# 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 = AgAl2Pd # 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 1.620350288e+02 1.620350288e+02 1.30 1.504806617e+02 1.504806617e+02 1.32 1.397522484e+02 1.397522484e+02 1.34 1.297859127e+02 1.297859127e+02 1.36 1.205222579e+02 1.205222579e+02 1.38 1.119053350e+02 1.119053350e+02 1.40 1.038829201e+02 1.038829201e+02 1.42 9.640744327e+01 9.640744327e+01 1.44 8.943669025e+01 8.943669025e+01 1.46 8.293380564e+01 8.293380564e+01 1.48 7.686651548e+01 7.686651548e+01 1.50 7.120578312e+01 7.120578312e+01 1.52 6.592445281e+01 6.592445281e+01 1.54 6.099642729e+01 6.099642729e+01 1.56 5.639647689e+01 5.639647689e+01 1.58 5.210043342e+01 5.210043342e+01 1.60 4.808674329e+01 4.808674329e+01 1.62 4.434851882e+01 4.434851882e+01 1.64 4.086991720e+01 4.086991720e+01 1.66 3.763413121e+01 3.763413121e+01 1.68 3.462613802e+01 3.462613802e+01 1.70 3.182990136e+01 3.182990136e+01 1.72 2.923032949e+01 2.923032949e+01 1.74 2.681308920e+01 2.681308920e+01 1.76 2.456460310e+01 2.456460310e+01 1.78 2.247215500e+01 2.247215500e+01 1.80 2.052402589e+01 2.052402589e+01 1.82 1.870959002e+01 1.870959002e+01 1.84 1.701931929e+01 1.701931929e+01 1.86 1.544469359e+01 1.544469359e+01 1.88 1.397805850e+01 1.397805850e+01 1.90 1.261247250e+01 1.261247250e+01 1.92 1.134156219e+01 1.134156219e+01 1.94 1.015939407e+01 1.015939407e+01 1.96 9.060374733e+00 9.060374733e+00 1.98 8.039189511e+00 8.039189511e+00 2.00 7.090780006e+00 7.090780006e+00 2.02 6.210350561e+00 6.210350561e+00 2.04 5.393384757e+00 5.393384757e+00 2.06 4.635649970e+00 4.635649970e+00 2.08 3.933178742e+00 3.933178742e+00 2.10 3.282234522e+00 3.282234522e+00 2.12 2.679279482e+00 2.679279482e+00 2.14 2.120957865e+00 2.120957865e+00 2.16 1.604098370e+00 1.604098370e+00 2.18 1.125731396e+00 1.125731396e+00 2.20 6.831128451e-01 6.831128451e-01 2.22 2.737442954e-01 2.737442954e-01 2.24 -1.046189142e-01 -1.046189142e-01 2.26 -4.539750464e-01 -4.539750464e-01 2.28 -7.760963207e-01 -7.760963207e-01 2.30 -1.072556754e+00 -1.072556754e+00 2.32 -1.344762817e+00 -1.344762817e+00 2.34 -1.593983923e+00 -1.593983923e+00 2.36 -1.821381916e+00 -1.821381916e+00 2.38 -2.028038991e+00 -2.028038991e+00 2.40 -2.214983898e+00 -2.214983898e+00 2.42 -2.383216327e+00 -2.383216327e+00 2.44 -2.533729155e+00 -2.533729155e+00 2.46 -2.667527565e+00 -2.667527565e+00 2.48 -2.785642949e+00 -2.785642949e+00 2.50 -2.889139739e+00 -2.889139739e+00 2.52 -2.979115447e+00 -2.979115447e+00 2.54 -3.056696952e+00 -3.056696952e+00 2.56 -3.123036272e+00 -3.123036272e+00 2.58 -3.179304919e+00 -3.179304919e+00 2.60 -3.226729296e+00 -3.226729296e+00 2.62 -3.266785499e+00 -3.266785499e+00 2.64 -3.300448342e+00 -3.300448342e+00 2.66 -3.328506731e+00 -3.328506731e+00 2.68 -3.352482347e+00 -3.352482347e+00 2.70 -3.373322517e+00 -3.373322517e+00 2.72 -3.390873383e+00 -3.390873383e+00 2.74 -3.404958552e+00 -3.404958552e+00 2.76 -3.415391717e+00 -3.415391717e+00 2.78 -3.422007877e+00 -3.422007877e+00 2.80 -3.424689335e+00 -3.424689335e+00 2.82 -3.423350258e+00 -3.423350258e+00 2.84 -3.418002209e+00 -3.418002209e+00 2.86 -3.408652764e+00 -3.408652764e+00 2.88 -3.395308437e+00 -3.395308437e+00 2.90 -3.378029140e+00 -3.378029140e+00 2.92 -3.356921247e+00 -3.356921247e+00 2.94 -3.332133422e+00 -3.332133422e+00 2.96 -3.303853845e+00 -3.303853845e+00 2.98 -3.272309439e+00 -3.272309439e+00 3.00 -3.237766848e+00 -3.237766848e+00 3.02 -3.200533490e+00 -3.200533490e+00 3.04 -3.160957292e+00 -3.160957292e+00 3.06 -3.119420948e+00 -3.119420948e+00 3.08 -3.076323362e+00 -3.076323362e+00 3.10 -3.032058441e+00 -3.032058441e+00 3.12 -2.986992097e+00 -2.986992097e+00 3.14 -2.941441991e+00 -2.941441991e+00 3.16 -2.895664036e+00 -2.895664036e+00 3.18 -2.849847887e+00 -2.849847887e+00 3.20 -2.804120640e+00 -2.804120640e+00 3.22 -2.758556436e+00 -2.758556436e+00 3.24 -2.713188943e+00 -2.713188943e+00 3.26 -2.668024085e+00 -2.668024085e+00 3.28 -2.623051297e+00 -2.623051297e+00 3.30 -2.578252473e+00 -2.578252473e+00 3.32 -2.533608539e+00 -2.533608539e+00 3.34 -2.489103890e+00 -2.489103890e+00 3.36 -2.444729172e+00 -2.444729172e+00 3.38 -2.400482787e+00 -2.400482787e+00 3.40 -2.356371478e+00 -2.356371478e+00 3.42 -2.312410253e+00 -2.312410253e+00 3.44 -2.268621741e+00 -2.268621741e+00 3.46 -2.225035192e+00 -2.225035192e+00 3.48 -2.181685142e+00 -2.181685142e+00 3.50 -2.138609869e+00 -2.138609869e+00 3.52 -2.095849735e+00 -2.095849735e+00 3.54 -2.053445495e+00 -2.053445495e+00 3.56 -2.011436678e+00 -2.011436678e+00 3.58 -1.969860115e+00 -1.969860115e+00 3.60 -1.928748653e+00 -1.928748653e+00 3.62 -1.888130107e+00 -1.888130107e+00 3.64 -1.848026469e+00 -1.848026469e+00 3.66 -1.808453370e+00 -1.808453370e+00 3.68 -1.769419803e+00 -1.769419803e+00 3.70 -1.730928103e+00 -1.730928103e+00 3.72 -1.692974166e+00 -1.692974166e+00 3.74 -1.655547895e+00 -1.655547895e+00 3.76 -1.618633852e+00 -1.618633852e+00 3.78 -1.582212075e+00 -1.582212075e+00 3.80 -1.546259031e+00 -1.546259031e+00 3.82 -1.510748637e+00 -1.510748637e+00 3.84 -1.475653299e+00 -1.475653299e+00 3.86 -1.440944914e+00 -1.440944914e+00 3.88 -1.406595789e+00 -1.406595789e+00 3.90 -1.372579423e+00 -1.372579423e+00 3.92 -1.338871157e+00 -1.338871157e+00 3.94 -1.305448700e+00 -1.305448700e+00 3.96 -1.272292466e+00 -1.272292466e+00 3.98 -1.239385881e+00 -1.239385881e+00 4.00 -1.206715582e+00 -1.206715582e+00 4.02 -1.174271590e+00 -1.174271590e+00 4.04 -1.142047474e+00 -1.142047474e+00 4.06 -1.110040520e+00 -1.110040520e+00 4.08 -1.078251928e+00 -1.078251928e+00 4.10 -1.046687025e+00 -1.046687025e+00 4.12 -1.015355624e+00 -1.015355624e+00 4.14 -9.842722604e-01 -9.842722604e-01 4.16 -9.534567153e-01 -9.534567153e-01 4.18 -9.229345049e-01 -9.229345049e-01 4.20 -8.927374199e-01 -8.927374199e-01 4.22 -8.629039782e-01 -8.629039782e-01 4.24 -8.334796221e-01 -8.334796221e-01 4.26 -8.045164518e-01 -8.045164518e-01 4.28 -7.760722888e-01 -7.760722888e-01 4.30 -7.482089321e-01 -7.482089321e-01 4.32 -7.209895891e-01 -7.209895891e-01 4.34 -6.944756237e-01 -6.944756237e-01 4.36 -6.687229172e-01 -6.687229172e-01 4.38 -6.437782465e-01 -6.437782465e-01 4.40 -6.196761164e-01 -6.196761164e-01 4.42 -5.964364246e-01 -5.964364246e-01 4.44 -5.740632092e-01 -5.740632092e-01 4.46 -5.525445606e-01 -5.525445606e-01 4.48 -5.318536155e-01 -5.318536155e-01 4.50 -5.119504250e-01 -5.119504250e-01 4.52 -4.927844170e-01 -4.927844170e-01 4.54 -4.742971639e-01 -4.742971639e-01 4.56 -4.564251960e-01 -4.564251960e-01 4.58 -4.391026656e-01 -4.391026656e-01 4.60 -4.222637280e-01 -4.222637280e-01 4.62 -4.058445753e-01 -4.058445753e-01 4.64 -3.897850989e-01 -3.897850989e-01 4.66 -3.740301970e-01 -3.740301970e-01 4.68 -3.585307571e-01 -3.585307571e-01 4.70 -3.432443585e-01 -3.432443585e-01 4.72 -3.281357407e-01 -3.281357407e-01 4.74 -3.131770894e-01 -3.131770894e-01 4.76 -2.983481908e-01 -2.983481908e-01 4.78 -2.836365043e-01 -2.836365043e-01 4.80 -2.690371845e-01 -2.690371845e-01 4.82 -2.545531529e-01 -2.545531529e-01 4.84 -2.401950401e-01 -2.401950401e-01 4.86 -2.259812258e-01 -2.259812258e-01 4.88 -2.119377230e-01 -2.119377230e-01 4.90 -1.980979027e-01 -1.980979027e-01 4.92 -1.845019471e-01 -1.845019471e-01 4.94 -1.711959381e-01 -1.711959381e-01 4.96 -1.582305359e-01 -1.582305359e-01 4.98 -1.456592236e-01 -1.456592236e-01 5.00 -1.335361893e-01 -1.335361893e-01 5.02 -1.219139783e-01 -1.219139783e-01 5.04 -1.108410773e-01 -1.108410773e-01 5.06 -1.003596642e-01 -1.003596642e-01 5.08 -9.050370409e-02 -9.050370409e-02 5.10 -8.129754608e-02 -8.129754608e-02 5.12 -7.275512646e-02 -7.275512646e-02 5.14 -6.487950328e-02 -6.487950328e-02 5.16 -5.766381803e-02 -5.766381803e-02 5.18 -5.109236907e-02 -5.109236907e-02 5.20 -4.514142135e-02 -4.514142135e-02 5.22 -3.978076212e-02 -3.978076212e-02 5.24 -3.497532457e-02 -3.497532457e-02 5.26 -3.068677908e-02 -3.068677908e-02 5.28 -2.687498768e-02 -2.687498768e-02 5.30 -2.349927075e-02 -2.349927075e-02 5.32 -2.051944330e-02 -2.051944330e-02 5.34 -1.789663404e-02 -1.789663404e-02 5.36 -1.559388817e-02 -1.559388817e-02 5.38 -1.357628005e-02 -1.357628005e-02 5.40 -1.181182849e-02 -1.181182849e-02 5.42 -1.027142591e-02 -1.027142591e-02 5.44 -8.928558698e-03 -8.928558698e-03 5.46 -7.759288118e-03 -7.759288118e-03 5.48 -6.742158546e-03 -6.742158546e-03 5.50 -5.858057935e-03 -5.858057935e-03 5.52 -5.090049563e-03 -5.090049563e-03 5.54 -4.423189470e-03 -4.423189470e-03 5.56 -3.844340009e-03 -3.844340009e-03 5.58 -3.341986833e-03 -3.341986833e-03 5.60 -2.906064162e-03 -2.906064162e-03 5.62 -2.527791340e-03 -2.527791340e-03 5.64 -2.199522348e-03 -2.199522348e-03 5.66 -1.914608900e-03 -1.914608900e-03 5.68 -1.667277137e-03 -1.667277137e-03 5.70 -1.452517420e-03 -1.452517420e-03 5.72 -1.265986469e-03 -1.265986469e-03 5.74 -1.103920924e-03 -1.103920924e-03 5.76 -9.630613162e-04 -9.630613162e-04 5.78 -8.405854551e-04 -8.405854551e-04 5.80 -7.340502169e-04 -7.340502169e-04 5.82 -6.413408183e-04 -6.413408183e-04 5.84 -5.606266931e-04 -5.606266931e-04 5.86 -4.903231804e-04 -4.903231804e-04 5.88 -4.290583038e-04 -4.290583038e-04 5.90 -3.756439966e-04 -3.756439966e-04 5.92 -3.290512005e-04 -3.290512005e-04 5.94 -2.883883313e-04 -2.883883313e-04 5.96 -2.528826655e-04 -2.528826655e-04 5.98 -2.218642594e-04 -2.218642594e-04 6.00 -1.947520581e-04 -1.947520581e-04