# 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 = MoNiPb2 # 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 3.435848256e+02 3.435848256e+02 1.30 3.204343214e+02 3.204343214e+02 1.32 2.989031242e+02 2.989031242e+02 1.34 2.788655009e+02 2.788655009e+02 1.36 2.602090317e+02 2.602090317e+02 1.38 2.428319059e+02 2.428319059e+02 1.40 2.266408100e+02 2.266408100e+02 1.42 2.115493797e+02 2.115493797e+02 1.44 1.974770231e+02 1.974770231e+02 1.46 1.843482538e+02 1.843482538e+02 1.48 1.720926640e+02 1.720926640e+02 1.50 1.606452580e+02 1.606452580e+02 1.52 1.499465709e+02 1.499465709e+02 1.54 1.399423519e+02 1.399423519e+02 1.56 1.305829088e+02 1.305829088e+02 1.58 1.218224938e+02 1.218224938e+02 1.60 1.136188150e+02 1.136188150e+02 1.62 1.059327298e+02 1.059327298e+02 1.64 9.872799047e+01 9.872799047e+01 1.66 9.197105685e+01 9.197105685e+01 1.68 8.563094383e+01 8.563094383e+01 1.70 7.967914768e+01 7.967914768e+01 1.72 7.409040151e+01 7.409040151e+01 1.74 6.884337706e+01 6.884337706e+01 1.76 6.392283205e+01 6.392283205e+01 1.78 5.932193410e+01 5.932193410e+01 1.80 5.502388310e+01 5.502388310e+01 1.82 5.101267282e+01 5.101267282e+01 1.84 4.727278646e+01 4.727278646e+01 1.86 4.378870132e+01 4.378870132e+01 1.88 4.054474541e+01 4.054474541e+01 1.90 3.752520995e+01 3.752520995e+01 1.92 3.471458763e+01 3.471458763e+01 1.94 3.209787369e+01 3.209787369e+01 1.96 2.966080465e+01 2.966080465e+01 1.98 2.739002774e+01 2.739002774e+01 2.00 2.527316909e+01 2.527316909e+01 2.02 2.329882193e+01 2.329882193e+01 2.04 2.145648364e+01 2.145648364e+01 2.06 1.973648064e+01 1.973648064e+01 2.08 1.812990790e+01 1.812990790e+01 2.10 1.662857754e+01 1.662857754e+01 2.12 1.522499120e+01 1.522499120e+01 2.14 1.391230378e+01 1.391230378e+01 2.16 1.268428587e+01 1.268428587e+01 2.18 1.153527679e+01 1.153527679e+01 2.20 1.046012349e+01 1.046012349e+01 2.22 9.454120921e+00 9.454120921e+00 2.24 8.512955606e+00 8.512955606e+00 2.26 7.632661002e+00 7.632661002e+00 2.28 6.809585669e+00 6.809585669e+00 2.30 6.040360361e+00 6.040360361e+00 2.32 5.321858363e+00 5.321858363e+00 2.34 4.651161871e+00 4.651161871e+00 2.36 4.025508076e+00 4.025508076e+00 2.38 3.442252099e+00 3.442252099e+00 2.40 2.898844102e+00 2.898844102e+00 2.42 2.392827265e+00 2.392827265e+00 2.44 1.921851333e+00 1.921851333e+00 2.46 1.483697605e+00 1.483697605e+00 2.48 1.076402092e+00 1.076402092e+00 2.50 6.980254618e-01 6.980254618e-01 2.52 3.467115860e-01 3.467115860e-01 2.54 2.077621800e-02 2.077621800e-02 2.56 -2.813138207e-01 -2.813138207e-01 2.58 -5.609632870e-01 -5.609632870e-01 2.60 -8.194704424e-01 -8.194704424e-01 2.62 -1.058045939e+00 -1.058045939e+00 2.64 -1.277833704e+00 -1.277833704e+00 2.66 -1.479837075e+00 -1.479837075e+00 2.68 -1.664939187e+00 -1.664939187e+00 2.70 -1.834020502e+00 -1.834020502e+00 2.72 -1.987964253e+00 -1.987964253e+00 2.74 -2.127650372e+00 -2.127650372e+00 2.76 -2.253945991e+00 -2.253945991e+00 2.78 -2.367691405e+00 -2.367691405e+00 2.80 -2.469598747e+00 -2.469598747e+00 2.82 -2.560234113e+00 -2.560234113e+00 2.84 -2.640141169e+00 -2.640141169e+00 2.86 -2.709847982e+00 -2.709847982e+00 2.88 -2.769869097e+00 -2.769869097e+00 2.90 -2.820709949e+00 -2.820709949e+00 2.92 -2.862872055e+00 -2.862872055e+00 2.94 -2.896857526e+00 -2.896857526e+00 2.96 -2.923171790e+00 -2.923171790e+00 2.98 -2.942323855e+00 -2.942323855e+00 3.00 -2.954823924e+00 -2.954823924e+00 3.02 -2.961178692e+00 -2.961178692e+00 3.04 -2.961884596e+00 -2.961884596e+00 3.06 -2.957423333e+00 -2.957423333e+00 3.08 -2.948252293e+00 -2.948252293e+00 3.10 -2.934802418e+00 -2.934802418e+00 3.12 -2.917473271e+00 -2.917473271e+00 3.14 -2.896637948e+00 -2.896637948e+00 3.16 -2.872632996e+00 -2.872632996e+00 3.18 -2.845765130e+00 -2.845765130e+00 3.20 -2.816308715e+00 -2.816308715e+00 3.22 -2.784504688e+00 -2.784504688e+00 3.24 -2.750605245e+00 -2.750605245e+00 3.26 -2.714822433e+00 -2.714822433e+00 3.28 -2.677180054e+00 -2.677180054e+00 3.30 -2.637689380e+00 -2.637689380e+00 3.32 -2.596361834e+00 -2.596361834e+00 3.34 -2.553217572e+00 -2.553217572e+00 3.36 -2.508293678e+00 -2.508293678e+00 3.38 -2.461620807e+00 -2.461620807e+00 3.40 -2.413228481e+00 -2.413228481e+00 3.42 -2.363195713e+00 -2.363195713e+00 3.44 -2.311652525e+00 -2.311652525e+00 3.46 -2.258777939e+00 -2.258777939e+00 3.48 -2.204792388e+00 -2.204792388e+00 3.50 -2.149947277e+00 -2.149947277e+00 3.52 -2.094512495e+00 -2.094512495e+00 3.54 -2.038763284e+00 -2.038763284e+00 3.56 -1.982967860e+00 -1.982967860e+00 3.58 -1.927376987e+00 -1.927376987e+00 3.60 -1.872216278e+00 -1.872216278e+00 3.62 -1.817681582e+00 -1.817681582e+00 3.64 -1.763937317e+00 -1.763937317e+00 3.66 -1.711117320e+00 -1.711117320e+00 3.68 -1.659327500e+00 -1.659327500e+00 3.70 -1.608649566e+00 -1.608649566e+00 3.72 -1.559145133e+00 -1.559145133e+00 3.74 -1.510859668e+00 -1.510859668e+00 3.76 -1.463825939e+00 -1.463825939e+00 3.78 -1.418066820e+00 -1.418066820e+00 3.80 -1.373597447e+00 -1.373597447e+00 3.82 -1.330426787e+00 -1.330426787e+00 3.84 -1.288558687e+00 -1.288558687e+00 3.86 -1.247992434e+00 -1.247992434e+00 3.88 -1.208722865e+00 -1.208722865e+00 3.90 -1.170740089e+00 -1.170740089e+00 3.92 -1.134028090e+00 -1.134028090e+00 3.94 -1.098567624e+00 -1.098567624e+00 3.96 -1.064330207e+00 -1.064330207e+00 3.98 -1.031281874e+00 -1.031281874e+00 4.00 -9.993824873e-01 -9.993824873e-01 4.02 -9.685865068e-01 -9.685865068e-01 4.04 -9.388441324e-01 -9.388441324e-01 4.06 -9.101026325e-01 -9.101026325e-01 4.08 -8.823077025e-01 -8.823077025e-01 4.10 -8.554023479e-01 -8.554023479e-01 4.12 -8.293378194e-01 -8.293378194e-01 4.14 -8.040588743e-01 -8.040588743e-01 4.16 -7.795152944e-01 -7.795152944e-01 4.18 -7.556594110e-01 -7.556594110e-01 4.20 -7.324464034e-01 -7.324464034e-01 4.22 -7.098345364e-01 -7.098345364e-01 4.24 -6.877853936e-01 -6.877853936e-01 4.26 -6.662641482e-01 -6.662641482e-01 4.28 -6.452398976e-01 -6.452398976e-01 4.30 -6.246860681e-01 -6.246860681e-01 4.32 -6.045808735e-01 -6.045808735e-01 4.34 -5.849077882e-01 -5.849077882e-01 4.36 -5.656559727e-01 -5.656559727e-01 4.38 -5.468205668e-01 -5.468205668e-01 4.40 -5.284027615e-01 -5.284027615e-01 4.42 -5.104095564e-01 -5.104095564e-01 4.44 -4.928531381e-01 -4.928531381e-01 4.46 -4.757498503e-01 -4.757498503e-01 4.48 -4.591187874e-01 -4.591187874e-01 4.50 -4.429801044e-01 -4.429801044e-01 4.52 -4.273531928e-01 -4.273531928e-01 4.54 -4.122549065e-01 -4.122549065e-01 4.56 -3.976980243e-01 -3.976980243e-01 4.58 -3.836901022e-01 -3.836901022e-01 4.60 -3.702328135e-01 -3.702328135e-01 4.62 -3.573217966e-01 -3.573217966e-01 4.64 -3.449469671e-01 -3.449469671e-01 4.66 -3.330931951e-01 -3.330931951e-01 4.68 -3.217412230e-01 -3.217412230e-01 4.70 -3.108686953e-01 -3.108686953e-01 4.72 -3.004511887e-01 -3.004511887e-01 4.74 -2.904631587e-01 -2.904631587e-01 4.76 -2.808787491e-01 -2.808787491e-01 4.78 -2.716724393e-01 -2.716724393e-01 4.80 -2.628179760e-01 -2.628179760e-01 4.82 -2.542951691e-01 -2.542951691e-01 4.84 -2.460799965e-01 -2.460799965e-01 4.86 -2.381517541e-01 -2.381517541e-01 4.88 -2.304912396e-01 -2.304912396e-01 4.90 -2.230807323e-01 -2.230807323e-01 4.92 -2.159039418e-01 -2.159039418e-01 4.94 -2.089459418e-01 -2.089459418e-01 4.96 -2.021931010e-01 -2.021931010e-01 4.98 -1.956330183e-01 -1.956330183e-01 5.00 -1.892544699e-01 -1.892544699e-01 5.02 -1.830473703e-01 -1.830473703e-01 5.04 -1.770027486e-01 -1.770027486e-01 5.06 -1.711127401e-01 -1.711127401e-01 5.08 -1.653705864e-01 -1.653705864e-01 5.10 -1.597706425e-01 -1.597706425e-01 5.12 -1.543083823e-01 -1.543083823e-01 5.14 -1.489803966e-01 -1.489803966e-01 5.16 -1.437843728e-01 -1.437843728e-01 5.18 -1.387190498e-01 -1.387190498e-01 5.20 -1.337841383e-01 -1.337841383e-01 5.22 -1.289802044e-01 -1.289802044e-01 5.24 -1.243085114e-01 -1.243085114e-01 5.26 -1.197707583e-01 -1.197707583e-01 5.28 -1.153684342e-01 -1.153684342e-01 5.30 -1.111037106e-01 -1.111037106e-01 5.32 -1.069786793e-01 -1.069786793e-01 5.34 -1.029949266e-01 -1.029949266e-01 5.36 -9.915332302e-02 -9.915332302e-02 5.38 -9.545385930e-02 -9.545385930e-02 5.40 -9.189553736e-02 -9.189553736e-02 5.42 -8.847632149e-02 -8.847632149e-02 5.44 -8.519314811e-02 -8.519314811e-02 5.46 -8.204198787e-02 -8.204198787e-02 5.48 -7.901794973e-02 -7.901794973e-02 5.50 -7.611541476e-02 -7.611541476e-02 5.52 -7.332818688e-02 -7.332818688e-02 5.54 -7.064964889e-02 -7.064964889e-02 5.56 -6.807291385e-02 -6.807291385e-02 5.58 -6.559096496e-02 -6.559096496e-02 5.60 -6.319677904e-02 -6.319677904e-02 5.62 -6.088343177e-02 -6.088343177e-02 5.64 -5.864418445e-02 -5.864418445e-02 5.66 -5.647255376e-02 -5.647255376e-02 5.68 -5.436236679e-02 -5.436236679e-02 5.70 -5.230780441e-02 -5.230780441e-02 5.72 -5.030343594e-02 -5.030343594e-02 5.74 -4.834424803e-02 -4.834424803e-02 5.76 -4.642567034e-02 -4.642567034e-02 5.78 -4.454359986e-02 -4.454359986e-02 5.80 -4.269442635e-02 -4.269442635e-02 5.82 -4.087505772e-02 -4.087505772e-02 5.84 -3.908294661e-02 -3.908294661e-02 5.86 -3.731611725e-02 -3.731611725e-02 5.88 -3.557319103e-02 -3.557319103e-02 5.90 -3.385340864e-02 -3.385340864e-02 5.92 -3.215664591e-02 -3.215664591e-02 5.94 -3.048342046e-02 -3.048342046e-02 5.96 -2.883488576e-02 -2.883488576e-02 5.98 -2.721280738e-02 -2.721280738e-02 6.00 -2.561952348e-02 -2.561952348e-02