# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = HfNb2Ta # 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 2026-06-16 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 4.030289617e+02 4.030289617e+02 1.28 3.752006158e+02 3.752006158e+02 1.30 3.493572506e+02 3.493572506e+02 1.32 3.253417165e+02 3.253417165e+02 1.34 3.030104363e+02 3.030104363e+02 1.36 2.822321612e+02 2.822321612e+02 1.38 2.628861653e+02 2.628861653e+02 1.40 2.448620556e+02 2.448620556e+02 1.42 2.280591243e+02 2.280591243e+02 1.44 2.123843543e+02 2.123843543e+02 1.46 1.977521582e+02 1.977521582e+02 1.48 1.840847382e+02 1.840847382e+02 1.50 1.713112381e+02 1.713112381e+02 1.52 1.593659735e+02 1.593659735e+02 1.54 1.481886816e+02 1.481886816e+02 1.56 1.377256374e+02 1.377256374e+02 1.58 1.279291690e+02 1.279291690e+02 1.60 1.187559985e+02 1.187559985e+02 1.62 1.101667145e+02 1.101667145e+02 1.64 1.021250112e+02 1.021250112e+02 1.66 9.459711100e+01 9.459711100e+01 1.68 8.755134813e+01 8.755134813e+01 1.70 8.095793981e+01 8.095793981e+01 1.72 7.478867296e+01 7.478867296e+01 1.74 6.901941564e+01 6.901941564e+01 1.76 6.363700859e+01 6.363700859e+01 1.78 5.861930366e+01 5.861930366e+01 1.80 5.394071121e+01 5.394071121e+01 1.82 4.957616132e+01 4.957616132e+01 1.84 4.550332541e+01 4.550332541e+01 1.86 4.170250928e+01 4.170250928e+01 1.88 3.815658825e+01 3.815658825e+01 1.90 3.485056132e+01 3.485056132e+01 1.92 3.177072054e+01 3.177072054e+01 1.94 2.890397310e+01 2.890397310e+01 1.96 2.623733955e+01 2.623733955e+01 1.98 2.375786086e+01 2.375786086e+01 2.00 2.145261715e+01 2.145261715e+01 2.02 1.930890362e+01 1.930890362e+01 2.04 1.731447453e+01 1.731447453e+01 2.06 1.545785961e+01 1.545785961e+01 2.08 1.372857149e+01 1.372857149e+01 2.10 1.211722046e+01 1.211722046e+01 2.12 1.061551352e+01 1.061551352e+01 2.14 9.216061257e+00 9.216061257e+00 2.16 7.912371949e+00 7.912371949e+00 2.18 6.698576872e+00 6.698576872e+00 2.20 5.569314339e+00 5.569314339e+00 2.22 4.519623291e+00 4.519623291e+00 2.24 3.544880774e+00 3.544880774e+00 2.26 2.640700616e+00 2.640700616e+00 2.28 1.802833632e+00 1.802833632e+00 2.30 1.027100046e+00 1.027100046e+00 2.32 3.092758970e-01 3.092758970e-01 2.34 -3.548645797e-01 -3.548645797e-01 2.36 -9.694328567e-01 -9.694328567e-01 2.38 -1.538356513e+00 -1.538356513e+00 2.40 -2.065203234e+00 -2.065203234e+00 2.42 -2.553206931e+00 -2.553206931e+00 2.44 -3.005247170e+00 -3.005247170e+00 2.46 -3.423871404e+00 -3.423871404e+00 2.48 -3.811337389e+00 -3.811337389e+00 2.50 -4.169674543e+00 -4.169674543e+00 2.52 -4.500754193e+00 -4.500754193e+00 2.54 -4.806351968e+00 -4.806351968e+00 2.56 -5.088181709e+00 -5.088181709e+00 2.58 -5.347871785e+00 -5.347871785e+00 2.60 -5.587014200e+00 -5.587014200e+00 2.62 -5.806963785e+00 -5.806963785e+00 2.64 -6.008876749e+00 -6.008876749e+00 2.66 -6.193651718e+00 -6.193651718e+00 2.68 -6.361965165e+00 -6.361965165e+00 2.70 -6.514373940e+00 -6.514373940e+00 2.72 -6.651435546e+00 -6.651435546e+00 2.74 -6.773755014e+00 -6.773755014e+00 2.76 -6.882090661e+00 -6.882090661e+00 2.78 -6.977198876e+00 -6.977198876e+00 2.80 -7.059641398e+00 -7.059641398e+00 2.82 -7.128649528e+00 -7.128649528e+00 2.84 -7.184757633e+00 -7.184757633e+00 2.86 -7.229129891e+00 -7.229129891e+00 2.88 -7.262838898e+00 -7.262838898e+00 2.90 -7.286794632e+00 -7.286794632e+00 2.92 -7.301718540e+00 -7.301718540e+00 2.94 -7.308207002e+00 -7.308207002e+00 2.96 -7.306789646e+00 -7.306789646e+00 2.98 -7.298019547e+00 -7.298019547e+00 3.00 -7.282534784e+00 -7.282534784e+00 3.02 -7.260534113e+00 -7.260534113e+00 3.04 -7.232050076e+00 -7.232050076e+00 3.06 -7.196947710e+00 -7.196947710e+00 3.08 -7.155194827e+00 -7.155194827e+00 3.10 -7.106625026e+00 -7.106625026e+00 3.12 -7.051118851e+00 -7.051118851e+00 3.14 -6.988562798e+00 -6.988562798e+00 3.16 -6.918861774e+00 -6.918861774e+00 3.18 -6.841955807e+00 -6.841955807e+00 3.20 -6.757840921e+00 -6.757840921e+00 3.22 -6.666591247e+00 -6.666591247e+00 3.24 -6.568380748e+00 -6.568380748e+00 3.26 -6.463499072e+00 -6.463499072e+00 3.28 -6.352359554e+00 -6.352359554e+00 3.30 -6.235496101e+00 -6.235496101e+00 3.32 -6.113551285e+00 -6.113551285e+00 3.34 -5.987245887e+00 -5.987245887e+00 3.36 -5.857408690e+00 -5.857408690e+00 3.38 -5.724872984e+00 -5.724872984e+00 3.40 -5.590506462e+00 -5.590506462e+00 3.42 -5.455160933e+00 -5.455160933e+00 3.44 -5.319626247e+00 -5.319626247e+00 3.46 -5.184580283e+00 -5.184580283e+00 3.48 -5.050541742e+00 -5.050541742e+00 3.50 -4.917840162e+00 -4.917840162e+00 3.52 -4.786608375e+00 -4.786608375e+00 3.54 -4.656799708e+00 -4.656799708e+00 3.56 -4.528222825e+00 -4.528222825e+00 3.58 -4.400585951e+00 -4.400585951e+00 3.60 -4.273542398e+00 -4.273542398e+00 3.62 -4.146731935e+00 -4.146731935e+00 3.64 -4.019816524e+00 -4.019816524e+00 3.66 -3.892509406e+00 -3.892509406e+00 3.68 -3.764598732e+00 -3.764598732e+00 3.70 -3.635966174e+00 -3.635966174e+00 3.72 -3.506601783e+00 -3.506601783e+00 3.74 -3.376613069e+00 -3.376613069e+00 3.76 -3.246229059e+00 -3.246229059e+00 3.78 -3.115797976e+00 -3.115797976e+00 3.80 -2.985777776e+00 -2.985777776e+00 3.82 -2.856718797e+00 -2.856718797e+00 3.84 -2.729240224e+00 -2.729240224e+00 3.86 -2.603973359e+00 -2.603973359e+00 3.88 -2.481648532e+00 -2.481648532e+00 3.90 -2.362878530e+00 -2.362878530e+00 3.92 -2.248262658e+00 -2.248262658e+00 3.94 -2.138330487e+00 -2.138330487e+00 3.96 -2.033526827e+00 -2.033526827e+00 3.98 -1.934201752e+00 -1.934201752e+00 4.00 -1.840605456e+00 -1.840605456e+00 4.02 -1.752894598e+00 -1.752894598e+00 4.04 -1.671014092e+00 -1.671014092e+00 4.06 -1.595107140e+00 -1.595107140e+00 4.08 -1.524923038e+00 -1.524923038e+00 4.10 -1.460233277e+00 -1.460233277e+00 4.12 -1.400740059e+00 -1.400740059e+00 4.14 -1.346093791e+00 -1.346093791e+00 4.16 -1.295912008e+00 -1.295912008e+00 4.18 -1.249797636e+00 -1.249797636e+00 4.20 -1.207354808e+00 -1.207354808e+00 4.22 -1.168201297e+00 -1.168201297e+00 4.24 -1.131977552e+00 -1.131977552e+00 4.26 -1.098350975e+00 -1.098350975e+00 4.28 -1.067018365e+00 -1.067018365e+00 4.30 -1.037714661e+00 -1.037714661e+00 4.32 -1.010203989e+00 -1.010203989e+00 4.34 -9.842781992e-01 -9.842781992e-01 4.36 -9.597551562e-01 -9.597551562e-01 4.38 -9.364765590e-01 -9.364765590e-01 4.40 -9.143054726e-01 -9.143054726e-01 4.42 -8.931236959e-01 -8.931236959e-01 4.44 -8.728293470e-01 -8.728293470e-01 4.46 -8.533346768e-01 -8.533346768e-01 4.48 -8.345640102e-01 -8.345640102e-01 4.50 -8.164519924e-01 -8.164519924e-01 4.52 -7.989421245e-01 -7.989421245e-01 4.54 -7.819854679e-01 -7.819854679e-01 4.56 -7.655395288e-01 -7.655395288e-01 4.58 -7.495673439e-01 -7.495673439e-01 4.60 -7.340366942e-01 -7.340366942e-01 4.62 -7.189194022e-01 -7.189194022e-01 4.64 -7.041907525e-01 -7.041907525e-01 4.66 -6.898290055e-01 -6.898290055e-01 4.68 -6.758149567e-01 -6.758149567e-01 4.70 -6.621315891e-01 -6.621315891e-01 4.72 -6.487159588e-01 -6.487159588e-01 4.74 -6.356584631e-01 -6.356584631e-01 4.76 -6.228890653e-01 -6.228890653e-01 4.78 -6.103969858e-01 -6.103969858e-01 4.80 -5.981723829e-01 -5.981723829e-01 4.82 -5.862062141e-01 -5.862062141e-01 4.84 -5.744901202e-01 -5.744901202e-01 4.86 -5.630163269e-01 -5.630163269e-01 4.88 -5.517775535e-01 -5.517775535e-01 4.90 -5.407669337e-01 -5.407669337e-01 4.92 -5.299779474e-01 -5.299779474e-01 4.94 -5.194043577e-01 -5.194043577e-01 4.96 -5.090401513e-01 -5.090401513e-01 4.98 -4.988794873e-01 -4.988794873e-01 5.00 -4.889166458e-01 -4.889166458e-01 5.02 -4.791459805e-01 -4.791459805e-01 5.04 -4.695618699e-01 -4.695618699e-01 5.06 -4.601586729e-01 -4.601586729e-01 5.08 -4.509306801e-01 -4.509306801e-01 5.10 -4.418720668e-01 -4.418720668e-01 5.12 -4.329768434e-01 -4.329768434e-01 5.14 -4.242388069e-01 -4.242388069e-01 5.16 -4.156514869e-01 -4.156514869e-01 5.18 -4.072080964e-01 -4.072080964e-01 5.20 -3.989014771e-01 -3.989014771e-01 5.22 -3.907240521e-01 -3.907240521e-01 5.24 -3.826677761e-01 -3.826677761e-01 5.26 -3.747241005e-01 -3.747241005e-01 5.28 -3.668839412e-01 -3.668839412e-01 5.30 -3.591376723e-01 -3.591376723e-01 5.32 -3.514751364e-01 -3.514751364e-01 5.34 -3.438856954e-01 -3.438856954e-01 5.36 -3.363583198e-01 -3.363583198e-01 5.38 -3.288817383e-01 -3.288817383e-01 5.40 -3.214446555e-01 -3.214446555e-01 5.42 -3.140360509e-01 -3.140360509e-01 5.44 -3.066455665e-01 -3.066455665e-01 5.46 -2.992639830e-01 -2.992639830e-01 5.48 -2.918838096e-01 -2.918838096e-01 5.50 -2.844999134e-01 -2.844999134e-01 5.52 -2.771102288e-01 -2.771102288e-01 5.54 -2.697164028e-01 -2.697164028e-01 5.56 -2.623244122e-01 -2.623244122e-01 5.58 -2.549449454e-01 -2.549449454e-01 5.60 -2.475935859e-01 -2.475935859e-01 5.62 -2.402905919e-01 -2.402905919e-01 5.64 -2.330603326e-01 -2.330603326e-01 5.66 -2.259298582e-01 -2.259298582e-01 5.68 -2.189262886e-01 -2.189262886e-01 5.70 -2.120796887e-01 -2.120796887e-01 5.72 -2.054190462e-01 -2.054190462e-01 5.74 -1.989702032e-01 -1.989702032e-01 5.76 -1.927544618e-01 -1.927544618e-01 5.78 -1.867876694e-01 -1.867876694e-01 5.80 -1.810796952e-01 -1.810796952e-01 5.82 -1.756344488e-01 -1.756344488e-01 5.84 -1.704502315e-01 -1.704502315e-01 5.86 -1.655204411e-01 -1.655204411e-01 5.88 -1.608344146e-01 -1.608344146e-01 5.90 -1.563783709e-01 -1.563783709e-01 5.92 -1.521363036e-01 -1.521363036e-01 5.94 -1.480907951e-01 -1.480907951e-01 5.96 -1.442237038e-01 -1.442237038e-01 5.98 -1.405166985e-01 -1.405166985e-01 6.00 -1.369516596e-01 -1.369516596e-01