# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Huang-X-Liu-L-Duan-X-et-al--Hf-Nb-Ta-Ti-Zr # implementation = 2021--Huang-X--Hf-Nb-Ta-Ti-Zr--LAMMPS--ipr1 # composition = Hf2NbZr # 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 6.651833717e+02 6.651833717e+02 1.00 6.286695247e+02 6.286695247e+02 1.02 5.940498725e+02 5.940498725e+02 1.04 5.612297180e+02 5.612297180e+02 1.06 5.301189486e+02 5.301189486e+02 1.08 5.006318213e+02 5.006318213e+02 1.10 4.726867566e+02 4.726867566e+02 1.12 4.462061421e+02 4.462061421e+02 1.14 4.211161458e+02 4.211161458e+02 1.16 3.973465364e+02 3.973465364e+02 1.18 3.748305136e+02 3.748305136e+02 1.20 3.535045455e+02 3.535045455e+02 1.22 3.333082128e+02 3.333082128e+02 1.24 3.141840619e+02 3.141840619e+02 1.26 2.960774627e+02 2.960774627e+02 1.28 2.789364749e+02 2.789364749e+02 1.30 2.627117192e+02 2.627117192e+02 1.32 2.473562551e+02 2.473562551e+02 1.34 2.328254642e+02 2.328254642e+02 1.36 2.190769388e+02 2.190769388e+02 1.38 2.060703760e+02 2.060703760e+02 1.40 1.937674764e+02 1.937674764e+02 1.42 1.821318479e+02 1.821318479e+02 1.44 1.711289136e+02 1.711289136e+02 1.46 1.607258243e+02 1.607258243e+02 1.48 1.508913747e+02 1.508913747e+02 1.50 1.415959243e+02 1.415959243e+02 1.52 1.328113214e+02 1.328113214e+02 1.54 1.245108304e+02 1.245108304e+02 1.56 1.166690635e+02 1.166690635e+02 1.58 1.092619148e+02 1.092619148e+02 1.60 1.022664976e+02 1.022664976e+02 1.62 9.566108530e+01 9.566108530e+01 1.64 8.942505411e+01 8.942505411e+01 1.66 8.353882935e+01 8.353882935e+01 1.68 7.798383382e+01 7.798383382e+01 1.70 7.274243878e+01 7.274243878e+01 1.72 6.779791718e+01 6.779791718e+01 1.74 6.313439925e+01 6.313439925e+01 1.76 5.873683010e+01 5.873683010e+01 1.78 5.459092934e+01 5.459092934e+01 1.80 5.068315276e+01 5.068315276e+01 1.82 4.700065569e+01 4.700065569e+01 1.84 4.353125820e+01 4.353125820e+01 1.86 4.026341201e+01 4.026341201e+01 1.88 3.718616890e+01 3.718616890e+01 1.90 3.428915071e+01 3.428915071e+01 1.92 3.156252077e+01 3.156252077e+01 1.94 2.899695670e+01 2.899695670e+01 1.96 2.658362455e+01 2.658362455e+01 1.98 2.431415422e+01 2.431415422e+01 2.00 2.218061595e+01 2.218061595e+01 2.02 2.017549816e+01 2.017549816e+01 2.04 1.829168616e+01 1.829168616e+01 2.06 1.652244204e+01 1.652244204e+01 2.08 1.486138553e+01 1.486138553e+01 2.10 1.330247568e+01 1.330247568e+01 2.12 1.183999363e+01 1.183999363e+01 2.14 1.046852605e+01 1.046852605e+01 2.16 9.182949491e+00 9.182949491e+00 2.18 7.978415521e+00 7.978415521e+00 2.20 6.850336521e+00 6.850336521e+00 2.22 5.794372238e+00 5.794372238e+00 2.24 4.806417010e+00 4.806417010e+00 2.26 3.882587592e+00 3.882587592e+00 2.28 3.019211610e+00 3.019211610e+00 2.30 2.212816597e+00 2.212816597e+00 2.32 1.460119549e+00 1.460119549e+00 2.34 7.580170370e-01 7.580170370e-01 2.36 1.035757999e-01 1.035757999e-01 2.38 -5.059762031e-01 -5.059762031e-01 2.40 -1.073258259e+00 -1.073258259e+00 2.42 -1.600744968e+00 -1.600744968e+00 2.44 -2.090773890e+00 -2.090773890e+00 2.46 -2.545552798e+00 -2.545552798e+00 2.48 -2.967166580e+00 -2.967166580e+00 2.50 -3.357583776e+00 -3.357583776e+00 2.52 -3.718662781e+00 -3.718662781e+00 2.54 -4.052157748e+00 -4.052157748e+00 2.56 -4.359724164e+00 -4.359724164e+00 2.58 -4.642924326e+00 -4.642924326e+00 2.60 -4.903245423e+00 -4.903245423e+00 2.62 -5.142111361e+00 -5.142111361e+00 2.64 -5.360864314e+00 -5.360864314e+00 2.66 -5.560767025e+00 -5.560767025e+00 2.68 -5.743007280e+00 -5.743007280e+00 2.70 -5.908702169e+00 -5.908702169e+00 2.72 -6.058902099e+00 -6.058902099e+00 2.74 -6.194594595e+00 -6.194594595e+00 2.76 -6.316707898e+00 -6.316707898e+00 2.78 -6.426114351e+00 -6.426114351e+00 2.80 -6.523633623e+00 -6.523633623e+00 2.82 -6.610035753e+00 -6.610035753e+00 2.84 -6.686044022e+00 -6.686044022e+00 2.86 -6.752337673e+00 -6.752337673e+00 2.88 -6.809554470e+00 -6.809554470e+00 2.90 -6.858293125e+00 -6.858293125e+00 2.92 -6.899115584e+00 -6.899115584e+00 2.94 -6.932549190e+00 -6.932549190e+00 2.96 -6.959088722e+00 -6.959088722e+00 2.98 -6.979199536e+00 -6.979199536e+00 3.00 -6.993323317e+00 -6.993323317e+00 3.02 -7.001992588e+00 -7.001992588e+00 3.04 -7.007089557e+00 -7.007089557e+00 3.06 -7.009615860e+00 -7.009615860e+00 3.08 -7.003800173e+00 -7.003800173e+00 3.10 -6.993730213e+00 -6.993730213e+00 3.12 -6.979761140e+00 -6.979761140e+00 3.14 -6.962152033e+00 -6.962152033e+00 3.16 -6.941146260e+00 -6.941146260e+00 3.18 -6.916972432e+00 -6.916972432e+00 3.20 -6.889845303e+00 -6.889845303e+00 3.22 -6.859966613e+00 -6.859966613e+00 3.24 -6.827525886e+00 -6.827525886e+00 3.26 -6.792701177e+00 -6.792701177e+00 3.28 -6.755659775e+00 -6.755659775e+00 3.30 -6.716558862e+00 -6.716558862e+00 3.32 -6.675546142e+00 -6.675546142e+00 3.34 -6.632760415e+00 -6.632760415e+00 3.36 -6.588332136e+00 -6.588332136e+00 3.38 -6.542383922e+00 -6.542383922e+00 3.40 -6.495031045e+00 -6.495031045e+00 3.42 -6.446381879e+00 -6.446381879e+00 3.44 -6.396538330e+00 -6.396538330e+00 3.46 -6.345596241e+00 -6.345596241e+00 3.48 -6.293645760e+00 -6.293645760e+00 3.50 -6.240771699e+00 -6.240771699e+00 3.52 -6.187053863e+00 -6.187053863e+00 3.54 -6.132567360e+00 -6.132567360e+00 3.56 -6.077382894e+00 -6.077382894e+00 3.58 -6.021567034e+00 -6.021567034e+00 3.60 -5.965182473e+00 -5.965182473e+00 3.62 -5.908288267e+00 -5.908288267e+00 3.64 -5.850940059e+00 -5.850940059e+00 3.66 -5.793190286e+00 -5.793190286e+00 3.68 -5.735088384e+00 -5.735088384e+00 3.70 -5.676680962e+00 -5.676680962e+00 3.72 -5.618011984e+00 -5.618011984e+00 3.74 -5.559122924e+00 -5.559122924e+00 3.76 -5.500052918e+00 -5.500052918e+00 3.78 -5.440838909e+00 -5.440838909e+00 3.80 -5.381515774e+00 -5.381515774e+00 3.82 -5.322116451e+00 -5.322116451e+00 3.84 -5.262672055e+00 -5.262672055e+00 3.86 -5.203211983e+00 -5.203211983e+00 3.88 -5.143764018e+00 -5.143764018e+00 3.90 -5.084354420e+00 -5.084354420e+00 3.92 -5.025008020e+00 -5.025008020e+00 3.94 -4.965748295e+00 -4.965748295e+00 3.96 -4.906597452e+00 -4.906597452e+00 3.98 -4.847576495e+00 -4.847576495e+00 4.00 -4.788705294e+00 -4.788705294e+00 4.02 -4.730002648e+00 -4.730002648e+00 4.04 -4.671486346e+00 -4.671486346e+00 4.06 -4.613173216e+00 -4.613173216e+00 4.08 -4.555079183e+00 -4.555079183e+00 4.10 -4.497219310e+00 -4.497219310e+00 4.12 -4.439607849e+00 -4.439607849e+00 4.14 -4.382258280e+00 -4.382258280e+00 4.16 -4.325183349e+00 -4.325183349e+00 4.18 -4.268395107e+00 -4.268395107e+00 4.20 -4.211904943e+00 -4.211904943e+00 4.22 -4.155723616e+00 -4.155723616e+00 4.24 -4.099861284e+00 -4.099861284e+00 4.26 -4.042753751e+00 -4.042753751e+00 4.28 -3.951945361e+00 -3.951945361e+00 4.30 -3.730049934e+00 -3.730049934e+00 4.32 -3.310426288e+00 -3.310426288e+00 4.34 -3.141381739e+00 -3.141381739e+00 4.36 -3.095872284e+00 -3.095872284e+00 4.38 -3.050713789e+00 -3.050713789e+00 4.40 -3.005907673e+00 -3.005907673e+00 4.42 -2.961455080e+00 -2.961455080e+00 4.44 -2.917356889e+00 -2.917356889e+00 4.46 -2.873613729e+00 -2.873613729e+00 4.48 -2.830225995e+00 -2.830225995e+00 4.50 -2.787193856e+00 -2.787193856e+00 4.52 -2.744517272e+00 -2.744517272e+00 4.54 -2.702196001e+00 -2.702196001e+00 4.56 -2.660229616e+00 -2.660229616e+00 4.58 -2.618617510e+00 -2.618617510e+00 4.60 -2.577358907e+00 -2.577358907e+00 4.62 -2.536452875e+00 -2.536452875e+00 4.64 -2.495898333e+00 -2.495898333e+00 4.66 -2.455694062e+00 -2.455694062e+00 4.68 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