# 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 = TaTi2Zr # 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 3.399326347e+02 3.399326347e+02 1.30 3.155912910e+02 3.155912910e+02 1.32 2.930342378e+02 2.930342378e+02 1.34 2.721196658e+02 2.721196658e+02 1.36 2.527178913e+02 2.527178913e+02 1.38 2.347108515e+02 2.347108515e+02 1.40 2.179912014e+02 2.179912014e+02 1.42 2.024609097e+02 2.024609097e+02 1.44 1.880298673e+02 1.880298673e+02 1.46 1.746149240e+02 1.746149240e+02 1.48 1.621391277e+02 1.621391277e+02 1.50 1.505309607e+02 1.505309607e+02 1.52 1.397238029e+02 1.397238029e+02 1.54 1.296559091e+02 1.296559091e+02 1.56 1.202708025e+02 1.202708025e+02 1.58 1.115176558e+02 1.115176558e+02 1.60 1.033511500e+02 1.033511500e+02 1.62 9.573079963e+01 9.573079963e+01 1.64 8.862004906e+01 8.862004906e+01 1.66 8.198538839e+01 8.198538839e+01 1.68 7.579564087e+01 7.579564087e+01 1.70 7.002157511e+01 7.002157511e+01 1.72 6.463578953e+01 6.463578953e+01 1.74 5.961271022e+01 5.961271022e+01 1.76 5.492849374e+01 5.492849374e+01 1.78 5.056083583e+01 5.056083583e+01 1.80 4.648876265e+01 4.648876265e+01 1.82 4.269251974e+01 4.269251974e+01 1.84 3.915347438e+01 3.915347438e+01 1.86 3.585410185e+01 3.585410185e+01 1.88 3.277797056e+01 3.277797056e+01 1.90 2.990973832e+01 2.990973832e+01 1.92 2.723508999e+01 2.723508999e+01 1.94 2.474065585e+01 2.474065585e+01 1.96 2.241413118e+01 2.241413118e+01 1.98 2.024714624e+01 2.024714624e+01 2.00 1.822981699e+01 1.822981699e+01 2.02 1.635191979e+01 1.635191979e+01 2.04 1.460374513e+01 1.460374513e+01 2.06 1.297632268e+01 1.297632268e+01 2.08 1.146142322e+01 1.146142322e+01 2.10 1.005153229e+01 1.005153229e+01 2.12 8.739815739e+00 8.739815739e+00 2.14 7.520054524e+00 7.520054524e+00 2.16 6.386570680e+00 6.386570680e+00 2.18 5.334133721e+00 5.334133721e+00 2.20 4.357868678e+00 4.357868678e+00 2.22 3.453157878e+00 3.453157878e+00 2.24 2.615571510e+00 2.615571510e+00 2.26 1.840834178e+00 1.840834178e+00 2.28 1.124820542e+00 1.124820542e+00 2.30 4.635848558e-01 4.635848558e-01 2.32 -1.466342730e-01 -1.466342730e-01 2.34 -7.093814832e-01 -7.093814832e-01 2.36 -1.227990506e+00 -1.227990506e+00 2.38 -1.705578104e+00 -1.705578104e+00 2.40 -2.145046256e+00 -2.145046256e+00 2.42 -2.549094244e+00 -2.549094244e+00 2.44 -2.920229126e+00 -2.920229126e+00 2.46 -3.260785440e+00 -3.260785440e+00 2.48 -3.572938015e+00 -3.572938015e+00 2.50 -3.858709936e+00 -3.858709936e+00 2.52 -4.119974582e+00 -4.119974582e+00 2.54 -4.358454114e+00 -4.358454114e+00 2.56 -4.575718518e+00 -4.575718518e+00 2.58 -4.773189580e+00 -4.773189580e+00 2.60 -4.952152331e+00 -4.952152331e+00 2.62 -5.113771427e+00 -5.113771427e+00 2.64 -5.259119519e+00 -5.259119519e+00 2.66 -5.389185039e+00 -5.389185039e+00 2.68 -5.504896233e+00 -5.504896233e+00 2.70 -5.607128890e+00 -5.607128890e+00 2.72 -5.696648655e+00 -5.696648655e+00 2.74 -5.774233687e+00 -5.774233687e+00 2.76 -5.840693136e+00 -5.840693136e+00 2.78 -5.896798941e+00 -5.896798941e+00 2.80 -5.943285053e+00 -5.943285053e+00 2.82 -5.980729022e+00 -5.980729022e+00 2.84 -6.009668958e+00 -6.009668958e+00 2.86 -6.030613284e+00 -6.030613284e+00 2.88 -6.044046730e+00 -6.044046730e+00 2.90 -6.050385118e+00 -6.050385118e+00 2.92 -6.049912791e+00 -6.049912791e+00 2.94 -6.042913304e+00 -6.042913304e+00 2.96 -6.029602051e+00 -6.029602051e+00 2.98 -6.010149541e+00 -6.010149541e+00 3.00 -5.984851187e+00 -5.984851187e+00 3.02 -5.953939789e+00 -5.953939789e+00 3.04 -5.917635855e+00 -5.917635855e+00 3.06 -5.876203766e+00 -5.876203766e+00 3.08 -5.829918457e+00 -5.829918457e+00 3.10 -5.779059943e+00 -5.779059943e+00 3.12 -5.723897012e+00 -5.723897012e+00 3.14 -5.664689090e+00 -5.664689090e+00 3.16 -5.601676592e+00 -5.601676592e+00 3.18 -5.535063619e+00 -5.535063619e+00 3.20 -5.464939407e+00 -5.464939407e+00 3.22 -5.391399090e+00 -5.391399090e+00 3.24 -5.314582623e+00 -5.314582623e+00 3.26 -5.234676766e+00 -5.234676766e+00 3.28 -5.151914726e+00 -5.151914726e+00 3.30 -5.066572302e+00 -5.066572302e+00 3.32 -4.978959755e+00 -4.978959755e+00 3.34 -4.889409530e+00 -4.889409530e+00 3.36 -4.798261111e+00 -4.798261111e+00 3.38 -4.705845135e+00 -4.705845135e+00 3.40 -4.612468332e+00 -4.612468332e+00 3.42 -4.518406729e+00 -4.518406729e+00 3.44 -4.423893859e+00 -4.423893859e+00 3.46 -4.329123729e+00 -4.329123729e+00 3.48 -4.234252283e+00 -4.234252283e+00 3.50 -4.139402503e+00 -4.139402503e+00 3.52 -4.044670623e+00 -4.044670623e+00 3.54 -3.950132200e+00 -3.950132200e+00 3.56 -3.855847188e+00 -3.855847188e+00 3.58 -3.761863705e+00 -3.761863705e+00 3.60 -3.668220741e+00 -3.668220741e+00 3.62 -3.574950479e+00 -3.574950479e+00 3.64 -3.482081033e+00 -3.482081033e+00 3.66 -3.389640165e+00 -3.389640165e+00 3.68 -3.297660157e+00 -3.297660157e+00 3.70 -3.206183508e+00 -3.206183508e+00 3.72 -3.115268803e+00 -3.115268803e+00 3.74 -3.024995952e+00 -3.024995952e+00 3.76 -2.935470022e+00 -2.935470022e+00 3.78 -2.846823051e+00 -2.846823051e+00 3.80 -2.759213412e+00 -2.759213412e+00 3.82 -2.672822544e+00 -2.672822544e+00 3.84 -2.587849113e+00 -2.587849113e+00 3.86 -2.504500938e+00 -2.504500938e+00 3.88 -2.422985324e+00 -2.422985324e+00 3.90 -2.343498721e+00 -2.343498721e+00 3.92 -2.266214987e+00 -2.266214987e+00 3.94 -2.191284509e+00 -2.191284509e+00 3.96 -2.118816259e+00 -2.118816259e+00 3.98 -2.048883107e+00 -2.048883107e+00 4.00 -1.981519449e+00 -1.981519449e+00 4.02 -1.916723665e+00 -1.916723665e+00 4.04 -1.854462492e+00 -1.854462492e+00 4.06 -1.794676532e+00 -1.794676532e+00 4.08 -1.737286164e+00 -1.737286164e+00 4.10 -1.682192713e+00 -1.682192713e+00 4.12 -1.629302686e+00 -1.629302686e+00 4.14 -1.578502060e+00 -1.578502060e+00 4.16 -1.529680971e+00 -1.529680971e+00 4.18 -1.482730790e+00 -1.482730790e+00 4.20 -1.437546084e+00 -1.437546084e+00 4.22 -1.394025977e+00 -1.394025977e+00 4.24 -1.352074999e+00 -1.352074999e+00 4.26 -1.311603570e+00 -1.311603570e+00 4.28 -1.272528197e+00 -1.272528197e+00 4.30 -1.234771472e+00 -1.234771472e+00 4.32 -1.198261930e+00 -1.198261930e+00 4.34 -1.162933816e+00 -1.162933816e+00 4.36 -1.128726792e+00 -1.128726792e+00 4.38 -1.095585598e+00 -1.095585598e+00 4.40 -1.063459690e+00 -1.063459690e+00 4.42 -1.032302856e+00 -1.032302856e+00 4.44 -1.002072818e+00 -1.002072818e+00 4.46 -9.727308310e-01 -9.727308310e-01 4.48 -9.442412748e-01 -9.442412748e-01 4.50 -9.165712607e-01 -9.165712607e-01 4.52 -8.896902494e-01 -8.896902494e-01 4.54 -8.635696936e-01 -8.635696936e-01 4.56 -8.381827111e-01 -8.381827111e-01 4.58 -8.135037940e-01 -8.135037940e-01 4.60 -7.895085575e-01 -7.895085575e-01 4.62 -7.661735315e-01 -7.661735315e-01 4.64 -7.434759960e-01 -7.434759960e-01 4.66 -7.213938581e-01 -7.213938581e-01 4.68 -6.999055740e-01 -6.999055740e-01 4.70 -6.789901099e-01 -6.789901099e-01 4.72 -6.586269460e-01 -6.586269460e-01 4.74 -6.387961186e-01 -6.387961186e-01 4.76 -6.194783025e-01 -6.194783025e-01 4.78 -6.006549315e-01 -6.006549315e-01 4.80 -5.823052171e-01 -5.823052171e-01 4.82 -5.644194170e-01 -5.644194170e-01 4.84 -5.469785404e-01 -5.469785404e-01 4.86 -5.299689157e-01 -5.299689157e-01 4.88 -5.133786328e-01 -5.133786328e-01 4.90 -4.971977355e-01 -4.971977355e-01 4.92 -4.814183569e-01 -4.814183569e-01 4.94 -4.660347625e-01 -4.660347625e-01 4.96 -4.510432735e-01 -4.510432735e-01 4.98 -4.364420428e-01 -4.364420428e-01 5.00 -4.222306765e-01 -4.222306765e-01 5.02 -4.084097100e-01 -4.084097100e-01 5.04 -3.949799714e-01 -3.949799714e-01 5.06 -3.819418862e-01 -3.819418862e-01 5.08 -3.692947918e-01 -3.692947918e-01 5.10 -3.570363343e-01 -3.570363343e-01 5.12 -3.451620108e-01 -3.451620108e-01 5.14 -3.336649009e-01 -3.336649009e-01 5.16 -3.225356067e-01 -3.225356067e-01 5.18 -3.117623922e-01 -3.117623922e-01 5.20 -3.013314909e-01 -3.013314909e-01 5.22 -2.912275388e-01 -2.912275388e-01 5.24 -2.814340806e-01 -2.814340806e-01 5.26 -2.719341047e-01 -2.719341047e-01 5.28 -2.627105650e-01 -2.627105650e-01 5.30 -2.537468615e-01 -2.537468615e-01 5.32 -2.450272563e-01 -2.450272563e-01 5.34 -2.365372138e-01 -2.365372138e-01 5.36 -2.282636546e-01 -2.282636546e-01 5.38 -2.201951182e-01 -2.201951182e-01 5.40 -2.123218326e-01 -2.123218326e-01 5.42 -2.046356900e-01 -2.046356900e-01 5.44 -1.971301343e-01 -1.971301343e-01 5.46 -1.897999705e-01 -1.897999705e-01 5.48 -1.826411145e-01 -1.826411145e-01 5.50 -1.756503076e-01 -1.756503076e-01 5.52 -1.688248276e-01 -1.688248276e-01 5.54 -1.621622296e-01 -1.621622296e-01 5.56 -1.556601468e-01 -1.556601468e-01 5.58 -1.493161786e-01 -1.493161786e-01 5.60 -1.431278749e-01 -1.431278749e-01 5.62 -1.370928207e-01 -1.370928207e-01 5.64 -1.312088015e-01 -1.312088015e-01 5.66 -1.254740248e-01 -1.254740248e-01 5.68 -1.198873596e-01 -1.198873596e-01 5.70 -1.144485530e-01 -1.144485530e-01 5.72 -1.091583861e-01 -1.091583861e-01 5.74 -1.040187315e-01 -1.040187315e-01 5.76 -9.903249915e-02 -9.903249915e-02 5.78 -9.420345806e-02 -9.420345806e-02 5.80 -8.953594141e-02 -8.953594141e-02 5.82 -8.503446195e-02 -8.503446195e-02 5.84 -8.070327325e-02 -8.070327325e-02 5.86 -7.654591286e-02 -7.654591286e-02 5.88 -7.256478142e-02 -7.256478142e-02 5.90 -6.876079589e-02 -6.876079589e-02 5.92 -6.513309447e-02 -6.513309447e-02 5.94 -6.167882388e-02 -6.167882388e-02 5.96 -5.839348483e-02 -5.839348483e-02 5.98 -5.527105948e-02 -5.527105948e-02 6.00 -5.230398780e-02 -5.230398780e-02