# 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 = AuTi3 # 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 3.523526489e+02 nan nan 1.16 3.246064267e+02 nan nan 1.18 2.991217291e+02 nan nan 1.20 2.756985534e+02 nan nan 1.22 2.541537969e+02 nan nan 1.24 2.343216049e+02 nan nan 1.26 2.160527201e+02 nan nan 1.28 1.992123614e+02 3.061098660e+02 3.502818680e+02 1.30 1.836786178e+02 2.839653110e+02 3.255271114e+02 1.32 1.693416300e+02 2.634602602e+02 3.025767508e+02 1.34 1.561027281e+02 2.444619263e+02 2.812863073e+02 1.36 1.438729900e+02 2.268486942e+02 2.615242162e+02 1.38 1.325715265e+02 2.105102619e+02 2.431702372e+02 1.40 1.221243665e+02 1.953471388e+02 2.261144842e+02 1.42 1.124639343e+02 1.812690701e+02 2.102571840e+02 1.44 1.035284190e+02 1.681932620e+02 1.955081596e+02 1.46 9.526093575e+01 1.560433327e+02 1.817854928e+02 1.48 8.760895451e+01 1.447490291e+02 1.690139092e+02 1.50 8.052421162e+01 1.342462094e+02 1.571236252e+02 1.52 7.396273873e+01 1.244765607e+02 1.460498689e+02 1.54 6.788451964e+01 1.153868712e+02 1.357328222e+02 1.56 6.225281707e+01 1.069280841e+02 1.261176125e+02 1.58 5.703360968e+01 9.905449555e+01 1.171540866e+02 1.60 5.219536862e+01 9.172334108e+01 1.087963053e+02 1.62 4.770903155e+01 8.489478427e+01 1.010018882e+02 1.64 4.354790830e+01 7.853206336e+01 9.373140325e+01 1.66 3.968745186e+01 7.260149541e+01 8.694794332e+01 1.68 3.610503133e+01 6.707226557e+01 8.061694921e+01 1.70 3.278158934e+01 6.191613459e+01 7.470626100e+01 1.72 2.970916557e+01 5.710716851e+01 6.918626393e+01 1.74 2.687120030e+01 5.262148722e+01 6.402990716e+01 1.76 2.425055471e+01 4.843700640e+01 5.921248092e+01 1.78 2.183146306e+01 4.453319097e+01 5.471123377e+01 1.80 1.959924971e+01 4.089086712e+01 5.050498409e+01 1.82 1.754014224e+01 3.749212037e+01 4.657382575e+01 1.84 1.564118158e+01 3.432025273e+01 4.289897348e+01 1.86 1.389019076e+01 3.136425579e+01 3.946275211e+01 1.88 1.227578159e+01 2.861723845e+01 3.624867799e+01 1.90 1.078739496e+01 2.606487721e+01 3.324168341e+01 1.92 9.415350759e+00 2.369367133e+01 3.043532271e+01 1.94 8.150858357e+00 2.149102466e+01 2.782058491e+01 1.96 6.985959280e+00 1.944517186e+01 2.538472707e+01 1.98 5.913419497e+00 1.754514054e+01 2.311595047e+01 2.00 4.926608370e+00 1.578072461e+01 2.100327550e+01 2.02 4.019387494e+00 1.414244220e+01 1.903645098e+01 2.04 3.186023417e+00 1.262147743e+01 1.720589017e+01 2.06 2.421131587e+00 1.120963030e+01 1.550262624e+01 2.08 1.719654518e+00 9.899298291e+00 1.391828330e+01 2.10 1.076861172e+00 8.683482362e+00 1.244505457e+01 2.12 4.883498638e-01 7.555783555e+00 1.107567465e+01 2.14 -4.995569033e-02 6.510362987e+00 9.803374360e+00 2.16 -5.418184845e-01 5.541868452e+00 8.621818035e+00 2.18 -9.907058107e-01 4.645349681e+00 7.525036042e+00 2.20 -1.399812206e+00 3.816182555e+00 6.507372176e+00 2.22 -1.772080695e+00 3.050009264e+00 5.563463223e+00 2.24 -2.110219456e+00 2.342696114e+00 4.688250581e+00 2.26 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-4.498020163e+00 -3.972321573e+00 -3.519471552e+00 2.64 -4.501263579e+00 -4.078061112e+00 -3.674196940e+00 2.66 -4.498201277e+00 -4.171145972e+00 -3.812953606e+00 2.68 -4.489265351e+00 -4.252464641e+00 -3.936906617e+00 2.70 -4.474482501e+00 -4.322830483e+00 -4.047106870e+00 2.72 -4.453885115e+00 -4.382990760e+00 -4.144502703e+00 2.74 -4.427586676e+00 -4.433693462e+00 -4.229957097e+00 2.76 -4.395768839e+00 -4.475675269e+00 -4.304266103e+00 2.78 -4.358669016e+00 -4.509395883e+00 -4.368175735e+00 2.80 -4.316568482e+00 -4.535292156e+00 -4.422396336e+00 2.82 -4.269780894e+00 -4.553800168e+00 -4.467672484e+00 2.84 -4.218638899e+00 -4.565353535e+00 -4.504769700e+00 2.86 -4.163485542e+00 -4.570382411e+00 -4.534202920e+00 2.88 -4.104674160e+00 -4.569313328e+00 -4.556493782e+00 2.90 -4.042561211e+00 -4.562561789e+00 -4.572174957e+00 2.92 -3.977498255e+00 -4.550446002e+00 -4.581774429e+00 2.94 -3.909823107e+00 -4.533041461e+00 -4.585798190e+00 2.96 -3.839852064e+00 -4.510428447e+00 -4.584714746e+00 2.98 -3.767876562e+00 -4.482766784e+00 -4.578942986e+00 3.00 -3.694165425e+00 -4.450288972e+00 -4.568769905e+00 3.02 -3.618972928e+00 -4.413292392e+00 -4.554217276e+00 3.04 -3.542550500e+00 -4.372127299e+00 -4.535273566e+00 3.06 -3.465158467e+00 -4.327179318e+00 -4.511969069e+00 3.08 -3.387073818e+00 -4.278844479e+00 -4.484370441e+00 3.10 -3.308590832e+00 -4.227502314e+00 -4.452575672e+00 3.12 -3.230013427e+00 -4.173502867e+00 -4.416709108e+00 3.14 -3.151640933e+00 -4.117156961e+00 -4.376916567e+00 3.16 -3.073751344e+00 -4.058732217e+00 -4.333360902e+00 3.18 -2.996586964e+00 -3.998456811e+00 -4.286216210e+00 3.20 -2.920345979e+00 -3.936526522e+00 -4.235663534e+00 3.22 -2.845180898e+00 -3.873112871e+00 -4.181895473e+00 3.24 -2.771202360e+00 -3.808370327e+00 -4.125118180e+00 3.26 -2.698485714e+00 -3.742441720e+00 -4.065554767e+00 3.28 -2.627078127e+00 -3.675461769e+00 -4.003449541e+00 3.30 -2.557005013e+00 -3.607559083e+00 -3.939071902e+00 3.32 -2.488275439e+00 -3.538857159e+00 -3.872717938e+00 3.34 -2.420886580e+00 -3.469474887e+00 -3.804707790e+00 3.36 -2.354827749e+00 -3.399526998e+00 -3.735377618e+00 3.38 -2.290083068e+00 -3.329124798e+00 -3.665066553e+00 3.40 -2.226634167e+00 -3.258377382e+00 -3.594100767e+00 3.42 -2.164461793e+00 -3.187393671e+00 -3.522778073e+00 3.44 -2.103547236e+00 -3.116284692e+00 -3.451356447e+00 3.46 -2.043872712e+00 -3.045166635e+00 -3.380048585e+00 3.48 -1.985422086e+00 -2.974163623e+00 -3.309022696e+00 3.50 -1.928180992e+00 -2.903409724e+00 -3.238407875e+00 3.52 -1.872137279e+00 -2.833049317e+00 -3.168302711e+00 3.54 -1.817280598e+00 -2.763235054e+00 -3.098782517e+00 3.56 -1.763602700e+00 -2.694123111e+00 -3.029907046e+00 3.58 -1.711097212e+00 -2.625866096e+00 -2.961725444e+00 3.60 -1.659759386e+00 -2.558604744e+00 -2.894279543e+00 3.62 -1.609585731e+00 -2.492460056e+00 -2.827605728e+00 3.64 -1.560573549e+00 -2.427527489e+00 -2.761735856e+00 3.66 -1.512720387e+00 -2.363874247e+00 -2.696697677e+00 3.68 -1.466023474e+00 -2.301539893e+00 -2.632515048e+00 3.70 -1.420479169e+00 -2.240539674e+00 -2.569208097e+00 3.72 -1.376082475e+00 -2.180869498e+00 -2.506793412e+00 3.74 -1.332826652e+00 -2.122511457e+00 -2.445284250e+00 3.76 -1.290702945e+00 -2.065438993e+00 -2.384690779e+00 3.78 -1.249700440e+00 -2.009621187e+00 -2.325020338e+00 3.80 -1.209806031e+00 -1.955025958e+00 -2.266277709e+00 3.82 -1.171004495e+00 -1.901622226e+00 -2.208465441e+00 3.84 -1.133278642e+00 -1.849381179e+00 -2.151584202e+00 3.86 -1.096609524e+00 -1.798276869e+00 -2.095633205e+00 3.88 -1.060976667e+00 -1.748286323e+00 -2.040610710e+00 3.90 -1.026358318e+00 -1.699389339e+00 -1.986514606e+00 3.92 -9.927316144e-01 -1.651568036e+00 -1.933343010e+00 3.94 -9.600730202e-01 -1.604806641e+00 -1.881095447e+00 3.96 -9.283581151e-01 -1.559090558e+00 -1.829773067e+00 3.98 -8.975619737e-01 -1.514406192e+00 -1.779379981e+00 4.00 -8.676591735e-01 -1.470740437e+00 -1.729923953e+00 4.02 -8.386238378e-01 -1.428080323e+00 -1.681417030e+00 4.04 -8.104296559e-01 -1.386412748e+00 -1.633875815e+00 4.06 -7.830498921e-01 -1.345724304e+00 -1.587321218e+00 4.08 -7.564573968e-01 -1.306001200e+00 -1.541777558e+00 4.10 -7.306246331e-01 -1.267229078e+00 -1.497270977e+00 4.12 -7.055237299e-01 -1.229393928e+00 -1.453827274e+00 4.14 -6.811265732e-01 -1.192480986e+00 -1.411469403e+00 4.16 -6.574049449e-01 -1.156475858e+00 -1.370214989e+00 4.18 -6.343307168e-01 -1.121364542e+00 -1.330074248e+00 4.20 -6.118759653e-01 -1.087133687e+00 -1.291048634e+00 4.22 -5.900138804e-01 -1.053770802e+00 -1.253130372e+00 4.24 -5.687182186e-01 -1.021264400e+00 -1.216302870e+00 4.26 -5.479643905e-01 -9.896040188e-01 -1.180541858e+00 4.28 -5.277297581e-01 -9.587801102e-01 -1.145816987e+00 4.30 -5.079941113e-01 -9.287837753e-01 -1.112093641e+00 4.32 -4.887401122e-01 -8.996063730e-01 -1.079334699e+00 4.34 -4.699536564e-01 -8.712390285e-01 -1.047502107e+00 4.36 -4.516240629e-01 -8.436721007e-01 -1.016558153e+00 4.38 -4.337442349e-01 -8.168946719e-01 -9.864664147e-01 4.40 -4.163102449e-01 -7.908941215e-01 -9.571923892e-01 4.42 -3.993210164e-01 -7.656558324e-01 -9.287038497e-01 4.44 -3.827775828e-01 -7.411630552e-01 -9.009709685e-01 4.46 -3.666821998e-01 -7.173969301e-01 -8.739662654e-01 4.48 -3.510373731e-01 -6.943366463e-01 -8.476644298e-01 4.50 -3.358449250e-01 -6.719597004e-01 -8.220420633e-01 4.52 -3.211052393e-01 -6.502422150e-01 -7.970771492e-01 4.54 -3.068168081e-01 -6.291592755e-01 -7.727497206e-01 4.56 -2.929761588e-01 -6.086852565e-01 -7.490400448e-01 4.58 -2.795781930e-01 -5.887941168e-01 -7.259294455e-01 4.60 -2.666168841e-01 -5.694596566e-01 -7.033998214e-01 4.62 -2.540862270e-01 -5.506557366e-01 -6.814335063e-01 4.64 -2.419812720e-01 -5.323564688e-01 -6.600131933e-01 4.66 -2.302990545e-01 -5.145363915e-01 -6.391219208e-01 4.68 -2.190392314e-01 -4.971706442e-01 -6.187431221e-01 4.70 -2.082042739e-01 -4.802351570e-01 -5.988607334e-01 4.72 -1.977991345e-01 -4.637068690e-01 -5.794593539e-01 4.74 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-9.888761205e-03 -3.734056009e-02 -5.584902502e-02 5.82 -9.044367894e-03 -3.419868911e-02 -5.116149958e-02 5.84 -8.238327088e-03 -3.118844915e-02 -4.666805583e-02 5.86 -7.473400796e-03 -2.832275216e-02 -4.238840179e-02 5.88 -6.751959553e-03 -2.561268939e-02 -3.833948856e-02 5.90 -6.075845666e-03 -2.306704933e-02 -3.453479297e-02 5.92 -5.446277049e-03 -2.069188136e-02 -3.098366583e-02 5.94 -4.863795796e-03 -1.849028653e-02 -2.769098567e-02 5.96 -4.328261096e-03 -1.646298828e-02 -2.465809664e-02 5.98 -3.838882044e-03 -1.460802614e-02 -2.188230063e-02 6.00 -3.394282801e-03 -1.292100000e-02 -1.935706329e-02