# 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 = AuFe3 # 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 2.755091896e+02 nan nan 1.16 2.499689558e+02 nan nan 1.18 2.267498775e+02 nan nan 1.20 2.056268963e+02 nan nan 1.22 1.864029493e+02 nan nan 1.24 1.689060136e+02 nan nan 1.26 1.529838695e+02 nan nan 1.28 1.384979806e+02 2.319151403e+02 2.718764991e+02 1.30 1.253194053e+02 2.119499921e+02 2.491195174e+02 1.32 1.133277751e+02 1.936538332e+02 2.282488714e+02 1.34 1.024118515e+02 1.768795536e+02 2.090997229e+02 1.36 9.247001441e+01 1.614949758e+02 1.915212164e+02 1.38 8.341032529e+01 1.473816797e+02 1.753759471e+02 1.40 7.515044426e+01 1.344329767e+02 1.605396588e+02 1.42 6.761736446e+01 1.225518108e+02 1.469008087e+02 1.44 6.074659906e+01 1.116493324e+02 1.343595018e+02 1.46 5.448075261e+01 1.016442467e+02 1.228256687e+02 1.48 4.876798289e+01 9.246253822e+01 1.122170682e+02 1.50 4.356097572e+01 8.403706531e+01 1.024579115e+02 1.52 3.882609409e+01 7.630673461e+01 9.347838292e+01 1.54 3.453413144e+01 6.921539231e+01 8.521468566e+01 1.56 3.064625935e+01 6.271085041e+01 7.760903308e+01 1.58 2.712711670e+01 5.674435401e+01 7.060923247e+01 1.60 2.394407292e+01 5.127047161e+01 6.416786921e+01 1.62 2.106678483e+01 4.624717410e+01 5.824135192e+01 1.64 1.846697860e+01 4.163588219e+01 5.278913547e+01 1.66 1.611841350e+01 3.741114110e+01 4.777330922e+01 1.68 1.399692394e+01 3.355018946e+01 4.315852685e+01 1.70 1.208042072e+01 3.002216198e+01 3.891433475e+01 1.72 1.034879527e+01 2.679913330e+01 3.502283720e+01 1.74 8.783770869e+00 2.385577050e+01 3.145719621e+01 1.76 7.368789748e+00 2.116905454e+01 2.819123071e+01 1.78 6.088975742e+00 1.871799427e+01 2.520103925e+01 1.80 4.931125756e+00 1.648336274e+01 2.246468807e+01 1.82 3.883645688e+00 1.444748205e+01 1.996192536e+01 1.84 2.936387261e+00 1.259406631e+01 1.767392517e+01 1.86 2.080418185e+00 1.090810251e+01 1.558307442e+01 1.88 1.307797469e+00 9.375733603e+00 1.367283534e+01 1.90 6.114021002e-01 7.984122774e+00 1.192771659e+01 1.92 -1.519919162e-02 6.721305359e+00 1.033334924e+01 1.94 -5.778501838e-01 5.576055652e+00 8.876608514e+00 1.96 -1.081900636e+00 4.537798192e+00 7.545696038e+00 1.98 -1.532283635e+00 3.596580890e+00 6.330125670e+00 2.00 -1.933570666e+00 2.743108771e+00 5.220610628e+00 2.02 -2.290006172e+00 1.968819754e+00 4.208888149e+00 2.04 -2.605528993e+00 1.265970229e+00 3.287526720e+00 2.06 -2.883788444e+00 6.276930747e-01 2.449751076e+00 2.08 -3.128160361e+00 4.799965605e-02 1.689304909e+00 2.10 -3.341765258e+00 -4.782819451e-01 1.000356540e+00 2.12 -3.527487849e+00 -9.556187267e-01 3.774409527e-01 2.14 -3.687994646e+00 -1.387908380e+00 -1.845749886e-01 2.16 -3.825744786e+00 -1.778611843e+00 -6.905175184e-01 2.18 -3.942990251e+00 -2.130863639e+00 -1.144929615e+00 2.20 -4.041766147e+00 -2.447551507e+00 -1.552095089e+00 2.22 -4.123878043e+00 -2.731366062e+00 -1.916059672e+00 2.24 -4.190897028e+00 -2.984826888e+00 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-4.356842559e+00 -4.330947916e+00 2.62 -3.655623124e+00 -4.330294995e+00 -4.338089204e+00 2.64 -3.556749218e+00 -4.298377429e+00 -4.339438164e+00 2.66 -3.452896930e+00 -4.261655147e+00 -4.335402609e+00 2.68 -3.344912155e+00 -4.220558469e+00 -4.326345811e+00 2.70 -3.233739579e+00 -4.175029444e+00 -4.312577935e+00 2.72 -3.120373276e+00 -4.124820648e+00 -4.294354111e+00 2.74 -3.005800540e+00 -4.069781164e+00 -4.271886718e+00 2.76 -2.890947783e+00 -4.009857350e+00 -4.245246478e+00 2.78 -2.776637045e+00 -3.945091008e+00 -4.214100097e+00 2.80 -2.663559401e+00 -3.875618285e+00 -4.178101228e+00 2.82 -2.552267856e+00 -3.801666132e+00 -4.136999668e+00 2.84 -2.443188185e+00 -3.723543841e+00 -4.090636752e+00 2.86 -2.336642589e+00 -3.641628462e+00 -4.038941628e+00 2.88 -2.232878789e+00 -3.556344463e+00 -3.981925823e+00 2.90 -2.132097034e+00 -3.468139637e+00 -3.919674221e+00 2.92 -2.034469282e+00 -3.377460366e+00 -3.852332041e+00 2.94 -1.940147962e+00 -3.284729640e+00 -3.780088874e+00 2.96 -1.849264902e+00 -3.190330617e+00 -3.703161954e+00 2.98 -1.761923520e+00 -3.094597173e+00 -3.621781095e+00 3.00 -1.678188356e+00 -2.997811438e+00 -3.536177164e+00 3.02 -1.598075958e+00 -2.900207046e+00 -3.446575137e+00 3.04 -1.521550031e+00 -2.801976285e+00 -3.353191983e+00 3.06 -1.448522307e+00 -2.703279382e+00 -3.256239162e+00 3.08 -1.378859149e+00 -2.604254844e+00 -3.155929355e+00 3.10 -1.312392717e+00 -2.505030508e+00 -3.052486912e+00 3.12 -1.248934917e+00 -2.405735474e+00 -2.946161332e+00 3.14 -1.188292127e+00 -2.306513066e+00 -2.837242779e+00 3.16 -1.130278923e+00 -2.207534388e+00 -2.726078165e+00 3.18 -1.074729409e+00 -2.109011254e+00 -2.613085845e+00 3.20 -1.021505270e+00 -2.011206568e+00 -2.498766583e+00 3.22 -9.705000906e-01 -1.914439989e+00 -2.383708314e+00 3.24 -9.216398959e-01 -1.819087045e+00 -2.268582506e+00 3.26 -8.748802466e-01 -1.725570647e+00 -2.154130730e+00 3.28 -8.302004961e-01 -1.634345118e+00 -2.041141309e+00 3.30 -7.875960860e-01 -1.545874124e+00 -1.930417542e+00 3.32 -7.470699112e-01 -1.460604959e+00 -1.822740521e+00 3.34 -7.086238244e-01 -1.378942368e+00 -1.718830787e+00 3.36 -6.722512563e-01 -1.301225166e+00 -1.619313439e+00 3.38 -6.379315655e-01 -1.227708451e+00 -1.524690861e+00 3.40 -6.056267056e-01 -1.158553210e+00 -1.435325949e+00 3.42 -5.752809187e-01 -1.093823892e+00 -1.351436944e+00 3.44 -5.468209647e-01 -1.033493329e+00 -1.273103207e+00 3.46 -5.201586985e-01 -9.774534955e-01 -1.200279793e+00 3.48 -4.951946363e-01 -9.255301084e-01 -1.132817871e+00 3.50 -4.718218736e-01 -8.774989905e-01 -1.070487840e+00 3.52 -4.499299163e-01 -8.331023957e-01 -1.013002388e+00 3.54 -4.294080997e-01 -7.920639399e-01 -9.600374687e-01 3.56 -4.101484037e-01 -7.541012936e-01 -9.112500364e-01 3.58 -3.920475895e-01 -7.189362566e-01 -8.662921336e-01 3.60 -3.750086738e-01 -6.863022005e-01 -8.248215082e-01 3.62 -3.589418128e-01 -6.559491098e-01 -7.865092396e-01 3.64 -3.437646968e-01 -6.276465857e-01 -7.510449545e-01 3.66 -3.294025674e-01 -6.011852287e-01 -7.181401638e-01 3.68 -3.157879595e-01 -5.763768010e-01 -6.875301485e-01 3.70 -3.028602608e-01 -5.530535311e-01 -6.589747141e-01 3.72 -2.905651602e-01 -5.310668575e-01 -6.322580586e-01 3.74 -2.788540431e-01 -5.102855968e-01 -6.071879560e-01 3.76 -2.676833739e-01 -4.905947465e-01 -5.835944306e-01 3.78 -2.570140940e-01 -4.718936089e-01 -5.613280888e-01 3.80 -2.468110533e-01 -4.540937488e-01 -5.402582244e-01 3.82 -2.370424858e-01 -4.371174694e-01 -5.202706159e-01 3.84 -2.276795328e-01 -4.208963874e-01 -5.012663896e-01 3.86 -2.186958162e-01 -4.053701386e-01 -4.831596305e-01 3.88 -2.100670587e-01 -3.904852250e-01 -4.658755593e-01 3.90 -2.017707500e-01 -3.761940057e-01 -4.493490528e-01 3.92 -1.937858525e-01 -3.624538240e-01 -4.335232946e-01 3.94 -1.860925473e-01 -3.492262675e-01 -4.183485778e-01 3.96 -1.786720108e-01 -3.364765433e-01 -4.037812505e-01 3.98 -1.715062260e-01 -3.241729707e-01 -3.897828094e-01 4.00 -1.645778225e-01 -3.122865751e-01 -3.763191199e-01 4.02 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-1.191899887e-04 -1.784457400e-04 5.80 -1.490322007e-06 -1.031767309e-04 -1.544709604e-04 5.82 -1.292470407e-06 -8.935816823e-05 -1.337820941e-04 5.84 -1.121475295e-06 -7.742838161e-05 -1.159211134e-04 5.86 -9.736104279e-07 -6.712461978e-05 -1.004946217e-04 5.88 -8.456778219e-07 -5.822117814e-05 -8.716468928e-05 5.90 -7.349312585e-07 -5.052413908e-05 -7.564097850e-05 5.92 -6.390111084e-07 -4.386685617e-05 -6.567398289e-05 5.94 -5.558887534e-07 -3.810607945e-05 -5.704922594e-05 5.96 -4.838191590e-07 -3.311863232e-05 -4.958228558e-05 5.98 -4.213003870e-07 -2.879856243e-05 -4.311452857e-05 6.00 -3.670390115e-07 -2.505469958e-05 -3.750945395e-05