# 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 = Al3Au # 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 1.534982084e+02 nan nan 1.16 1.420242148e+02 nan nan 1.18 1.314271231e+02 nan nan 1.20 1.216326436e+02 nan nan 1.22 1.125716982e+02 nan nan 1.24 1.041811456e+02 nan nan 1.26 9.640390161e+01 nan nan 1.28 8.918917138e+01 1.345830892e+02 1.532242538e+02 1.30 8.249207880e+01 1.253453895e+02 1.429562221e+02 1.32 7.627197293e+01 1.167418364e+02 1.333902727e+02 1.34 7.049085995e+01 1.087251988e+02 1.244717512e+02 1.36 6.511343807e+01 1.012515062e+02 1.161498399e+02 1.38 6.010802176e+01 9.427874092e+01 1.083786140e+02 1.40 5.544672415e+01 8.776724633e+01 1.011176876e+02 1.42 5.110452462e+01 8.168088438e+01 9.433120565e+01 1.44 4.705823773e+01 7.598798462e+01 8.798617115e+01 1.46 4.328622671e+01 7.066149704e+01 8.205166022e+01 1.48 3.977252329e+01 6.567807558e+01 7.649897793e+01 1.50 3.651063782e+01 6.101649546e+01 7.130178691e+01 1.52 3.348306416e+01 5.665634810e+01 6.643570090e+01 1.54 3.067442220e+01 5.257756417e+01 6.187761512e+01 1.56 2.807220290e+01 4.876052729e+01 5.760528966e+01 1.58 2.565971498e+01 4.518633454e+01 5.359742725e+01 1.60 2.342144406e+01 4.183704766e+01 4.983408634e+01 1.62 2.134345136e+01 3.870232615e+01 4.629712291e+01 1.64 1.941337380e+01 3.577324384e+01 4.297045912e+01 1.66 1.762030040e+01 3.303525116e+01 3.984129139e+01 1.68 1.595457920e+01 3.047752727e+01 3.690680346e+01 1.70 1.440757890e+01 2.809137534e+01 3.415686493e+01 1.72 1.297143953e+01 2.586538526e+01 3.158082462e+01 1.74 1.163884058e+01 2.378826492e+01 2.917190755e+01 1.76 1.040281107e+01 2.184921490e+01 2.691967371e+01 1.78 9.256617385e+00 2.003802697e+01 2.481370300e+01 1.80 8.193755217e+00 1.834520787e+01 2.284421457e+01 1.82 7.208027616e+00 1.676209225e+01 2.100210532e+01 1.84 6.293650367e+00 1.528090999e+01 1.927899777e+01 1.86 5.445321163e+00 1.389478247e+01 1.766725398e+01 1.88 4.658221866e+00 1.259765199e+01 1.615990747e+01 1.90 3.927971577e+00 1.138416558e+01 1.475051498e+01 1.92 3.250574856e+00 1.024953215e+01 1.343299309e+01 1.94 2.622392584e+00 9.189369100e+00 1.220151840e+01 1.96 2.040129716e+00 8.199562037e+00 1.105051482e+01 1.98 1.500822521e+00 7.276166073e+00 9.974685316e+00 2.00 1.001818252e+00 6.415364730e+00 8.969034135e+00 2.02 5.407495067e-01 5.613476639e+00 8.028862512e+00 2.04 1.155041255e-01 4.866979723e+00 7.149756275e+00 2.06 -2.758149564e-01 4.172521143e+00 6.327588716e+00 2.08 -6.349462169e-01 3.526899378e+00 5.558544233e+00 2.10 -9.635416041e-01 2.927028508e+00 4.839149128e+00 2.12 -1.263242123e+00 2.369906783e+00 4.166289613e+00 2.14 -1.535738572e+00 1.852606889e+00 3.537203974e+00 2.16 -1.782802920e+00 1.372292845e+00 2.949446633e+00 2.18 -2.006286437e+00 9.262575781e-01 2.400829136e+00 2.20 -2.208089678e+00 5.119691080e-01 1.889347100e+00 2.22 -2.390111367e+00 1.271112580e-01 1.413106225e+00 2.24 -2.554183736e+00 -2.303919613e-01 9.702635501e-01 2.26 -2.702004895e+00 -5.623720246e-01 5.589975606e-01 2.28 -2.835082794e+00 -8.704279576e-01 1.775094511e-01 2.30 -2.954704238e+00 -1.155947663e+00 -1.759555730e-01 2.32 -3.061934563e+00 -1.420132877e+00 -5.030841418e-01 2.34 -3.157643161e+00 -1.664025216e+00 -8.054796280e-01 2.36 -3.242543468e+00 -1.888533905e+00 -1.084658774e+00 2.38 -3.317236027e+00 -2.094466237e+00 -1.342056994e+00 2.40 -3.382247359e+00 -2.282561059e+00 -1.579038915e+00 2.42 -3.438061819e+00 -2.453523763e+00 -1.796912441e+00 2.44 -3.485145856e+00 -2.608059638e+00 -1.996944538e+00 2.46 -3.523964054e+00 -2.746901936e+00 -2.180375060e+00 2.48 -3.555022902e+00 -2.870831605e+00 -2.348422670e+00 2.50 -3.578866320e+00 -2.980687773e+00 -2.502277283e+00 2.52 -3.597774166e+00 -3.077370870e+00 -2.643077403e+00 2.54 -3.612337093e+00 -3.161842123e+00 -2.771877619e+00 2.56 -3.622058875e+00 -3.235122137e+00 -2.889616436e+00 2.58 -3.626560878e+00 -3.298286602e+00 -2.997094908e+00 2.60 -3.625585510e+00 -3.352452002e+00 -3.094971433e+00 2.62 -3.619012334e+00 -3.398743456e+00 -3.183771411e+00 2.64 -3.606877856e+00 -3.438243571e+00 -3.263906186e+00 2.66 -3.589389019e+00 -3.471931755e+00 -3.335695019e+00 2.68 -3.566946827e+00 -3.500652079e+00 -3.399386390e+00 2.70 -3.540108450e+00 -3.525306827e+00 -3.455177488e+00 2.72 -3.509500102e+00 -3.546792574e+00 -3.503233131e+00 2.74 -3.475762100e+00 -3.565706953e+00 -3.543706194e+00 2.76 -3.439501661e+00 -3.582626423e+00 -3.576761340e+00 2.78 -3.401259967e+00 -3.596990485e+00 -3.602611531e+00 2.80 -3.361494962e+00 -3.608333204e+00 -3.621650043e+00 2.82 -3.320576858e+00 -3.616285071e+00 -3.635830146e+00 2.84 -3.278792458e+00 -3.620558505e+00 -3.645753045e+00 2.86 -3.236354960e+00 -3.620934638e+00 -3.651299559e+00 2.88 -3.193416926e+00 -3.617253259e+00 -3.652546869e+00 2.90 -3.150084132e+00 -3.609410398e+00 -3.649735699e+00 2.92 -3.106428680e+00 -3.597355044e+00 -3.643221778e+00 2.94 -3.062499949e+00 -3.581102559e+00 -3.633417749e+00 2.96 -3.018332836e+00 -3.560732067e+00 -3.620735558e+00 2.98 -2.973953617e+00 -3.536385857e+00 -3.605539701e+00 3.00 -2.929383723e+00 -3.508279885e+00 -3.588144158e+00 3.02 -2.884641999e+00 -3.476710255e+00 -3.568791633e+00 3.04 -2.839745801e+00 -3.442051610e+00 -3.547641248e+00 3.06 -2.794711301e+00 -3.404744439e+00 -3.524786945e+00 3.08 -2.749553323e+00 -3.365270701e+00 -3.500278427e+00 3.10 -2.704285070e+00 -3.324121154e+00 -3.474140059e+00 3.12 -2.658918052e+00 -3.281760205e+00 -3.446385506e+00 3.14 -2.613462462e+00 -3.238595511e+00 -3.417027606e+00 3.16 -2.567928089e+00 -3.194957630e+00 -3.386084039e+00 3.18 -2.522325724e+00 -3.151092367e+00 -3.353579765e+00 3.20 -2.476668837e+00 -3.107164507e+00 -3.319547274e+00 3.22 -2.430975228e+00 -3.063269613e+00 -3.284025551e+00 3.24 -2.385268315e+00 -3.019449774e+00 -3.247058397e+00 3.26 -2.339577780e+00 -2.975709772e+00 -3.208692723e+00 3.28 -2.293939440e+00 -2.932031398e+00 -3.168977104e+00 3.30 -2.248394319e+00 -2.888384874e+00 -3.127960944e+00 3.32 -2.202987103e+00 -2.844737287e+00 -3.085694446e+00 3.34 -2.157764201e+00 -2.801058444e+00 -3.042229594e+00 3.36 -2.112771763e+00 -2.757324708e+00 -2.997622241e+00 3.38 -2.068053802e+00 -2.713521379e+00 -2.951935326e+00 3.40 -2.023650804e+00 -2.669643992e+00 -2.905243081e+00 3.42 -1.979598792e+00 -2.625698835e+00 -2.857635839e+00 3.44 -1.935928967e+00 -2.581702761e+00 -2.809224807e+00 3.46 -1.892667730e+00 -2.537682484e+00 -2.760145875e+00 3.48 -1.849837133e+00 -2.493673372e+00 -2.710561401e+00 3.50 -1.807455449e+00 -2.449717868e+00 -2.660658924e+00 3.52 -1.765537815e+00 -2.405863648e+00 -2.610646316e+00 3.54 -1.724096651e+00 -2.362161652e+00 -2.560743056e+00 3.56 -1.683141950e+00 -2.318664117e+00 -2.511168966e+00 3.58 -1.642681245e+00 -2.275422717e+00 -2.462131643e+00 3.60 -1.602719305e+00 -2.232486896e+00 -2.413814681e+00 3.62 -1.563257599e+00 -2.189902424e+00 -2.366368469e+00 3.64 -1.524293610e+00 -2.147710211e+00 -2.319904736e+00 3.66 -1.485820062e+00 -2.105945365e+00 -2.274495151e+00 3.68 -1.447824181e+00 -2.064636476e+00 -2.230173511e+00 3.70 -1.410287053e+00 -2.023805112e+00 -2.186940481e+00 3.72 -1.373183165e+00 -1.983465515e+00 -2.144769735e+00 3.74 -1.336480203e+00 -1.943624480e+00 -2.103614430e+00 3.76 -1.300139163e+00 -1.904281429e+00 -2.063413281e+00 3.78 -1.264114868e+00 -1.865428670e+00 -2.024095825e+00 3.80 -1.228356940e+00 -1.827051856e+00 -1.985586756e+00 3.82 -1.192811315e+00 -1.789130638e+00 -1.947809390e+00 3.84 -1.157422371e+00 -1.751639487e+00 -1.910688422e+00 3.86 -1.122135704e+00 -1.714548671e+00 -1.874152143e+00 3.88 -1.086901567e+00 -1.677825323e+00 -1.838134254e+00 3.90 -1.051678903e+00 -1.641434545e+00 -1.802575340e+00 3.92 -1.016439792e+00 -1.605340474e+00 -1.767424036e+00 3.94 -9.811740728e-01 -1.569507289e+00 -1.732637926e+00 3.96 -9.458935675e-01 -1.533899983e+00 -1.698183948e+00 3.98 -9.106355182e-01 -1.498485058e+00 -1.664038547e+00 4.00 -8.754644556e-01 -1.463231016e+00 -1.630187360e+00 4.02 -8.404719384e-01 -1.428108755e+00 -1.596624530e+00 4.04 -8.057736937e-01 -1.393091927e+00 -1.563351712e+00 4.06 -7.715040152e-01 -1.358157381e+00 -1.530376827e+00 4.08 -7.378077010e-01 -1.323285778e+00 -1.497712686e+00 4.10 -7.048302731e-01 -1.288462462e+00 -1.465375565e+00 4.12 -6.727076043e-01 -1.253678796e+00 -1.433383821e+00 4.14 -6.415562565e-01 -1.218933574e+00 -1.401756626e+00 4.16 -6.114657704e-01 -1.184234999e+00 -1.370512860e+00 4.18 -5.824938222e-01 -1.149602655e+00 -1.339670192e+00 4.20 -5.546646677e-01 -1.115069416e+00 -1.309244346e+00 4.22 -5.279709174e-01 -1.080682952e+00 -1.279248558e+00 4.24 -5.023778307e-01 -1.046506489e+00 -1.249693189e+00 4.26 -4.778297680e-01 -1.012618472e+00 -1.220585468e+00 4.28 -4.542576025e-01 -9.791108779e-01 -1.191929351e+00 4.30 -4.315863941e-01 -9.460860485e-01 -1.163725454e+00 4.32 -4.097426029e-01 -9.136521524e-01 -1.135971038e+00 4.34 -3.886603078e-01 -8.819175852e-01 -1.108660034e+00 4.36 -3.682860447e-01 -8.509848429e-01 -1.081783080e+00 4.38 -3.485820525e-01 -8.209445154e-01 -1.055327562e+00 4.40 -3.295277240e-01 -7.918700576e-01 -1.029277654e+00 4.42 -3.111193589e-01 -7.638138821e-01 -1.003614347e+00 4.44 -2.933682495e-01 -7.368051077e-01 -9.783154661e-01 4.46 -2.762973805e-01 -7.108490479e-01 -9.533556878e-01 4.48 -2.599371115e-01 -6.859282857e-01 -9.287065445e-01 4.50 -2.443203239e-01 -6.620050046e-01 -9.043364428e-01 4.52 -2.294775650e-01 -6.390241591e-01 -8.802106650e-01 4.54 -2.154327041e-01 -6.169170572e-01 -8.562915685e-01 4.56 -2.021995174e-01 -5.956049906e-01 -8.325385028e-01 4.58 -1.897794792e-01 -5.750026423e-01 -8.089081495e-01 4.60 -1.781608446e-01 -5.550211091e-01 -7.853547883e-01 4.62 -1.673189496e-01 -5.355704755e-01 -7.618307366e-01 4.64 -1.572175172e-01 -5.165619509e-01 -7.382869604e-01 4.66 -1.478106860e-01 -4.979096378e-01 -7.146738939e-01 4.68 -1.390454575e-01 -4.795320247e-01 -6.909425039e-01 4.70 -1.308642850e-01 -4.613533074e-01 -6.670456308e-01 4.72 -1.232075887e-01 -4.433046368e-01 -6.429396293e-01 4.74 -1.160160421e-01 -4.253253696e-01 -6.185863156e-01 4.76 -1.092325473e-01 -4.073643712e-01 -5.939552020e-01 4.78 -1.028038620e-01 -3.893813864e-01 -5.690259700e-01 4.80 -9.668187810e-02 -3.713484338e-01 -5.437910873e-01 4.82 -9.082457383e-02 -3.532512568e-01 -5.182584284e-01 4.84 -8.519666160e-02 -3.350904623e-01 -4.924537081e-01 4.86 -7.976983099e-02 -3.168825541e-01 -4.664224915e-01 4.88 -7.452296238e-02 -2.986604207e-01 -4.402315163e-01 4.90 -6.944229131e-02 -2.804732147e-01 -4.139690588e-01 4.92 -6.452054977e-02 -2.623854566e-01 -3.877441093e-01 4.94 -5.975633668e-02 -2.444752606e-01 -3.616841978e-01 4.96 -5.515325952e-02 -2.268316648e-01 -3.359318285e-01 4.98 -5.071886486e-02 -2.095511437e-01 -3.106396313e-01 5.00 -4.646343172e-02 -1.927334882e-01 -2.859644957e-01 5.02 -4.239870149e-02 -1.764773317e-01 -2.620610997e-01 5.04 -3.853662491e-02 -1.608756638e-01 -2.390753445e-01 5.06 -3.488820890e-02 -1.460116930e-01 -2.171382391e-01 5.08 -3.146256591e-02 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-3.145665443e-03 -1.325139504e-02 -1.981994186e-02 5.46 -2.737159513e-03 -1.152197387e-02 -1.723442493e-02 5.48 -2.381412207e-03 -1.001670138e-02 -1.498351157e-02 5.50 -2.071831252e-03 -8.707569673e-03 -1.302558794e-02 5.52 -1.802575501e-03 -7.569726908e-03 -1.132365503e-02 5.54 -1.568489789e-03 -6.581221228e-03 -9.844974914e-03 5.56 -1.365039652e-03 -5.722735673e-03 -8.560735409e-03 5.58 -1.188247951e-03 -4.977325695e-03 -7.445617313e-03 5.60 -1.034634759e-03 -4.330167067e-03 -6.477466486e-03 5.62 -9.011613565e-04 -3.768319094e-03 -5.636936166e-03 5.64 -7.851787695e-04 -3.280505881e-03 -4.907163928e-03 5.66 -6.843810045e-04 -2.856916894e-03 -4.273475913e-03 5.68 -5.967629383e-04 -2.489026954e-03 -3.723119151e-03 5.70 -5.205826730e-04 -2.169435121e-03 -3.245021482e-03 5.72 -4.543280890e-04 -1.891721427e-03 -2.829577804e-03 5.74 -3.966872764e-04 -1.650320192e-03 -2.468460875e-03 5.76 -3.465225036e-04 -1.440408495e-03 -2.154454632e-03 5.78 -3.028473808e-04 -1.257808350e-03 -1.881307941e-03 5.80 -2.648068846e-04 -1.098901178e-03 -1.643606676e-03 5.82 -2.316599254e-04 -9.605532058e-04 -1.436662118e-03 5.84 -2.027641674e-04 -8.400505383e-04 -1.256413819e-03 5.86 -1.775628287e-04 -7.350427449e-04 -1.099345188e-03 5.88 -1.555732217e-04 -6.434939132e-04 -9.624102510e-04 5.90 -1.363768131e-04 -5.636402301e-04 -8.429701739e-04 5.92 -1.196106107e-04 -4.939532524e-04 -7.387382991e-04 5.94 -1.049597052e-04 -4.331081264e-04 -6.477325890e-04 5.96 -9.215081424e-05 -3.799561051e-04 -5.682345000e-04 5.98 -8.094669800e-05 -3.335007918e-04 -4.987534330e-04 6.00 -7.114132869e-05 -2.928776096e-04 -4.379960122e-04