# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgAu2Pt # 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 2022-05-24 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 1.001502492e+03 1.001502492e+03 1.00 9.187268778e+02 9.187268778e+02 1.02 8.435465222e+02 8.435465222e+02 1.04 7.751975526e+02 7.751975526e+02 1.06 7.129984576e+02 7.129984576e+02 1.08 6.563413997e+02 6.563413997e+02 1.10 6.046841607e+02 6.046841607e+02 1.12 5.575401966e+02 5.575401966e+02 1.14 5.144742271e+02 5.144742271e+02 1.16 4.750971019e+02 4.750971019e+02 1.18 4.390585170e+02 4.390585170e+02 1.20 4.060434594e+02 4.060434594e+02 1.22 3.757690588e+02 3.757690588e+02 1.24 3.479800532e+02 3.479800532e+02 1.26 3.224466969e+02 3.224466969e+02 1.28 2.989622520e+02 2.989622520e+02 1.30 2.773411644e+02 2.773411644e+02 1.32 2.574158674e+02 2.574158674e+02 1.34 2.390351072e+02 2.390351072e+02 1.36 2.220619547e+02 2.220619547e+02 1.38 2.063734696e+02 2.063734696e+02 1.40 1.918580293e+02 1.918580293e+02 1.42 1.784156986e+02 1.784156986e+02 1.44 1.659553905e+02 1.659553905e+02 1.46 1.543948775e+02 1.543948775e+02 1.48 1.436593726e+02 1.436593726e+02 1.50 1.336814452e+02 1.336814452e+02 1.52 1.243999783e+02 1.243999783e+02 1.54 1.157589059e+02 1.157589059e+02 1.56 1.077081142e+02 1.077081142e+02 1.58 1.002019994e+02 1.002019994e+02 1.60 9.319853258e+01 9.319853258e+01 1.62 8.665971955e+01 8.665971955e+01 1.64 8.055040557e+01 8.055040557e+01 1.66 7.483917229e+01 7.483917229e+01 1.68 6.949716973e+01 6.949716973e+01 1.70 6.449786793e+01 6.449786793e+01 1.72 5.981688689e+01 5.981688689e+01 1.74 5.543195852e+01 5.543195852e+01 1.76 5.132257519e+01 5.132257519e+01 1.78 4.747000493e+01 4.747000493e+01 1.80 4.385670277e+01 4.385670277e+01 1.82 4.046656707e+01 4.046656707e+01 1.84 3.728480959e+01 3.728480959e+01 1.86 3.429761018e+01 3.429761018e+01 1.88 3.149235084e+01 3.149235084e+01 1.90 2.884298672e+01 2.884298672e+01 1.92 2.637263318e+01 2.637263318e+01 1.94 2.405604151e+01 2.405604151e+01 1.96 2.188682851e+01 2.188682851e+01 1.98 1.985646813e+01 1.985646813e+01 2.00 1.795713559e+01 1.795713559e+01 2.02 1.618142834e+01 1.618142834e+01 2.04 1.452237640e+01 1.452237640e+01 2.06 1.297326275e+01 1.297326275e+01 2.08 1.152783146e+01 1.152783146e+01 2.10 1.018052506e+01 1.018052506e+01 2.12 8.925894011e+00 8.925894011e+00 2.14 7.758633830e+00 7.758633830e+00 2.16 6.673759994e+00 6.673759994e+00 2.18 5.666583854e+00 5.666583854e+00 2.20 4.732716770e+00 4.732716770e+00 2.22 3.867784814e+00 3.867784814e+00 2.24 3.067962080e+00 3.067962080e+00 2.26 2.329561464e+00 2.329561464e+00 2.28 1.649009227e+00 1.649009227e+00 2.30 1.022897188e+00 1.022897188e+00 2.32 4.481034532e-01 4.481034532e-01 2.34 -7.843547809e-02 -7.843547809e-02 2.36 -5.597181121e-01 -5.597181121e-01 2.38 -9.984339674e-01 -9.984339674e-01 2.40 -1.397321640e+00 -1.397321640e+00 2.42 -1.758956828e+00 -1.758956828e+00 2.44 -2.085676816e+00 -2.085676816e+00 2.46 -2.379528551e+00 -2.379528551e+00 2.48 -2.642840254e+00 -2.642840254e+00 2.50 -2.877670952e+00 -2.877670952e+00 2.52 -3.085964778e+00 -3.085964778e+00 2.54 -3.269564378e+00 -3.269564378e+00 2.56 -3.430214746e+00 -3.430214746e+00 2.58 -3.569563703e+00 -3.569563703e+00 2.60 -3.688938272e+00 -3.688938272e+00 2.62 -3.790049086e+00 -3.790049086e+00 2.64 -3.874288417e+00 -3.874288417e+00 2.66 -3.943019596e+00 -3.943019596e+00 2.68 -3.997452013e+00 -3.997452013e+00 2.70 -4.038687358e+00 -4.038687358e+00 2.72 -4.067736204e+00 -4.067736204e+00 2.74 -4.085612744e+00 -4.085612744e+00 2.76 -4.093378081e+00 -4.093378081e+00 2.78 -4.092199287e+00 -4.092199287e+00 2.80 -4.082934547e+00 -4.082934547e+00 2.82 -4.066073852e+00 -4.066073852e+00 2.84 -4.042338200e+00 -4.042338200e+00 2.86 -4.012399391e+00 -4.012399391e+00 2.88 -3.976882261e+00 -3.976882261e+00 2.90 -3.936420048e+00 -3.936420048e+00 2.92 -3.892077549e+00 -3.892077549e+00 2.94 -3.843731090e+00 -3.843731090e+00 2.96 -3.791860986e+00 -3.791860986e+00 2.98 -3.736528228e+00 -3.736528228e+00 3.00 -3.678098265e+00 -3.678098265e+00 3.02 -3.617365761e+00 -3.617365761e+00 3.04 -3.554664278e+00 -3.554664278e+00 3.06 -3.490304205e+00 -3.490304205e+00 3.08 -3.424574575e+00 -3.424574575e+00 3.10 -3.357670406e+00 -3.357670406e+00 3.12 -3.289427812e+00 -3.289427812e+00 3.14 -3.220467065e+00 -3.220467065e+00 3.16 -3.151046158e+00 -3.151046158e+00 3.18 -3.081318743e+00 -3.081318743e+00 3.20 -3.011515209e+00 -3.011515209e+00 3.22 -2.941782358e+00 -2.941782358e+00 3.24 -2.872248412e+00 -2.872248412e+00 3.26 -2.803357273e+00 -2.803357273e+00 3.28 -2.734991535e+00 -2.734991535e+00 3.30 -2.667138411e+00 -2.667138411e+00 3.32 -2.599887150e+00 -2.599887150e+00 3.34 -2.533317948e+00 -2.533317948e+00 3.36 -2.467502261e+00 -2.467502261e+00 3.38 -2.402503618e+00 -2.402503618e+00 3.40 -2.338405384e+00 -2.338405384e+00 3.42 -2.275602831e+00 -2.275602831e+00 3.44 -2.213744951e+00 -2.213744951e+00 3.46 -2.152869589e+00 -2.152869589e+00 3.48 -2.093009527e+00 -2.093009527e+00 3.50 -2.034192658e+00 -2.034192658e+00 3.52 -1.976440981e+00 -1.976440981e+00 3.54 -1.919774168e+00 -1.919774168e+00 3.56 -1.864212546e+00 -1.864212546e+00 3.58 -1.809762000e+00 -1.809762000e+00 3.60 -1.756420949e+00 -1.756420949e+00 3.62 -1.704192410e+00 -1.704192410e+00 3.64 -1.653052267e+00 -1.653052267e+00 3.66 -1.602959162e+00 -1.602959162e+00 3.68 -1.553923486e+00 -1.553923486e+00 3.70 -1.506002325e+00 -1.506002325e+00 3.72 -1.459220735e+00 -1.459220735e+00 3.74 -1.413543458e+00 -1.413543458e+00 3.76 -1.368921608e+00 -1.368921608e+00 3.78 -1.325327469e+00 -1.325327469e+00 3.80 -1.282772248e+00 -1.282772248e+00 3.82 -1.241271150e+00 -1.241271150e+00 3.84 -1.200830834e+00 -1.200830834e+00 3.86 -1.161434514e+00 -1.161434514e+00 3.88 -1.123056383e+00 -1.123056383e+00 3.90 -1.085682060e+00 -1.085682060e+00 3.92 -1.049296056e+00 -1.049296056e+00 3.94 -1.013903819e+00 -1.013903819e+00 3.96 -9.794443056e-01 -9.794443056e-01 3.98 -9.458219039e-01 -9.458219039e-01 4.00 -9.130790032e-01 -9.130790032e-01 4.02 -8.811488687e-01 -8.811488687e-01 4.04 -8.501304190e-01 -8.501304190e-01 4.06 -8.201383433e-01 -8.201383433e-01 4.08 -7.912537757e-01 -7.912537757e-01 4.10 -7.635785021e-01 -7.635785021e-01 4.12 -7.372059125e-01 -7.372059125e-01 4.14 -7.119513337e-01 -7.119513337e-01 4.16 -6.877601260e-01 -6.877601260e-01 4.18 -6.643945916e-01 -6.643945916e-01 4.20 -6.415429968e-01 -6.415429968e-01 4.22 -6.189823782e-01 -6.189823782e-01 4.24 -5.965605428e-01 -5.965605428e-01 4.26 -5.741811037e-01 -5.741811037e-01 4.28 -5.517911098e-01 -5.517911098e-01 4.30 -5.293708678e-01 -5.293708678e-01 4.32 -5.069256151e-01 -5.069256151e-01 4.34 -4.844327963e-01 -4.844327963e-01 4.36 -4.619377221e-01 -4.619377221e-01 4.38 -4.395609713e-01 -4.395609713e-01 4.40 -4.173472768e-01 -4.173472768e-01 4.42 -3.954354479e-01 -3.954354479e-01 4.44 -3.739782264e-01 -3.739782264e-01 4.46 -3.530919040e-01 -3.530919040e-01 4.48 -3.328627083e-01 -3.328627083e-01 4.50 -3.133521806e-01 -3.133521806e-01 4.52 -2.946016977e-01 -2.946016977e-01 4.54 -2.766362668e-01 -2.766362668e-01 4.56 -2.594675955e-01 -2.594675955e-01 4.58 -2.430879545e-01 -2.430879545e-01 4.60 -2.277481064e-01 -2.277481064e-01 4.62 -2.134113326e-01 -2.134113326e-01 4.64 -1.997982812e-01 -1.997982812e-01 4.66 -1.868954570e-01 -1.868954570e-01 4.68 -1.746781911e-01 -1.746781911e-01 4.70 -1.631202401e-01 -1.631202401e-01 4.72 -1.521944105e-01 -1.521944105e-01 4.74 -1.418730333e-01 -1.418730333e-01 4.76 -1.321283435e-01 -1.321283435e-01 4.78 -1.229327792e-01 -1.229327792e-01 4.80 -1.142466971e-01 -1.142466971e-01 4.82 -1.064267749e-01 -1.064267749e-01 4.84 -9.919762564e-02 -9.919762564e-02 4.86 -9.237899218e-02 -9.237899218e-02 4.88 -8.594923914e-02 -8.594923914e-02 4.90 -7.988757726e-02 -7.988757726e-02 4.92 -7.417408574e-02 -7.417408574e-02 4.94 -6.878972172e-02 -6.878972172e-02 4.96 -6.371631830e-02 -6.371631830e-02 4.98 -5.893657456e-02 -5.893657456e-02 5.00 -5.443403927e-02 -5.443403927e-02 5.02 -5.019309008e-02 -5.019309008e-02 5.04 -4.619890894e-02 -4.619890894e-02 5.06 -4.243745378e-02 -4.243745378e-02 5.08 -3.889542941e-02 -3.889542941e-02 5.10 -3.556025711e-02 -3.556025711e-02 5.12 -3.242004390e-02 -3.242004390e-02 5.14 -2.946355126e-02 -2.946355126e-02 5.16 -2.668016400e-02 -2.668016400e-02 5.18 -2.405985987e-02 -2.405985987e-02 5.20 -2.159317985e-02 -2.159317985e-02 5.22 -1.927119950e-02 -1.927119950e-02 5.24 -1.708550068e-02 -1.708550068e-02 5.26 -1.502813132e-02 -1.502813132e-02 5.28 -1.309247215e-02 -1.309247215e-02 5.30 -1.129027688e-02 -1.129027688e-02 5.32 -1.001414118e-02 -1.001414118e-02 5.34 -8.828301265e-03 -8.828301265e-03 5.36 -7.717079165e-03 -7.717079165e-03 5.38 -6.672892538e-03 -6.672892538e-03 5.40 -5.691774980e-03 -5.691774980e-03 5.42 -4.769989951e-03 -4.769989951e-03 5.44 -3.904017734e-03 -3.904017734e-03 5.46 -3.090543142e-03 -3.090543142e-03 5.48 -2.326443949e-03 -2.326443949e-03 5.50 -1.608779939e-03 -1.608779939e-03 5.52 -9.347824259e-04 -9.347824259e-04 5.54 -2.977809874e-04 -2.977809874e-04 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00