# 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 = AgMoPt2 # 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 3.695064499e+02 3.695064499e+02 1.30 3.443918624e+02 3.443918624e+02 1.32 3.209363909e+02 3.209363909e+02 1.34 2.990217727e+02 2.990217727e+02 1.36 2.785498587e+02 2.785498587e+02 1.38 2.594348828e+02 2.594348828e+02 1.40 2.415965794e+02 2.415965794e+02 1.42 2.249559848e+02 2.249559848e+02 1.44 2.094323125e+02 2.094323125e+02 1.46 1.949425756e+02 1.949425756e+02 1.48 1.814054465e+02 1.814054465e+02 1.50 1.687455658e+02 1.687455658e+02 1.52 1.568943271e+02 1.568943271e+02 1.54 1.457880407e+02 1.457880407e+02 1.56 1.353664728e+02 1.353664728e+02 1.58 1.255727618e+02 1.255727618e+02 1.60 1.163538667e+02 1.163538667e+02 1.62 1.076609279e+02 1.076609279e+02 1.64 9.944975550e+01 9.944975550e+01 1.66 9.168172406e+01 9.168172406e+01 1.68 8.432479479e+01 8.432479479e+01 1.70 7.735401008e+01 7.735401008e+01 1.72 7.075088233e+01 7.075088233e+01 1.74 6.450153017e+01 6.450153017e+01 1.76 5.859487571e+01 5.859487571e+01 1.78 5.302226225e+01 5.302226225e+01 1.80 4.786135546e+01 4.786135546e+01 1.82 4.313779064e+01 4.313779064e+01 1.84 3.881996458e+01 3.881996458e+01 1.86 3.487801278e+01 3.487801278e+01 1.88 3.128364469e+01 3.128364469e+01 1.90 2.800952706e+01 2.800952706e+01 1.92 2.502865315e+01 2.502865315e+01 1.94 2.231421536e+01 2.231421536e+01 1.96 1.984017582e+01 1.984017582e+01 1.98 1.758221159e+01 1.758221159e+01 2.00 1.551848833e+01 1.551848833e+01 2.02 1.362993643e+01 1.362993643e+01 2.04 1.190006753e+01 1.190006753e+01 2.06 1.031456141e+01 1.031456141e+01 2.08 8.860828076e+00 8.860828076e+00 2.10 7.527640976e+00 7.527640976e+00 2.12 6.304861794e+00 6.304861794e+00 2.14 5.183255257e+00 5.183255257e+00 2.16 4.154388571e+00 4.154388571e+00 2.18 3.210597311e+00 3.210597311e+00 2.20 2.344982848e+00 2.344982848e+00 2.22 1.551404010e+00 1.551404010e+00 2.24 8.244408773e-01 8.244408773e-01 2.26 1.593287250e-01 1.593287250e-01 2.28 -4.481275537e-01 -4.481275537e-01 2.30 -1.001646233e+00 -1.001646233e+00 2.32 -1.504560218e+00 -1.504560218e+00 2.34 -1.959903086e+00 -1.959903086e+00 2.36 -2.370488484e+00 -2.370488484e+00 2.38 -2.738982312e+00 -2.738982312e+00 2.40 -3.067966616e+00 -3.067966616e+00 2.42 -3.359992767e+00 -3.359992767e+00 2.44 -3.617620577e+00 -3.617620577e+00 2.46 -3.843440568e+00 -3.843440568e+00 2.48 -4.040078482e+00 -4.040078482e+00 2.50 -4.210182111e+00 -4.210182111e+00 2.52 -4.356389235e+00 -4.356389235e+00 2.54 -4.481274474e+00 -4.481274474e+00 2.56 -4.587769332e+00 -4.587769332e+00 2.58 -4.680067510e+00 -4.680067510e+00 2.60 -4.759785408e+00 -4.759785408e+00 2.62 -4.828038731e+00 -4.828038731e+00 2.64 -4.885697659e+00 -4.885697659e+00 2.66 -4.933414067e+00 -4.933414067e+00 2.68 -4.971670969e+00 -4.971670969e+00 2.70 -5.000836167e+00 -5.000836167e+00 2.72 -5.021206991e+00 -5.021206991e+00 2.74 -5.032983284e+00 -5.032983284e+00 2.76 -5.036282329e+00 -5.036282329e+00 2.78 -5.031245337e+00 -5.031245337e+00 2.80 -5.018043177e+00 -5.018043177e+00 2.82 -4.996875029e+00 -4.996875029e+00 2.84 -4.967970784e+00 -4.967970784e+00 2.86 -4.931598418e+00 -4.931598418e+00 2.88 -4.888076326e+00 -4.888076326e+00 2.90 -4.837788757e+00 -4.837788757e+00 2.92 -4.781200490e+00 -4.781200490e+00 2.94 -4.718865225e+00 -4.718865225e+00 2.96 -4.651421911e+00 -4.651421911e+00 2.98 -4.579575063e+00 -4.579575063e+00 3.00 -4.504067373e+00 -4.504067373e+00 3.02 -4.425736179e+00 -4.425736179e+00 3.04 -4.345149307e+00 -4.345149307e+00 3.06 -4.262730087e+00 -4.262730087e+00 3.08 -4.178819804e+00 -4.178819804e+00 3.10 -4.093667893e+00 -4.093667893e+00 3.12 -4.007436240e+00 -4.007436240e+00 3.14 -3.920213170e+00 -3.920213170e+00 3.16 -3.832034290e+00 -3.832034290e+00 3.18 -3.742906411e+00 -3.742906411e+00 3.20 -3.652817697e+00 -3.652817697e+00 3.22 -3.561752503e+00 -3.561752503e+00 3.24 -3.469705564e+00 -3.469705564e+00 3.26 -3.376693641e+00 -3.376693641e+00 3.28 -3.282764937e+00 -3.282764937e+00 3.30 -3.188006419e+00 -3.188006419e+00 3.32 -3.092548987e+00 -3.092548987e+00 3.34 -2.996571595e+00 -2.996571595e+00 3.36 -2.900424461e+00 -2.900424461e+00 3.38 -2.804700295e+00 -2.804700295e+00 3.40 -2.709994358e+00 -2.709994358e+00 3.42 -2.616866170e+00 -2.616866170e+00 3.44 -2.525825238e+00 -2.525825238e+00 3.46 -2.437316983e+00 -2.437316983e+00 3.48 -2.351710875e+00 -2.351710875e+00 3.50 -2.269292360e+00 -2.269292360e+00 3.52 -2.190259546e+00 -2.190259546e+00 3.54 -2.114724861e+00 -2.114724861e+00 3.56 -2.042721203e+00 -2.042721203e+00 3.58 -1.974211588e+00 -1.974211588e+00 3.60 -1.909101025e+00 -1.909101025e+00 3.62 -1.847249300e+00 -1.847249300e+00 3.64 -1.788483559e+00 -1.788483559e+00 3.66 -1.732609807e+00 -1.732609807e+00 3.68 -1.679422814e+00 -1.679422814e+00 3.70 -1.628714193e+00 -1.628714193e+00 3.72 -1.580278651e+00 -1.580278651e+00 3.74 -1.533918572e+00 -1.533918572e+00 3.76 -1.489447190e+00 -1.489447190e+00 3.78 -1.446690606e+00 -1.446690606e+00 3.80 -1.405488918e+00 -1.405488918e+00 3.82 -1.365696677e+00 -1.365696677e+00 3.84 -1.327182861e+00 -1.327182861e+00 3.86 -1.289830488e+00 -1.289830488e+00 3.88 -1.253535995e+00 -1.253535995e+00 3.90 -1.218208479e+00 -1.218208479e+00 3.92 -1.183768851e+00 -1.183768851e+00 3.94 -1.150149013e+00 -1.150149013e+00 3.96 -1.117291073e+00 -1.117291073e+00 3.98 -1.085146689e+00 -1.085146689e+00 4.00 -1.053676536e+00 -1.053676536e+00 4.02 -1.022849920e+00 -1.022849920e+00 4.04 -9.926444859e-01 -9.926444859e-01 4.06 -9.630459675e-01 -9.630459675e-01 4.08 -9.340478748e-01 -9.340478748e-01 4.10 -9.056509959e-01 -9.056509959e-01 4.12 -8.778626424e-01 -8.778626424e-01 4.14 -8.506954446e-01 -8.506954446e-01 4.16 -8.241658177e-01 -8.241658177e-01 4.18 -7.982920319e-01 -7.982920319e-01 4.20 -7.730920654e-01 -7.730920654e-01 4.22 -7.485814285e-01 -7.485814285e-01 4.24 -7.247711797e-01 -7.247711797e-01 4.26 -7.016663340e-01 -7.016663340e-01 4.28 -6.792647946e-01 -6.792647946e-01 4.30 -6.575568465e-01 -6.575568465e-01 4.32 -6.365251594e-01 -6.365251594e-01 4.34 -6.161451827e-01 -6.161451827e-01 4.36 -5.963857902e-01 -5.963857902e-01 4.38 -5.772100465e-01 -5.772100465e-01 4.40 -5.585760024e-01 -5.585760024e-01 4.42 -5.404374725e-01 -5.404374725e-01 4.44 -5.227447863e-01 -5.227447863e-01 4.46 -5.054455265e-01 -5.054455265e-01 4.48 -4.884852812e-01 -4.884852812e-01 4.50 -4.718084346e-01 -4.718084346e-01 4.52 -4.553590211e-01 -4.553590211e-01 4.54 -4.390816626e-01 -4.390816626e-01 4.56 -4.229226073e-01 -4.229226073e-01 4.58 -4.068308906e-01 -4.068308906e-01 4.60 -3.907596310e-01 -3.907596310e-01 4.62 -3.746674700e-01 -3.746674700e-01 4.64 -3.585201486e-01 -3.585201486e-01 4.66 -3.422921894e-01 -3.422921894e-01 4.68 -3.259686237e-01 -3.259686237e-01 4.70 -3.095466641e-01 -3.095466641e-01 4.72 -2.930371861e-01 -2.930371861e-01 4.74 -2.764658490e-01 -2.764658490e-01 4.76 -2.598736663e-01 -2.598736663e-01 4.78 -2.433168420e-01 -2.433168420e-01 4.80 -2.268657196e-01 -2.268657196e-01 4.82 -2.106027709e-01 -2.106027709e-01 4.84 -1.946196191e-01 -1.946196191e-01 4.86 -1.790132577e-01 -1.790132577e-01 4.88 -1.638816926e-01 -1.638816926e-01 4.90 -1.493193581e-01 -1.493193581e-01 4.92 -1.354126962e-01 -1.354126962e-01 4.94 -1.222362818e-01 -1.222362818e-01 4.96 -1.098498275e-01 -1.098498275e-01 4.98 -9.829624837e-02 -9.829624837e-02 5.00 -8.760088603e-02 -8.760088603e-02 5.02 -7.777183163e-02 -7.777183163e-02 5.04 -6.880118626e-02 -6.880118626e-02 5.06 -6.066702652e-02 -6.066702652e-02 5.08 -5.333608035e-02 -5.333608035e-02 5.10 -4.676652682e-02 -4.676652682e-02 5.12 -4.090893823e-02 -4.090893823e-02 5.14 -3.570992007e-02 -3.570992007e-02 5.16 -3.111431157e-02 -3.111431157e-02 5.18 -2.706691892e-02 -2.706691892e-02 5.20 -2.351387733e-02 -2.351387733e-02 5.22 -2.040368756e-02 -2.040368756e-02 5.24 -1.768792489e-02 -1.768792489e-02 5.26 -1.532155000e-02 -1.532155000e-02 5.28 -1.326297588e-02 -1.326297588e-02 5.30 -1.147521395e-02 -1.147521395e-02 5.32 -9.924886381e-03 -9.924886381e-03 5.34 -8.582043914e-03 -8.582043914e-03 5.36 -7.420016460e-03 -7.420016460e-03 5.38 -6.415201429e-03 -6.415201429e-03 5.40 -5.546818055e-03 -5.546818055e-03 5.42 -4.796647905e-03 -4.796647905e-03 5.44 -4.148775410e-03 -4.148775410e-03 5.46 -3.589337640e-03 -3.589337640e-03 5.48 -3.106288989e-03 -3.106288989e-03 5.50 -2.689184008e-03 -2.689184008e-03 5.52 -2.328979809e-03 -2.328979809e-03 5.54 -2.017858262e-03 -2.017858262e-03 5.56 -1.749067433e-03 -1.749067433e-03 5.58 -1.516781161e-03 -1.516781161e-03 5.60 -1.315975441e-03 -1.315975441e-03 5.62 -1.142320107e-03 -1.142320107e-03 5.64 -9.920843032e-04 -9.920843032e-04 5.66 -8.620542344e-04 -8.620542344e-04 5.68 -7.494618159e-04 -7.494618159e-04 5.70 -6.519228937e-04 -6.519228937e-04 5.72 -5.673838572e-04 -5.673838572e-04 5.74 -4.940755695e-04 -4.940755695e-04 5.76 -4.304736574e-04 -4.304736574e-04 5.78 -3.752643171e-04 -3.752643171e-04 5.80 -3.273148911e-04 -3.273148911e-04 5.82 -2.856485621e-04 -2.856485621e-04 5.84 -2.494225999e-04 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