# 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 = HfTaZr2 # 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 3.288460440e+02 3.288460440e+02 1.28 3.065757560e+02 3.065757560e+02 1.30 2.858892028e+02 2.858892028e+02 1.32 2.666634569e+02 2.666634569e+02 1.34 2.487775428e+02 2.487775428e+02 1.36 2.321201642e+02 2.321201642e+02 1.38 2.165926414e+02 2.165926414e+02 1.40 2.021072891e+02 2.021072891e+02 1.42 1.885872895e+02 1.885872895e+02 1.44 1.759693875e+02 1.759693875e+02 1.46 1.642000159e+02 1.642000159e+02 1.48 1.532262524e+02 1.532262524e+02 1.50 1.429885339e+02 1.429885339e+02 1.52 1.334237627e+02 1.334237627e+02 1.54 1.244739180e+02 1.244739179e+02 1.56 1.160901156e+02 1.160901156e+02 1.58 1.082310699e+02 1.082310699e+02 1.60 1.008583849e+02 1.008583849e+02 1.62 9.393706194e+01 9.393706194e+01 1.64 8.743750829e+01 8.743750829e+01 1.66 8.133653693e+01 8.133653693e+01 1.68 7.561494970e+01 7.561494970e+01 1.70 7.025469944e+01 7.025469944e+01 1.72 6.524000344e+01 6.524000344e+01 1.74 6.055275638e+01 6.055275638e+01 1.76 5.617168277e+01 5.617168277e+01 1.78 5.207601145e+01 5.207601145e+01 1.80 4.824589600e+01 4.824589600e+01 1.82 4.466254759e+01 4.466254759e+01 1.84 4.130978446e+01 4.130978446e+01 1.86 3.817383118e+01 3.817383118e+01 1.88 3.524237631e+01 3.524237631e+01 1.90 3.250276348e+01 3.250276348e+01 1.92 2.994124549e+01 2.994124549e+01 1.94 2.754317003e+01 2.754317003e+01 1.96 2.529463267e+01 2.529463267e+01 1.98 2.318380844e+01 2.318380844e+01 2.00 2.120085566e+01 2.120085566e+01 2.02 1.933723511e+01 1.933723511e+01 2.04 1.758509810e+01 1.758509810e+01 2.06 1.593734706e+01 1.593734706e+01 2.08 1.438793470e+01 1.438793470e+01 2.10 1.293168136e+01 1.293168136e+01 2.12 1.156414702e+01 1.156414702e+01 2.14 1.028105482e+01 1.028105482e+01 2.16 9.078266841e+00 9.078266841e+00 2.18 7.951268456e+00 7.951268456e+00 2.20 6.895278019e+00 6.895278019e+00 2.22 5.905631919e+00 5.905631919e+00 2.24 4.978376895e+00 4.978376895e+00 2.26 4.110470374e+00 4.110470374e+00 2.28 3.299460239e+00 3.299460239e+00 2.30 2.543227376e+00 2.543227376e+00 2.32 1.838879674e+00 1.838879674e+00 2.34 1.182705427e+00 1.182705427e+00 2.36 5.706298957e-01 5.706298957e-01 2.38 -1.265099120e-03 -1.265099120e-03 2.40 -5.361028256e-01 -5.361028256e-01 2.42 -1.036299849e+00 -1.036299849e+00 2.44 -1.503685073e+00 -1.503685073e+00 2.46 -1.939727867e+00 -1.939727867e+00 2.48 -2.345747537e+00 -2.345747537e+00 2.50 -2.723092221e+00 -2.723092221e+00 2.52 -3.073285474e+00 -3.073285474e+00 2.54 -3.398114133e+00 -3.398114133e+00 2.56 -3.699615707e+00 -3.699615707e+00 2.58 -3.979896232e+00 -3.979896232e+00 2.60 -4.241193727e+00 -4.241193727e+00 2.62 -4.485274187e+00 -4.485274187e+00 2.64 -4.713588211e+00 -4.713588211e+00 2.66 -4.927120339e+00 -4.927120339e+00 2.68 -5.126435197e+00 -5.126435197e+00 2.70 -5.311832936e+00 -5.311832936e+00 2.72 -5.483548292e+00 -5.483548292e+00 2.74 -5.641832178e+00 -5.641832178e+00 2.76 -5.787238799e+00 -5.787238799e+00 2.78 -5.920261437e+00 -5.920261437e+00 2.80 -6.041551669e+00 -6.041551669e+00 2.82 -6.151822399e+00 -6.151822399e+00 2.84 -6.251794118e+00 -6.251794118e+00 2.86 -6.341457310e+00 -6.341457310e+00 2.88 -6.420227431e+00 -6.420227431e+00 2.90 -6.488026148e+00 -6.488026148e+00 2.92 -6.545853938e+00 -6.545853938e+00 2.94 -6.594591573e+00 -6.594591573e+00 2.96 -6.634960543e+00 -6.634960543e+00 2.98 -6.667545307e+00 -6.667545307e+00 3.00 -6.692815636e+00 -6.692815636e+00 3.02 -6.711360720e+00 -6.711360720e+00 3.04 -6.723497525e+00 -6.723497525e+00 3.06 -6.729560641e+00 -6.729560641e+00 3.08 -6.730281677e+00 -6.730281677e+00 3.10 -6.725615110e+00 -6.725615110e+00 3.12 -6.715441233e+00 -6.715441233e+00 3.14 -6.699764819e+00 -6.699764819e+00 3.16 -6.678518143e+00 -6.678518143e+00 3.18 -6.651592532e+00 -6.651592532e+00 3.20 -6.618901475e+00 -6.618901475e+00 3.22 -6.580393716e+00 -6.580393716e+00 3.24 -6.536069050e+00 -6.536069050e+00 3.26 -6.485991826e+00 -6.485991826e+00 3.28 -6.430297961e+00 -6.430297961e+00 3.30 -6.369193130e+00 -6.369193130e+00 3.32 -6.302946051e+00 -6.302946051e+00 3.34 -6.231862584e+00 -6.231862584e+00 3.36 -6.156391013e+00 -6.156391013e+00 3.38 -6.076992961e+00 -6.076992961e+00 3.40 -5.994279721e+00 -5.994279721e+00 3.42 -5.908993822e+00 -5.908993822e+00 3.44 -5.821983822e+00 -5.821983822e+00 3.46 -5.734137421e+00 -5.734137421e+00 3.48 -5.646285720e+00 -5.646285720e+00 3.50 -5.559108632e+00 -5.559108632e+00 3.52 -5.473070133e+00 -5.473070133e+00 3.54 -5.388399511e+00 -5.388399511e+00 3.56 -5.305115163e+00 -5.305115163e+00 3.58 -5.223074803e+00 -5.223074803e+00 3.60 -5.142033651e+00 -5.142033651e+00 3.62 -5.061696764e+00 -5.061696764e+00 3.64 -4.981759266e+00 -4.981759266e+00 3.66 -4.901933769e+00 -4.901933769e+00 3.68 -4.821967279e+00 -4.821967279e+00 3.70 -4.741650805e+00 -4.741650805e+00 3.72 -4.660824309e+00 -4.660824309e+00 3.74 -4.579378328e+00 -4.579378328e+00 3.76 -4.497253385e+00 -4.497253385e+00 3.78 -4.414437261e+00 -4.414437261e+00 3.80 -4.330960481e+00 -4.330960481e+00 3.82 -4.246890085e+00 -4.246890085e+00 3.84 -4.162323029e+00 -4.162323029e+00 3.86 -4.077332400e+00 -4.077332400e+00 3.88 -3.992163733e+00 -3.992163733e+00 3.90 -3.906917293e+00 -3.906917293e+00 3.92 -3.821776148e+00 -3.821776148e+00 3.94 -3.736953017e+00 -3.736953017e+00 3.96 -3.652698448e+00 -3.652698448e+00 3.98 -3.569306318e+00 -3.569306318e+00 4.00 -3.487112478e+00 -3.487112478e+00 4.02 -3.406498430e+00 -3.406498430e+00 4.04 -3.327649143e+00 -3.327649143e+00 4.06 -3.251274801e+00 -3.251274801e+00 4.08 -3.177475974e+00 -3.177475974e+00 4.10 -3.106465133e+00 -3.106465133e+00 4.12 -3.038357452e+00 -3.038357452e+00 4.14 -2.973170489e+00 -2.973170489e+00 4.16 -2.910835914e+00 -2.910835914e+00 4.18 -2.851218659e+00 -2.851218659e+00 4.20 -2.794138353e+00 -2.794138353e+00 4.22 -2.739388908e+00 -2.739388908e+00 4.24 -2.686753862e+00 -2.686753862e+00 4.26 -2.636016853e+00 -2.636016853e+00 4.28 -2.586967831e+00 -2.586967831e+00 4.30 -2.539406382e+00 -2.539406382e+00 4.32 -2.493143766e+00 -2.493143766e+00 4.34 -2.448005085e+00 -2.448005085e+00 4.36 -2.403832319e+00 -2.403832319e+00 4.38 -2.360488175e+00 -2.360488175e+00 4.40 -2.317859743e+00 -2.317859743e+00 4.42 -2.275860723e+00 -2.275860723e+00 4.44 -2.234431407e+00 -2.234431407e+00 4.46 -2.193536204e+00 -2.193536204e+00 4.48 -2.153159108e+00 -2.153159108e+00 4.50 -2.113298341e+00 -2.113298341e+00 4.52 -2.073961167e+00 -2.073961167e+00 4.54 -2.035159496e+00 -2.035159496e+00 4.56 -1.996906600e+00 -1.996906600e+00 4.58 -1.959214980e+00 -1.959214980e+00 4.60 -1.922095146e+00 -1.922095146e+00 4.62 -1.885555084e+00 -1.885555084e+00 4.64 -1.849600156e+00 -1.849600156e+00 4.66 -1.814233241e+00 -1.814233241e+00 4.68 -1.779455028e+00 -1.779455028e+00 4.70 -1.745264385e+00 -1.745264385e+00 4.72 -1.711560241e+00 -1.711560241e+00 4.74 -1.678553055e+00 -1.678553055e+00 4.76 -1.646118276e+00 -1.646118276e+00 4.78 -1.614250718e+00 -1.614250718e+00 4.80 -1.582944424e+00 -1.582944424e+00 4.82 -1.552192821e+00 -1.552192821e+00 4.84 -1.521988844e+00 -1.521988844e+00 4.86 -1.492325031e+00 -1.492325031e+00 4.88 -1.463193588e+00 -1.463193588e+00 4.90 -1.434586440e+00 -1.434586440e+00 4.92 -1.406495260e+00 -1.406495260e+00 4.94 -1.378911489e+00 -1.378911489e+00 4.96 -1.351826337e+00 -1.351826337e+00 4.98 -1.325230779e+00 -1.325230779e+00 5.00 -1.299115532e+00 -1.299115532e+00 5.02 -1.273471034e+00 -1.273471034e+00 5.04 -1.248287401e+00 -1.248287401e+00 5.06 -1.223554383e+00 -1.223554383e+00 5.08 -1.199261307e+00 -1.199261307e+00 5.10 -1.175397011e+00 -1.175397011e+00 5.12 -1.151949764e+00 -1.151949764e+00 5.14 -1.128907186e+00 -1.128907186e+00 5.16 -1.106256143e+00 -1.106256143e+00 5.18 -1.083982654e+00 -1.083982654e+00 5.20 -1.062071767e+00 -1.062071767e+00 5.22 -1.040507452e+00 -1.040507452e+00 5.24 -1.019272475e+00 -1.019272475e+00 5.26 -9.983482967e-01 -9.983482967e-01 5.28 -9.777149591e-01 -9.777149591e-01 5.30 -9.573510248e-01 -9.573510248e-01 5.32 -9.372335298e-01 -9.372335298e-01 5.34 -9.173380171e-01 -9.173380171e-01 5.36 -8.976386336e-01 -8.976386336e-01 5.38 -8.781083545e-01 -8.781083545e-01 5.40 -8.587193434e-01 -8.587193434e-01 5.42 -8.394434935e-01 -8.394434935e-01 5.44 -8.202531941e-01 -8.202531941e-01 5.46 -8.011223195e-01 -8.011223195e-01 5.48 -7.820275169e-01 -7.820275169e-01 5.50 -7.629496858e-01 -7.629496858e-01 5.52 -7.438757480e-01 -7.438757480e-01 5.54 -7.248004272e-01 -7.248004272e-01 5.56 -7.057281313e-01 -7.057281313e-01 5.58 -6.866744556e-01 -6.866744556e-01 5.60 -6.676673794e-01 -6.676673794e-01 5.62 -6.487475717e-01 -6.487475717e-01 5.64 -6.299678977e-01 -6.299678977e-01 5.66 -6.113917040e-01 -6.113917040e-01 5.68 -5.930900890e-01 -5.930900890e-01 5.70 -5.751381999e-01 -5.751381999e-01 5.72 -5.576108935e-01 -5.576108935e-01 5.74 -5.405783264e-01 -5.405783264e-01 5.76 -5.241017539e-01 -5.241017539e-01 5.78 -5.082303053e-01 -5.082303053e-01 5.80 -4.929986802e-01 -4.929986802e-01 5.82 -4.784263120e-01 -4.784263120e-01 5.84 -4.645175471e-01 -4.645175471e-01 5.86 -4.512629923e-01 -4.512629923e-01 5.88 -4.386414376e-01 -4.386414376e-01 5.90 -4.266222550e-01 -4.266222550e-01 5.92 -4.151678178e-01 -4.151678178e-01 5.94 -4.042358047e-01 -4.042358047e-01 5.96 -3.937812013e-01 -3.937812013e-01 5.98 -3.837579093e-01 -3.837579093e-01 6.00 -3.741199696e-01 -3.741199696e-01