# 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 = AgFeTa2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.263289606e+02 3.263289606e+02 1.30 3.014633559e+02 3.014633559e+02 1.32 2.784989191e+02 2.784989191e+02 1.34 2.572749022e+02 2.572749022e+02 1.36 2.376472856e+02 2.376472856e+02 1.38 2.194874754e+02 2.194874754e+02 1.40 2.026804121e+02 2.026804121e+02 1.42 1.871226082e+02 1.871226082e+02 1.44 1.727201836e+02 1.727201836e+02 1.46 1.593869346e+02 1.593869346e+02 1.48 1.470426199e+02 1.470426199e+02 1.50 1.356116673e+02 1.356116673e+02 1.52 1.250224859e+02 1.250224859e+02 1.54 1.152075330e+02 1.152075330e+02 1.56 1.061040383e+02 1.061040383e+02 1.58 9.765488837e+01 9.765488837e+01 1.60 8.980906476e+01 8.980906476e+01 1.62 8.252136537e+01 8.252136537e+01 1.64 7.575158739e+01 7.575158739e+01 1.66 6.946353938e+01 6.946353938e+01 1.68 6.362415977e+01 6.362415977e+01 1.70 5.820284779e+01 5.820284779e+01 1.72 5.317100057e+01 5.317100057e+01 1.74 4.850171987e+01 4.850171987e+01 1.76 4.416966070e+01 4.416966070e+01 1.78 4.015099497e+01 4.015099497e+01 1.80 3.642344371e+01 3.642344371e+01 1.82 3.297039294e+01 3.297039294e+01 1.84 2.977914366e+01 2.977914366e+01 1.86 2.683131779e+01 2.683131779e+01 1.88 2.410980018e+01 2.410980018e+01 1.90 2.159930970e+01 2.159930970e+01 1.92 1.928551163e+01 1.928551163e+01 1.94 1.715393682e+01 1.715393682e+01 1.96 1.519063052e+01 1.519063052e+01 1.98 1.338211527e+01 1.338211527e+01 2.00 1.171547255e+01 1.171547255e+01 2.02 1.017852651e+01 1.017852651e+01 2.04 8.760077485e+00 8.760077485e+00 2.06 7.450106035e+00 7.450106035e+00 2.08 6.239872071e+00 6.239872071e+00 2.10 5.121874677e+00 5.121874677e+00 2.12 4.089693348e+00 4.089693348e+00 2.14 3.137767261e+00 3.137767261e+00 2.16 2.261172170e+00 2.261172170e+00 2.18 1.455433514e+00 1.455433514e+00 2.20 7.163878251e-01 7.163878251e-01 2.22 4.008570068e-02 4.008570068e-02 2.24 -5.772775110e-01 -5.772775110e-01 2.26 -1.139414898e+00 -1.139414898e+00 2.28 -1.649989746e+00 -1.649989746e+00 2.30 -2.112643534e+00 -2.112643534e+00 2.32 -2.531003729e+00 -2.531003729e+00 2.34 -2.908665329e+00 -2.908665329e+00 2.36 -3.249145169e+00 -3.249145169e+00 2.38 -3.555815781e+00 -3.555815781e+00 2.40 -3.831832895e+00 -3.831832895e+00 2.42 -4.080073619e+00 -4.080073619e+00 2.44 -4.303099271e+00 -4.303099271e+00 2.46 -4.503128238e+00 -4.503128238e+00 2.48 -4.681864655e+00 -4.681864655e+00 2.50 -4.841186934e+00 -4.841186934e+00 2.52 -4.982834432e+00 -4.982834432e+00 2.54 -5.108315822e+00 -5.108315822e+00 2.56 -5.218967835e+00 -5.218967835e+00 2.58 -5.315999275e+00 -5.315999275e+00 2.60 -5.400518099e+00 -5.400518099e+00 2.62 -5.473345727e+00 -5.473345727e+00 2.64 -5.534880204e+00 -5.534880204e+00 2.66 -5.585537081e+00 -5.585537081e+00 2.68 -5.625767947e+00 -5.625767947e+00 2.70 -5.656026123e+00 -5.656026123e+00 2.72 -5.676743423e+00 -5.676743423e+00 2.74 -5.688317200e+00 -5.688317200e+00 2.76 -5.691105877e+00 -5.691105877e+00 2.78 -5.685430751e+00 -5.685430751e+00 2.80 -5.671581969e+00 -5.671581969e+00 2.82 -5.649826925e+00 -5.649826925e+00 2.84 -5.620419683e+00 -5.620419683e+00 2.86 -5.583610206e+00 -5.583610206e+00 2.88 -5.539652360e+00 -5.539652360e+00 2.90 -5.488809798e+00 -5.488809798e+00 2.92 -5.431359164e+00 -5.431359164e+00 2.94 -5.367590382e+00 -5.367590382e+00 2.96 -5.297804284e+00 -5.297804284e+00 2.98 -5.222308155e+00 -5.222308155e+00 3.00 -5.141412570e+00 -5.141412570e+00 3.02 -5.055420583e+00 -5.055420583e+00 3.04 -4.964622848e+00 -4.964622848e+00 3.06 -4.869298625e+00 -4.869298625e+00 3.08 -4.769715633e+00 -4.769715633e+00 3.10 -4.666133591e+00 -4.666133591e+00 3.12 -4.558822189e+00 -4.558822189e+00 3.14 -4.448134500e+00 -4.448134500e+00 3.16 -4.334316319e+00 -4.334316319e+00 3.18 -4.217630038e+00 -4.217630038e+00 3.20 -4.098350074e+00 -4.098350074e+00 3.22 -3.976822243e+00 -3.976822243e+00 3.24 -3.853503915e+00 -3.853503915e+00 3.26 -3.728959468e+00 -3.728959468e+00 3.28 -3.603845699e+00 -3.603845699e+00 3.30 -3.478887129e+00 -3.478887129e+00 3.32 -3.354845620e+00 -3.354845620e+00 3.34 -3.232479522e+00 -3.232479522e+00 3.36 -3.112497248e+00 -3.112497248e+00 3.38 -2.995517733e+00 -2.995517733e+00 3.40 -2.882038209e+00 -2.882038209e+00 3.42 -2.772412426e+00 -2.772412426e+00 3.44 -2.666840941e+00 -2.666840941e+00 3.46 -2.565373286e+00 -2.565373286e+00 3.48 -2.467920335e+00 -2.467920335e+00 3.50 -2.374274209e+00 -2.374274209e+00 3.52 -2.284132778e+00 -2.284132778e+00 3.54 -2.197126016e+00 -2.197126016e+00 3.56 -2.112842049e+00 -2.112842049e+00 3.58 -2.030851475e+00 -2.030851475e+00 3.60 -1.950729169e+00 -1.950729169e+00 3.62 -1.872073366e+00 -1.872073366e+00 3.64 -1.794522089e+00 -1.794522089e+00 3.66 -1.717767151e+00 -1.717767151e+00 3.68 -1.641565856e+00 -1.641565856e+00 3.70 -1.565750415e+00 -1.565750415e+00 3.72 -1.490234806e+00 -1.490234806e+00 3.74 -1.415018654e+00 -1.415018654e+00 3.76 -1.340187543e+00 -1.340187543e+00 3.78 -1.265909213e+00 -1.265909213e+00 3.80 -1.192425279e+00 -1.192425279e+00 3.82 -1.120038447e+00 -1.120038447e+00 3.84 -1.049095727e+00 -1.049095727e+00 3.86 -9.799686336e-01 -9.799686336e-01 3.88 -9.130318382e-01 -9.130318382e-01 3.90 -8.486420166e-01 -8.486420166e-01 3.92 -7.871186699e-01 -7.871186699e-01 3.94 -7.287284644e-01 -7.287284644e-01 3.96 -6.736741738e-01 -6.736741738e-01 3.98 -6.220887399e-01 -6.220887399e-01 4.00 -5.740343536e-01 -5.740343536e-01 4.02 -5.295059562e-01 -5.295059562e-01 4.04 -4.884382100e-01 -4.884382100e-01 4.06 -4.507148180e-01 -4.507148180e-01 4.08 -4.161790792e-01 -4.161790792e-01 4.10 -3.846446983e-01 -3.846446983e-01 4.12 -3.559060868e-01 -3.559060868e-01 4.14 -3.297475963e-01 -3.297475963e-01 4.16 -3.059514051e-01 -3.059514051e-01 4.18 -2.843039003e-01 -2.843039003e-01 4.20 -2.646005773e-01 -2.646005773e-01 4.22 -2.466495492e-01 -2.466495492e-01 4.24 -2.302738157e-01 -2.302738157e-01 4.26 -2.153124583e-01 -2.153124583e-01 4.28 -2.016209369e-01 -2.016209369e-01 4.30 -1.890706573e-01 -1.890706573e-01 4.32 -1.775479758e-01 -1.775479758e-01 4.34 -1.669528029e-01 -1.669528029e-01 4.36 -1.571969666e-01 -1.571969666e-01 4.38 -1.482024810e-01 -1.482024810e-01 4.40 -1.398998631e-01 -1.398998631e-01 4.42 -1.322266026e-01 -1.322266026e-01 4.44 -1.251258097e-01 -1.251258097e-01 4.46 -1.185450441e-01 -1.185450441e-01 4.48 -1.124361556e-01 -1.124361556e-01 4.50 -1.067542941e-01 -1.067542941e-01 4.52 -1.014575429e-01 -1.014575429e-01 4.54 -9.650674913e-02 -9.650674913e-02 4.56 -9.186508185e-02 -9.186508185e-02 4.58 -8.749887904e-02 -8.749887904e-02 4.60 -8.337719060e-02 -8.337719060e-02 4.62 -7.947146541e-02 -7.947146541e-02 4.64 -7.575555199e-02 -7.575555199e-02 4.66 -7.220566267e-02 -7.220566267e-02 4.68 -6.880031623e-02 -6.880031623e-02 4.70 -6.552027278e-02 -6.552027278e-02 4.72 -6.234847357e-02 -6.234847357e-02 4.74 -5.926999471e-02 -5.926999471e-02 4.76 -5.627202075e-02 -5.627202075e-02 4.78 -5.334384013e-02 -5.334384013e-02 4.80 -5.047685839e-02 -5.047685839e-02 4.82 -4.766462496e-02 -4.766462496e-02 4.84 -4.490285649e-02 -4.490285649e-02 4.86 -4.218945204e-02 -4.218945204e-02 4.88 -3.952447232e-02 -3.952447232e-02 4.90 -3.691006929e-02 -3.691006929e-02 4.92 -3.435034784e-02 -3.435034784e-02 4.94 -3.185114935e-02 -3.185114935e-02 4.96 -2.941974850e-02 -2.941974850e-02 4.98 -2.706446329e-02 -2.706446329e-02 5.00 -2.479419976e-02 -2.479419976e-02 5.02 -2.261795345e-02 -2.261795345e-02 5.04 -2.054430070e-02 -2.054430070e-02 5.06 -1.858091720e-02 -1.858091720e-02 5.08 -1.673404774e-02 -1.673404774e-02 5.10 -1.500820861e-02 -1.500820861e-02 5.12 -1.340642231e-02 -1.340642231e-02 5.14 -1.192974990e-02 -1.192974990e-02 5.16 -1.057731289e-02 -1.057731289e-02 5.18 -9.346439161e-03 -9.346439161e-03 5.20 -8.232889061e-03 -8.232889061e-03 5.22 -7.231133616e-03 -7.231133616e-03 5.24 -6.334657301e-03 -6.334657301e-03 5.26 -5.536260822e-03 -5.536260822e-03 5.28 -4.828344674e-03 -4.828344674e-03 5.30 -4.203160064e-03 -4.203160064e-03 5.32 -3.653019548e-03 -3.653019548e-03 5.34 -3.170464615e-03 -3.170464615e-03 5.36 -2.748391278e-03 -2.748391278e-03 5.38 -2.380137275e-03 -2.380137275e-03 5.40 -2.059536060e-03 -2.059536060e-03 5.42 -1.780943346e-03 -1.780943346e-03 5.44 -1.539242005e-03 -1.539242005e-03 5.46 -1.329830668e-03 -1.329830668e-03 5.48 -1.148600709e-03 -1.148600709e-03 5.50 -9.919055399e-04 -9.919055399e-04 5.52 -8.565253506e-04 -8.565253506e-04 5.54 -7.396297377e-04 -7.396297377e-04 5.56 -6.387400230e-04 -6.387400230e-04 5.58 -5.516925533e-04 -5.516925533e-04 5.60 -4.766038468e-04 -4.766038468e-04 5.62 -4.118381238e-04 -4.118381238e-04 5.64 -3.559775103e-04 -3.559775103e-04 5.66 -3.077950209e-04 -3.077950209e-04 5.68 -2.662302996e-04 -2.662302996e-04 5.70 -2.303680097e-04 -2.303680097e-04 5.72 -1.994187107e-04 -1.994187107e-04 5.74 -1.727020269e-04 -1.727020269e-04 5.76 -1.496319021e-04 -1.496319021e-04 5.78 -1.297037292e-04 -1.297037292e-04 5.80 -1.124831540e-04 -1.124831540e-04 5.82 -9.759635918e-05 -9.759635918e-05 5.84 -8.472165312e-05 -8.472165312e-05 5.86 -7.358220044e-05 -7.358220044e-05 5.88 -6.393974956e-05 -6.393974956e-05 5.90 -5.558922690e-05 -5.558922690e-05 5.92 -4.835408276e-05 -4.835408276e-05 5.94 -4.208228746e-05 -4.208228746e-05 5.96 -3.664288912e-05 -3.664288912e-05 5.98 -3.192305573e-05 -3.192305573e-05 6.00 -2.782553405e-05 -2.782553405e-05