746e+00 -1.067928119e+00 6.677211123e-01 2.12 4.504088292e+00 -9.196506874e-01 2.678991669e+00 4.530480789e+00 4.557476237e+00 -6.527048250e-01 -2.295062909e-01 3.268056579e+00 -1.238760974e+00 3.759837399e-01 2.14 3.896356191e+00 -1.212144615e+00 2.132678819e+00 3.917450106e+00 3.937597206e+00 -8.420578418e-01 -4.971606017e-01 2.716862897e+00 -1.399012222e+00 1.033555638e-01 2.16 3.322672679e+00 -1.479214791e+00 1.619276510e+00 3.336851163e+00 3.349232681e+00 -1.018757036e+00 -7.412871107e-01 2.196250621e+00 -1.549081472e+00 -1.516419257e-01 2.18 2.780608141e+00 -1.721964412e+00 1.140199985e+00 2.787304269e+00 2.791988298e+00 -1.184202714e+00 -9.638911011e-01 1.704393381e+00 -1.687219740e+00 -3.907977882e-01 2.20 2.267494329e+00 -1.942036778e+00 6.946310980e-01 2.266746658e+00 2.264361015e+00 -1.340682208e+00 -1.166799051e+00 1.240153701e+00 -1.813917239e+00 -6.158774019e-01 2.22 1.781722983e+00 -2.141093153e+00 2.817943509e-01 1.774000514e+00 1.765428240e+00 -1.489386706e+00 -1.351168624e+00 8.028513050e-01 -1.929957962e+00 -8.281777435e-01 2.24 1.322458910e+00 -2.320598263e+00 -9.706521189e-02 1.309036576e+00 1.295321980e+00 -1.627924317e+00 -1.518489646e+00 3.923667866e-01 -2.036258458e+00 -1.028736727e+00 2.26 8.888857896e-01 -2.481981413e+00 -4.431796552e-01 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