# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ta-Cu # implementation = EAM_Dynamo_ZhouJohnsonWadley_2004_CuTa__MO_547744193826_000 # composition = Cu3Ta # 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 2024-11-27 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 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 nan nan nan 1.56 nan nan nan 1.58 nan nan nan 1.60 nan nan nan 1.62 nan nan nan 1.64 nan nan nan 1.66 nan nan nan 1.68 1.038958052e+01 nan nan 1.70 8.896860743e+00 nan nan 1.72 7.524240701e+00 nan nan 1.74 6.262500881e+00 nan nan 1.76 5.104195299e+00 nan nan 1.78 4.043210927e+00 nan nan 1.80 3.074294292e+00 nan nan 1.82 2.192601252e+00 nan nan 1.84 1.393391155e+00 9.221299296e+00 nan 1.86 6.717899450e-01 7.927438118e+00 nan 1.88 2.270123348e-02 6.742237121e+00 nan 1.90 -5.592020181e-01 5.657104644e+00 8.796092975e+00 1.92 -1.079369105e+00 4.663837742e+00 7.533900758e+00 1.94 -1.543211294e+00 3.754609043e+00 6.375906648e+00 1.96 -1.955929987e+00 2.922015376e+00 5.315622619e+00 1.98 -2.322362064e+00 2.159200957e+00 4.346191929e+00 2.00 -2.646887785e+00 1.459947782e+00 3.460581932e+00 2.02 -2.933397423e+00 8.187323495e-01 2.651918376e+00 2.04 -3.185306114e+00 2.307570340e-01 1.913803005e+00 2.06 -3.405628589e+00 -3.080451465e-01 1.240538135e+00 2.08 -3.597007594e+00 -8.011280801e-01 6.270692258e-01 2.10 -3.762002468e+00 -1.251379308e+00 6.892013388e-02 2.12 -3.903304489e+00 -1.661281737e+00 -4.380391419e-01 2.14 -4.023498628e+00 -2.033035972e+00 -8.977834770e-01 2.16 -4.125064939e+00 -2.368666691e+00 -1.314257712e+00 2.18 -4.210340169e+00 -2.670112575e+00 -1.691436144e+00 2.20 -4.281304906e+00 -2.939291526e+00 -2.033296699e+00 2.22 -4.339279131e+00 -3.178166431e+00 -2.343726791e+00 2.24 -4.385447485e+00 -3.388756787e+00 -2.626330937e+00 2.26 -4.420926352e+00 -3.573167913e+00 -2.884254082e+00 2.28 -4.446741933e+00 -3.733471281e+00 -3.120075815e+00 2.30 -4.463816444e+00 -3.872132930e+00 -3.335738489e+00 2.32 -4.472990441e+00 -3.991851211e+00 -3.532618277e+00 2.34 -4.475060365e+00 -4.095299684e+00 -3.711655329e+00 2.36 -4.470806054e+00 -4.184987153e+00 -3.873389910e+00 2.38 -4.461005213e+00 -4.263055190e+00 -4.018307114e+00 2.40 -4.446419065e+00 -4.330749294e+00 -4.146937423e+00 2.42 -4.427766933e+00 -4.388925676e+00 -4.259820348e+00 2.44 -4.405690247e+00 -4.438344930e+00 -4.357545250e+00 2.46 -4.380743001e+00 -4.479665787e+00 -4.440798334e+00 2.48 -4.353924663e+00 -4.513437467e+00 -4.510359989e+00 2.50 -4.325556170e+00 -4.540120152e+00 -4.567105004e+00 2.52 -4.295241936e+00 -4.560106276e+00 -4.611772173e+00 2.54 -4.262693399e+00 -4.573742486e+00 -4.645108000e+00 2.56 -4.227698080e+00 -4.581347935e+00 -4.667994983e+00 2.58 -4.190098029e+00 -4.583233921e+00 -4.681414317e+00 2.60 -4.149783325e+00 -4.579715561e+00 -4.686378919e+00 2.62 -4.106684459e+00 -4.571126066e+00 -4.683869394e+00 2.64 -4.060790627e+00 -4.557821631e+00 -4.674792896e+00 2.66 -4.012189690e+00 -4.540191911e+00 -4.659958778e+00 2.68 -3.961004521e+00 -4.518824545e+00 -4.640087186e+00 2.70 -3.907373688e+00 -4.494160268e+00 -4.615826808e+00 2.72 -3.851453793e+00 -4.466468025e+00 -4.587777720e+00 2.74 -3.793413020e+00 -4.436370518e+00 -4.556503694e+00 2.76 -3.733431992e+00 -4.403860645e+00 -4.522539735e+00 2.78 -3.671692625e+00 -4.368809786e+00 -4.486850103e+00 2.80 -3.608372892e+00 -4.331120122e+00 -4.449801264e+00 2.82 -3.543639668e+00 -4.290708810e+00 -4.411301817e+00 2.84 -3.477639150e+00 -4.247513963e+00 -4.371289021e+00 2.86 -3.410494848e+00 -4.201510539e+00 -4.329716879e+00 2.88 -3.342300588e+00 -4.152694447e+00 -4.286544934e+00 2.90 -3.273124794e+00 -4.101092068e+00 -4.241742359e+00 2.92 -3.203010567e+00 -4.046789077e+00 -4.195283054e+00 2.94 -3.131985183e+00 -3.989917710e+00 -4.147154263e+00 2.96 -3.060064870e+00 -3.930631018e+00 -4.097373178e+00 2.98 -2.987263451e+00 -3.869099795e+00 -4.046013977e+00 3.00 -2.913597397e+00 -3.805510825e+00 -3.993170427e+00 3.02 -2.839094031e+00 -3.740054750e+00 -3.938940416e+00 3.04 -2.763789031e+00 -3.672918956e+00 -3.883429267e+00 3.06 -2.687728999e+00 -3.604283234e+00 -3.826752825e+00 3.08 -2.610966694e+00 -3.534314209e+00 -3.769036247e+00 3.10 -2.533559717e+00 -3.463161913e+00 -3.710411573e+00 3.12 -2.455563344e+00 -3.390959113e+00 -3.651013304e+00 3.14 -2.377030326e+00 -3.317824502e+00 -3.590975010e+00 3.16 -2.298006229e+00 -3.243861760e+00 -3.530413845e+00 3.18 -2.218531234e+00 -3.169169645e+00 -3.469428941e+00 3.20 -2.138642593e+00 -3.093840585e+00 -3.408084028e+00 3.22 -2.058380362e+00 -3.017972674e+00 -3.346411430e+00 3.24 -1.977790570e+00 -2.941670968e+00 -3.284402810e+00 3.26 -1.896936687e+00 -2.865053927e+00 -3.222018096e+00 3.28 -1.815907029e+00 -2.788254833e+00 -3.159192049e+00 3.30 -1.734821363e+00 -2.711420684e+00 -3.095845830e+00 3.32 -1.653838626e+00 -2.634710922e+00 -3.031894340e+00 3.34 -1.573161925e+00 -2.558293972e+00 -2.967264725e+00 3.36 -1.493035977e+00 -2.482333920e+00 -2.901893955e+00 3.38 -1.413746271e+00 -2.406991025e+00 -2.835746491e+00 3.40 -1.335606823e+00 -2.332403861e+00 -2.768803986e+00 3.42 -1.258952392e+00 -2.258691511e+00 -2.701074127e+00 3.44 -1.184120786e+00 -2.185942101e+00 -2.632584060e+00 3.46 -1.111437236e+00 -2.114213408e+00 -2.563376831e+00 3.48 -1.041202815e+00 -2.043529657e+00 -2.493503702e+00 3.50 -9.736780754e-01 -1.973886942e+00 -2.423025323e+00 3.52 -9.090794497e-01 -1.905253744e+00 -2.352003703e+00 3.54 -8.475731571e-01 -1.837577910e+00 -2.280501765e+00 3.56 -7.892767518e-01 -1.770793001e+00 -2.208583239e+00 3.58 -7.342624150e-01 -1.704824317e+00 -2.136311945e+00 3.60 -6.825616937e-01 -1.639593502e+00 -2.063753124e+00 3.62 -6.341660580e-01 -1.575030213e+00 -1.990978407e+00 3.64 -5.890354745e-01 -1.511074345e+00 -1.918069972e+00 3.66 -5.470932698e-01 -1.447686903e+00 -1.845123643e+00 3.68 -5.082328299e-01 -1.384852033e+00 -1.772254088e+00 3.70 -4.723142856e-01 -1.322587143e+00 -1.699599796e+00 3.72 -4.391705772e-01 -1.260942668e+00 -1.627323453e+00 3.74 -4.086096673e-01 -1.200009714e+00 -1.555615748e+00 3.76 -3.804213510e-01 -1.139914968e+00 -1.484688668e+00 3.78 -3.543878517e-01 -1.080823547e+00 -1.414779791e+00 3.80 -3.302884997e-01 -1.022931935e+00 -1.346138308e+00 3.82 -3.079125065e-01 -9.664580770e-01 -1.279023129e+00 3.84 -2.870633114e-01 -9.116341139e-01 -1.213690738e+00 3.86 -2.675667100e-01 -8.586896412e-01 -1.150383780e+00 3.88 -2.492740019e-01 -8.078393952e-01 -1.089321431e+00 3.90 -2.320650990e-01 -7.592692636e-01 -1.030689664e+00 3.92 -2.158477193e-01 -7.131277345e-01 -9.746354078e-01 3.94 -2.005565955e-01 -6.695127591e-01 -9.212572245e-01 3.96 -1.861477193e-01 -6.284761646e-01 -8.706097305e-01 3.98 -1.725953918e-01 -5.900143440e-01 -8.226954302e-01 4.00 -1.598847478e-01 -5.540782886e-01 -7.774753550e-01 4.02 -1.480054724e-01 -5.205770003e-01 -7.348675191e-01 4.04 -1.369473460e-01 -4.893858792e-01 -6.947575810e-01 4.06 -1.266946089e-01 -4.603546202e-01 -6.570019669e-01 4.08 -1.172243580e-01 -4.333152074e-01 -6.214374281e-01 4.10 -1.085033274e-01 -4.080903495e-01 -5.878855373e-01 4.12 -1.004895525e-01 -3.844992918e-01 -5.561624606e-01 4.14 -9.313301083e-02 -3.623632211e-01 -5.260799978e-01 4.16 -8.637836736e-02 -3.415095706e-01 -4.974538493e-01 4.18 -8.016655038e-02 -3.217753879e-01 -4.701067156e-01 4.20 -7.443791096e-02 -3.030101742e-01 -4.438715709e-01 4.22 -6.913424479e-02 -2.850786955e-01 -4.185973579e-01 4.24 -6.420077483e-02 -2.678611782e-01 -3.941487243e-01 4.26 -5.958702868e-02 -2.512555206e-01 -3.704105352e-01 4.28 -5.524916750e-02 -2.351785633e-01 -3.472905692e-01 4.30 -5.115013644e-02 -2.195672315e-01 -3.247208401e-01 4.32 -4.725941213e-02 -2.043776846e-01 -3.026584912e-01 4.34 -4.355389984e-02 -1.895880575e-01 -2.810897120e-01 4.36 -4.001686504e-02 -1.751947232e-01 -2.600247545e-01 4.38 -3.663798692e-02 -1.612123200e-01 -2.394986101e-01 4.40 -3.341257601e-02 -1.476719588e-01 -2.195689065e-01 4.42 -3.034032338e-02 -1.346161461e-01 -2.003085641e-01 4.44 -2.742454493e-02 -1.220969251e-01 -1.818034825e-01 4.46 -2.467041221e-02 -1.101685595e-01 -1.641420582e-01 4.48 -2.208405866e-02 -9.888497295e-02 -1.474107411e-01 4.50 -1.967077763e-02 -8.829363700e-02 -1.316857616e-01 4.52 -1.743521278e-02 -7.843280923e-02 -1.170290984e-01 4.54 -1.537986387e-02 -6.932755056e-02 -1.034825968e-01 4.56 -1.350477168e-02 -6.098954969e-02 -9.106771753e-02 4.58 -1.180707558e-02 -5.341555574e-02 -7.978242667e-02 4.60 -1.028131838e-02 -4.658891193e-02 -6.960432765e-02 4.62 -8.919716340e-03 -4.048089010e-02 -6.049301902e-02 4.64 -7.712627126e-03 -3.505307192e-02 -5.239331866e-02 4.66 -6.648984693e-03 -3.026020339e-02 -4.523855704e-02 4.68 -5.716939685e-03 -2.605241084e-02 -3.895505923e-02 4.70 -4.904277486e-03 -2.237694666e-02 -3.346520731e-02 4.72 -4.198852390e-03 -1.918099408e-02 -2.869018868e-02 4.74 -3.588938217e-03 -1.641362481e-02 -2.455425130e-02 4.76 -3.063387575e-03 -1.402587435e-02 -2.098437403e-02 4.78 -2.611860103e-03 -1.197195039e-02 -1.791268748e-02 4.80 -2.224910402e-03 -1.020979445e-02 -1.527679685e-02 4.82 -1.893994502e-03 -8.701190318e-03 -1.301985027e-02 4.84 -1.611507381e-03 -7.412021889e-03 -1.109099961e-02 4.86 -1.370702554e-03 -6.311944279e-03 -9.444958441e-03 4.88 -1.165669941e-03 -5.374324569e-03 -8.041943709e-03 4.90 -9.912489362e-04 -4.575866670e-03 -6.847135583e-03 4.92 -8.429741896e-04 -3.896391180e-03 -5.830359377e-03 4.94 -7.169880655e-04 -3.318439482e-03 -4.965501464e-03 4.96 -6.099717012e-04 -2.826976130e-03 -4.230067898e-03 4.98 -5.190856882e-04 -2.409126699e-03 -3.604795368e-03 5.00 -4.419023931e-04 -2.053870901e-03 -3.073193299e-03 5.02 -3.763491372e-04 -1.751793467e-03 -2.621171960e-03 5.04 -3.206676147e-04 -1.494898757e-03 -2.236765854e-03 5.06 -2.733584353e-04 -1.276363314e-03 -1.909763328e-03 5.08 -2.331504506e-04 -1.090396072e-03 -1.631497725e-03 5.10 -1.989640378e-04 -9.320752540e-04 -1.394603312e-03 5.12 -1.698862330e-04 -7.972345670e-04 -1.192845059e-03 5.14 -1.451412352e-04 -6.823302434e-04 -1.020919561e-03 5.16 -1.240730995e-04 -5.843637684e-04 -8.743394976e-04 5.18 -1.061262801e-04 -5.007924155e-04 -7.492996681e-04 5.20 -9.082955133e-05 -4.294577382e-04 -6.425700007e-04 5.22 -7.778404307e-05 -3.685307162e-04 -5.514134313e-04 5.24 -6.657310111e-05 -3.164595574e-04 -4.735077983e-04 5.26 -5.707839963e-05 -2.719278600e-04 -4.068832109e-04 5.28 -4.896651410e-05 -2.338211940e-04 -3.498720575e-04 5.30 -4.203126434e-05 -2.011887607e-04 -3.010515712e-04 5.32 -3.609841956e-05 -1.732266104e-04 -2.592187700e-04 5.34 -3.101965822e-05 -1.492493090e-04 -2.233480133e-04 5.36 -2.666945979e-05 -1.286760628e-04 -1.925702641e-04 5.38 -2.294076565e-05 -1.110110607e-04 -1.661436428e-04 5.40 -1.974263920e-05 -9.583242972e-05 -1.434369151e-04 5.42 -1.699787046e-05 -8.278165572e-05 -1.239136589e-04 5.44 -1.464076021e-05 -7.155326338e-05 -1.071168179e-04 5.46 -1.261518449e-05 -6.188589161e-05 -9.265534428e-05 5.48 -1.087339552e-05 -5.355689154e-05 -8.019611333e-05 5.50 -9.374611528e-06 -4.637588473e-05 -6.945429127e-05 5.52 -8.084207772e-06 -4.018092060e-05 -6.018757786e-05 5.54 -6.972459279e-06 -3.473220284e-05 -5.218775390e-05 5.56 -6.014066659e-06 -3.012525952e-05 -4.527732845e-05 5.58 -5.187310006e-06 -2.614282383e-05 -3.930366705e-05 5.60 -4.473717800e-06 -2.269822387e-05 -3.413676118e-05 5.62 -3.857396236e-06 -1.971677985e-05 -2.966459068e-05 5.64 -3.324768440e-06 -1.713459477e-05 -2.579130969e-05 5.66 -2.864176403e-06 -1.489670963e-05 -2.243447944e-05 5.68 -2.465668139e-06 -1.295613067e-05 -1.952360907e-05 5.70 -2.120653537e-06 -1.127221545e-05 -1.699773478e-05 5.72 -1.821769593e-06 -9.810087433e-06 -1.480454165e-05 5.74 -1.463192114e-06 -8.539774290e-06 -1.289907110e-05 5.76 -1.250542662e-06 -7.435506422e-06 -1.124266866e-05 5.78 -1.066108075e-06 -6.474945897e-06 -9.801827387e-06 5.80 -9.060532482e-07 -5.638889134e-06 -8.547741872e-06 5.82 -7.670752513e-07 -4.910753127e-06 -7.455537580e-06 5.84 -6.463362771e-07 -4.276250656e-06 -6.503783659e-06 5.86 -5.413889386e-07 -3.723041921e-06 -5.673970393e-06 5.88 -4.501141511e-07 -3.240411292e-06 -4.950024323e-06 5.90 -3.706853743e-07 -2.819102050e-06 -4.318060363e-06 5.92 -3.015330998e-07 -2.451135142e-06 -3.766109928e-06 5.94 -2.412943855e-07 -2.129569267e-06 -3.283761058e-06 5.96 -1.887922559e-07 -1.848395541e-06 -2.862000426e-06 5.98 -1.430094290e-07 -1.602403982e-06 -2.493013054e-06 6.00 -1.030663804e-07 -1.387077665e-06 -2.170023553e-06