# 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 = HfNb2Ti # 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 6.221804504e+02 6.221804504e+02 1.00 5.890730223e+02 5.890730223e+02 1.02 5.575978055e+02 5.575978055e+02 1.04 5.276783699e+02 5.276783699e+02 1.06 4.992417194e+02 4.992417194e+02 1.08 4.722181425e+02 4.722181425e+02 1.10 4.465410701e+02 4.465410701e+02 1.12 4.221469386e+02 4.221469386e+02 1.14 3.989750592e+02 3.989750592e+02 1.16 3.769674921e+02 3.769674921e+02 1.18 3.560689271e+02 3.560689271e+02 1.20 3.362265681e+02 3.362265681e+02 1.22 3.173900233e+02 3.173900233e+02 1.24 2.995111994e+02 2.995111994e+02 1.26 2.825442012e+02 2.825442012e+02 1.28 2.664452342e+02 2.664452342e+02 1.30 2.511725126e+02 2.511725126e+02 1.32 2.366861705e+02 2.366861705e+02 1.34 2.229481771e+02 2.229481771e+02 1.36 2.099222553e+02 2.099222553e+02 1.38 1.975738042e+02 1.975738042e+02 1.40 1.858698246e+02 1.858698246e+02 1.42 1.747788479e+02 1.747788479e+02 1.44 1.642708676e+02 1.642708676e+02 1.46 1.543172744e+02 1.543172744e+02 1.48 1.448907939e+02 1.448907939e+02 1.50 1.359654262e+02 1.359654262e+02 1.52 1.275163898e+02 1.275163898e+02 1.54 1.195200658e+02 1.195200658e+02 1.56 1.119539465e+02 1.119539465e+02 1.58 1.047965848e+02 1.047965848e+02 1.60 9.802754674e+01 9.802754674e+01 1.62 9.162736525e+01 9.162736525e+01 1.64 8.557749679e+01 8.557749679e+01 1.66 7.986027921e+01 7.986027921e+01 1.68 7.445889183e+01 7.445889183e+01 1.70 6.935731707e+01 6.935731707e+01 1.72 6.454030358e+01 6.454030358e+01 1.74 5.999333155e+01 5.999333155e+01 1.76 5.570257920e+01 5.570257920e+01 1.78 5.165489078e+01 5.165489078e+01 1.80 4.783774603e+01 4.783774603e+01 1.82 4.423923085e+01 4.423923085e+01 1.84 4.084800940e+01 4.084800940e+01 1.86 3.765329737e+01 3.765329737e+01 1.88 3.464483641e+01 3.464483641e+01 1.90 3.181286980e+01 3.181286980e+01 1.92 2.914811909e+01 2.914811909e+01 1.94 2.664176181e+01 2.664176181e+01 1.96 2.428541020e+01 2.428541020e+01 1.98 2.207109081e+01 2.207109081e+01 2.00 1.999122507e+01 1.999122507e+01 2.02 1.803861093e+01 1.803861093e+01 2.04 1.620640508e+01 1.620640508e+01 2.06 1.448810600e+01 1.448810600e+01 2.08 1.287753789e+01 1.287753789e+01 2.10 1.136883516e+01 1.136883516e+01 2.12 9.956427742e+00 9.956427742e+00 2.14 8.635027046e+00 8.635027046e+00 2.16 7.399612487e+00 7.399612487e+00 2.18 6.245418724e+00 6.245418724e+00 2.20 5.167923407e+00 5.167923407e+00 2.22 4.162835505e+00 4.162835505e+00 2.24 3.226084198e+00 3.226084198e+00 2.26 2.353808221e+00 2.353808221e+00 2.28 1.542345746e+00 1.542345746e+00 2.30 7.882247151e-01 7.882247151e-01 2.32 8.815359969e-02 8.815359969e-02 2.34 -5.609873818e-01 -5.609873818e-01 2.36 -1.162154657e+00 -1.162154657e+00 2.38 -1.718149313e+00 -1.718149313e+00 2.40 -2.231622755e+00 -2.231622755e+00 2.42 -2.705078604e+00 -2.705078604e+00 2.44 -3.140886474e+00 -3.140886474e+00 2.46 -3.541290594e+00 -3.541290594e+00 2.48 -3.908415977e+00 -3.908415977e+00 2.50 -4.244274288e+00 -4.244274288e+00 2.52 -4.550769442e+00 -4.550769442e+00 2.54 -4.829704704e+00 -4.829704704e+00 2.56 -5.082810931e+00 -5.082810931e+00 2.58 -5.311741410e+00 -5.311741410e+00 2.60 -5.518056074e+00 -5.518056074e+00 2.62 -5.703225904e+00 -5.703225904e+00 2.64 -5.868637625e+00 -5.868637625e+00 2.66 -6.015598171e+00 -6.015598171e+00 2.68 -6.145338913e+00 -6.145338913e+00 2.70 -6.259019697e+00 -6.259019697e+00 2.72 -6.357732660e+00 -6.357732660e+00 2.74 -6.442505865e+00 -6.442505865e+00 2.76 -6.514306491e+00 -6.514306491e+00 2.78 -6.574040304e+00 -6.574040304e+00 2.80 -6.622556204e+00 -6.622556204e+00 2.82 -6.660652625e+00 -6.660652625e+00 2.84 -6.689092249e+00 -6.689092249e+00 2.86 -6.708642968e+00 -6.708642968e+00 2.88 -6.720035952e+00 -6.720035952e+00 2.90 -6.723952556e+00 -6.723952556e+00 2.92 -6.721027353e+00 -6.721027353e+00 2.94 -6.711850991e+00 -6.711850991e+00 2.96 -6.696972885e+00 -6.696972885e+00 2.98 -6.676904980e+00 -6.676904980e+00 3.00 -6.652128086e+00 -6.652128086e+00 3.02 -6.623089601e+00 -6.623089601e+00 3.04 -6.590203464e+00 -6.590203464e+00 3.06 -6.553853420e+00 -6.553853420e+00 3.08 -6.514397725e+00 -6.514397725e+00 3.10 -6.472162847e+00 -6.472162847e+00 3.12 -6.427452002e+00 -6.427452002e+00 3.14 -6.380544969e+00 -6.380544969e+00 3.16 -6.331699591e+00 -6.331699591e+00 3.18 -6.281153239e+00 -6.281153239e+00 3.20 -6.229124180e+00 -6.229124180e+00 3.22 -6.175812870e+00 -6.175812870e+00 3.24 -6.121403165e+00 -6.121403165e+00 3.26 -6.066063464e+00 -6.066063464e+00 3.28 -6.009947777e+00 -6.009947777e+00 3.30 -5.953196737e+00 -5.953196737e+00 3.32 -5.895938539e+00 -5.895938539e+00 3.34 -5.838289830e+00 -5.838289830e+00 3.36 -5.780356543e+00 -5.780356543e+00 3.38 -5.722234672e+00 -5.722234672e+00 3.40 -5.664011008e+00 -5.664011008e+00 3.42 -5.605763823e+00 -5.605763823e+00 3.44 -5.547563510e+00 -5.547563510e+00 3.46 -5.489473185e+00 -5.489473185e+00 3.48 -5.431549248e+00 -5.431549248e+00 3.50 -5.373841911e+00 -5.373841911e+00 3.52 -5.316395686e+00 -5.316395686e+00 3.54 -5.259249843e+00 -5.259249843e+00 3.56 -5.202438841e+00 -5.202438841e+00 3.58 -5.145992727e+00 -5.145992727e+00 3.60 -5.089937505e+00 -5.089937505e+00 3.62 -5.034295485e+00 -5.034295485e+00 3.64 -4.979085608e+00 -4.979085608e+00 3.66 -4.924323743e+00 -4.924323743e+00 3.68 -4.870022968e+00 -4.870022968e+00 3.70 -4.816193828e+00 -4.816193828e+00 3.72 -4.762844578e+00 -4.762844578e+00 3.74 -4.709981405e+00 -4.709981405e+00 3.76 -4.657608635e+00 -4.657608635e+00 3.78 -4.605728924e+00 -4.605728924e+00 3.80 -4.554343438e+00 -4.554343438e+00 3.82 -4.503452011e+00 -4.503452011e+00 3.84 -4.453053301e+00 -4.453053301e+00 3.86 -4.403144927e+00 -4.403144927e+00 3.88 -4.353723596e+00 -4.353723596e+00 3.90 -4.304785224e+00 -4.304785224e+00 3.92 -4.256325039e+00 -4.256325039e+00 3.94 -4.208337685e+00 -4.208337685e+00 3.96 -4.160817309e+00 -4.160817309e+00 3.98 -4.113757645e+00 -4.113757645e+00 4.00 -4.067152089e+00 -4.067152089e+00 4.02 -4.020993768e+00 -4.020993768e+00 4.04 -3.975275601e+00 -3.975275601e+00 4.06 -3.929990356e+00 -3.929990356e+00 4.08 -3.885130702e+00 -3.885130702e+00 4.10 -3.840689252e+00 -3.840689252e+00 4.12 -3.796658607e+00 -3.796658607e+00 4.14 -3.753031390e+00 -3.753031390e+00 4.16 -3.709800280e+00 -3.709800280e+00 4.18 -3.666958041e+00 -3.666958041e+00 4.20 -3.624497548e+00 -3.624497548e+00 4.22 -3.582411807e+00 -3.582411807e+00 4.24 -3.540693975e+00 -3.540693975e+00 4.26 -3.498432365e+00 -3.498432365e+00 4.28 -3.437121105e+00 -3.437121105e+00 4.30 -3.300416964e+00 -3.300416964e+00 4.32 -3.037733988e+00 -3.037733988e+00 4.34 -2.924086847e+00 -2.924086847e+00 4.36 -2.892756582e+00 -2.892756582e+00 4.38 -2.861626961e+00 -2.861626961e+00 4.40 -2.830692843e+00 -2.830692843e+00 4.42 -2.799949422e+00 -2.799949422e+00 4.44 -2.769392218e+00 -2.769392218e+00 4.46 -2.739017069e+00 -2.739017069e+00 4.48 -2.708820124e+00 -2.708820124e+00 4.50 -2.678797831e+00 -2.678797831e+00 4.52 -2.648946931e+00 -2.648946931e+00 4.54 -2.619264448e+00 -2.619264448e+00 4.56 -2.589747674e+00 -2.589747674e+00 4.58 -2.560394166e+00 -2.560394166e+00 4.60 -2.531201732e+00 -2.531201732e+00 4.62 -2.502168420e+00 -2.502168420e+00 4.64 -2.473292509e+00 -2.473292509e+00 4.66 -2.444572501e+00 -2.444572501e+00 4.68 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