# 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 = HfTi2Zr # 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 2.053932321e+02 2.053932321e+02 1.28 1.916060453e+02 1.916060453e+02 1.30 1.787766500e+02 1.787766500e+02 1.32 1.668299452e+02 1.668299452e+02 1.34 1.556994084e+02 1.556994084e+02 1.36 1.453289979e+02 1.453289979e+02 1.38 1.356636609e+02 1.356636609e+02 1.40 1.266438566e+02 1.266438566e+02 1.42 1.182137256e+02 1.182137256e+02 1.44 1.103319399e+02 1.103319399e+02 1.46 1.029681954e+02 1.029681954e+02 1.48 9.609044464e+01 9.609044464e+01 1.50 8.965813794e+01 8.965813794e+01 1.52 8.363091907e+01 8.363091907e+01 1.54 7.797926666e+01 7.797926664e+01 1.56 7.268375618e+01 7.268375618e+01 1.58 6.772735897e+01 6.772735897e+01 1.60 6.308790344e+01 6.308790344e+01 1.62 5.873961128e+01 5.873961128e+01 1.64 5.465891704e+01 5.465891704e+01 1.66 5.082879966e+01 5.082879966e+01 1.68 4.723673095e+01 4.723673095e+01 1.70 4.387325074e+01 4.387325074e+01 1.72 4.072899884e+01 4.072899884e+01 1.74 3.779245640e+01 3.779245640e+01 1.76 3.504848484e+01 3.504848484e+01 1.78 3.248001254e+01 3.248001254e+01 1.80 3.006959314e+01 3.006959314e+01 1.82 2.780232022e+01 2.780232022e+01 1.84 2.566797116e+01 2.566797116e+01 1.86 2.365985040e+01 2.365985040e+01 1.88 2.177237191e+01 2.177237191e+01 1.90 1.999894264e+01 1.999894264e+01 1.92 1.833169938e+01 1.833169938e+01 1.94 1.676203868e+01 1.676203868e+01 1.96 1.528222819e+01 1.528222819e+01 1.98 1.388644991e+01 1.388644991e+01 2.00 1.257042870e+01 1.257042870e+01 2.02 1.133043420e+01 1.133043420e+01 2.04 1.016248811e+01 1.016248811e+01 2.06 9.062666706e+00 9.062666706e+00 2.08 8.027859788e+00 8.027859788e+00 2.10 7.055834261e+00 7.055834261e+00 2.12 6.144865128e+00 6.144865128e+00 2.14 5.292799524e+00 5.292799524e+00 2.16 4.496767263e+00 4.496767263e+00 2.18 3.753001352e+00 3.753001352e+00 2.20 3.057388992e+00 3.057388992e+00 2.22 2.406138232e+00 2.406138232e+00 2.24 1.796349504e+00 1.796349504e+00 2.26 1.226075436e+00 1.226075436e+00 2.28 6.939698443e-01 6.939698443e-01 2.30 1.990723198e-01 1.990723198e-01 2.32 -2.602163137e-01 -2.602163137e-01 2.34 -6.862812684e-01 -6.862812684e-01 2.36 -1.082085109e+00 -1.082085109e+00 2.38 -1.450802790e+00 -1.450802790e+00 2.40 -1.795233647e+00 -1.795233647e+00 2.42 -2.117670406e+00 -2.117670406e+00 2.44 -2.419815522e+00 -2.419815522e+00 2.46 -2.702833557e+00 -2.702833557e+00 2.48 -2.967465983e+00 -2.967465983e+00 2.50 -3.214220635e+00 -3.214220635e+00 2.52 -3.443611532e+00 -3.443611532e+00 2.54 -3.656362941e+00 -3.656362941e+00 2.56 -3.853495988e+00 -3.853495988e+00 2.58 -4.036231731e+00 -4.036231731e+00 2.60 -4.206074201e+00 -4.206074201e+00 2.62 -4.364289841e+00 -4.364289841e+00 2.64 -4.512008305e+00 -4.512008305e+00 2.66 -4.650036281e+00 -4.650036281e+00 2.68 -4.778838063e+00 -4.778838063e+00 2.70 -4.898627768e+00 -4.898627768e+00 2.72 -5.009524917e+00 -5.009524917e+00 2.74 -5.111637807e+00 -5.111637807e+00 2.76 -5.205140900e+00 -5.205140900e+00 2.78 -5.289105383e+00 -5.289105383e+00 2.80 -5.363687959e+00 -5.363687959e+00 2.82 -5.428821283e+00 -5.428821283e+00 2.84 -5.484992476e+00 -5.484992476e+00 2.86 -5.532938745e+00 -5.532938745e+00 2.88 -5.573311195e+00 -5.573311195e+00 2.90 -5.606662830e+00 -5.606662830e+00 2.92 -5.633457846e+00 -5.633457846e+00 2.94 -5.654045274e+00 -5.654045274e+00 2.96 -5.668698649e+00 -5.668698649e+00 2.98 -5.677680960e+00 -5.677680960e+00 3.00 -5.681312926e+00 -5.681312926e+00 3.02 -5.679776955e+00 -5.679776955e+00 3.04 -5.673165488e+00 -5.673165488e+00 3.06 -5.661742067e+00 -5.661742067e+00 3.08 -5.645682052e+00 -5.645682052e+00 3.10 -5.624952608e+00 -5.624952608e+00 3.12 -5.599626539e+00 -5.599626539e+00 3.14 -5.569839179e+00 -5.569839179e+00 3.16 -5.535826796e+00 -5.535826796e+00 3.18 -5.497945939e+00 -5.497945939e+00 3.20 -5.456653989e+00 -5.456653989e+00 3.22 -5.412450826e+00 -5.412450826e+00 3.24 -5.365803907e+00 -5.365803907e+00 3.26 -5.317088526e+00 -5.317088526e+00 3.28 -5.266562463e+00 -5.266562463e+00 3.30 -5.214375407e+00 -5.214375407e+00 3.32 -5.160599896e+00 -5.160599896e+00 3.34 -5.105253219e+00 -5.105253219e+00 3.36 -5.048414880e+00 -5.048414880e+00 3.38 -4.990144604e+00 -4.990144604e+00 3.40 -4.930599061e+00 -4.930599061e+00 3.42 -4.870020629e+00 -4.870020629e+00 3.44 -4.808723887e+00 -4.808723887e+00 3.46 -4.747056879e+00 -4.747056879e+00 3.48 -4.685347763e+00 -4.685347763e+00 3.50 -4.623854269e+00 -4.623854269e+00 3.52 -4.562731504e+00 -4.562731504e+00 3.54 -4.502024958e+00 -4.502024958e+00 3.56 -4.441685971e+00 -4.441685971e+00 3.58 -4.381600406e+00 -4.381600406e+00 3.60 -4.321621607e+00 -4.321621607e+00 3.62 -4.261601037e+00 -4.261601037e+00 3.64 -4.201413844e+00 -4.201413844e+00 3.66 -4.140978420e+00 -4.140978420e+00 3.68 -4.080268910e+00 -4.080268910e+00 3.70 -4.019319278e+00 -4.019319278e+00 3.72 -3.958216563e+00 -3.958216563e+00 3.74 -3.897083522e+00 -3.897083522e+00 3.76 -3.836053222e+00 -3.836053222e+00 3.78 -3.775242408e+00 -3.775242408e+00 3.80 -3.714730977e+00 -3.714730977e+00 3.82 -3.654552322e+00 -3.654552322e+00 3.84 -3.594695486e+00 -3.594695486e+00 3.86 -3.535082358e+00 -3.535082358e+00 3.88 -3.475722529e+00 -3.475722529e+00 3.90 -3.416508913e+00 -3.416508913e+00 3.92 -3.357390825e+00 -3.357390825e+00 3.94 -3.298347082e+00 -3.298347082e+00 3.96 -3.239398148e+00 -3.239398148e+00 3.98 -3.180613527e+00 -3.180613527e+00 4.00 -3.122112146e+00 -3.122112146e+00 4.02 -3.064063245e+00 -3.064063245e+00 4.04 -3.006544284e+00 -3.006544284e+00 4.06 -2.949954180e+00 -2.949954180e+00 4.08 -2.894354554e+00 -2.894354554e+00 4.10 -2.839883868e+00 -2.839883868e+00 4.12 -2.786634180e+00 -2.786634180e+00 4.14 -2.734649013e+00 -2.734649013e+00 4.16 -2.683928389e+00 -2.683928389e+00 4.18 -2.634438272e+00 -2.634438272e+00 4.20 -2.586121350e+00 -2.586121350e+00 4.22 -2.538906780e+00 -2.538906780e+00 4.24 -2.492717580e+00 -2.492717580e+00 4.26 -2.447475374e+00 -2.447475374e+00 4.28 -2.403102921e+00 -2.403102921e+00 4.30 -2.359525273e+00 -2.359525273e+00 4.32 -2.316670508e+00 -2.316670508e+00 4.34 -2.274470937e+00 -2.274470937e+00 4.36 -2.232865131e+00 -2.232865131e+00 4.38 -2.191800616e+00 -2.191800616e+00 4.40 -2.151236534e+00 -2.151236534e+00 4.42 -2.111145419e+00 -2.111145419e+00 4.44 -2.071513456e+00 -2.071513456e+00 4.46 -2.032339125e+00 -2.032339125e+00 4.48 -1.993630507e+00 -1.993630507e+00 4.50 -1.955402039e+00 -1.955402039e+00 4.52 -1.917671371e+00 -1.917671371e+00 4.54 -1.880456763e+00 -1.880456763e+00 4.56 -1.843775210e+00 -1.843775210e+00 4.58 -1.807641279e+00 -1.807641279e+00 4.60 -1.772066552e+00 -1.772066552e+00 4.62 -1.737059481e+00 -1.737059481e+00 4.64 -1.702625501e+00 -1.702625501e+00 4.66 -1.668767268e+00 -1.668767268e+00 4.68 -1.635484973e+00 -1.635484973e+00 4.70 -1.602776684e+00 -1.602776684e+00 4.72 -1.570568185e+00 -1.570568185e+00 4.74 -1.539007251e+00 -1.539007251e+00 4.76 -1.508001592e+00 -1.508001592e+00 4.78 -1.477543335e+00 -1.477543335e+00 4.80 -1.447623268e+00 -1.447623268e+00 4.82 -1.418230914e+00 -1.418230914e+00 4.84 -1.389354553e+00 -1.389354553e+00 4.86 -1.360981220e+00 -1.360981220e+00 4.88 -1.333096666e+00 -1.333096666e+00 4.90 -1.305685319e+00 -1.305685319e+00 4.92 -1.278730227e+00 -1.278730227e+00 4.94 -1.252213016e+00 -1.252213016e+00 4.96 -1.226113865e+00 -1.226113865e+00 4.98 -1.200411550e+00 -1.200411550e+00 5.00 -1.175083542e+00 -1.175083542e+00 5.02 -1.150106243e+00 -1.150106243e+00 5.04 -1.125455363e+00 -1.125455363e+00 5.06 -1.101106494e+00 -1.101106494e+00 5.08 -1.077035936e+00 -1.077035936e+00 5.10 -1.053221745e+00 -1.053221745e+00 5.12 -1.029645074e+00 -1.029645074e+00 5.14 -1.006291638e+00 -1.006291638e+00 5.16 -9.831533409e-01 -9.831533409e-01 5.18 -9.602296670e-01 -9.602296670e-01 5.20 -9.375288154e-01 -9.375288154e-01 5.22 -9.150680428e-01 -9.150680428e-01 5.24 -8.928731906e-01 -8.928731906e-01 5.26 -8.709770368e-01 -8.709770368e-01 5.28 -8.494166380e-01 -8.494166380e-01 5.30 -8.282298555e-01 -8.282298555e-01 5.32 -8.074514559e-01 -8.074514559e-01 5.34 -7.871095041e-01 -7.871095041e-01 5.36 -7.672223440e-01 -7.672223440e-01 5.38 -7.477968767e-01 -7.477968767e-01 5.40 -7.288279861e-01 -7.288279861e-01 5.42 -7.102993770e-01 -7.102993770e-01 5.44 -6.921853246e-01 -6.921853246e-01 5.46 -6.744532032e-01 -6.744532032e-01 5.48 -6.570663506e-01 -6.570663506e-01 5.50 -6.399869986e-01 -6.399869986e-01 5.52 -6.231791019e-01 -6.231791019e-01 5.54 -6.066107851e-01 -6.066107851e-01 5.56 -5.902564764e-01 -5.902564764e-01 5.58 -5.740983975e-01 -5.740983975e-01 5.60 -5.581275753e-01 -5.581275753e-01 5.62 -5.423440332e-01 -5.423440332e-01 5.64 -5.267563428e-01 -5.267563428e-01 5.66 -5.113802959e-01 -5.113802959e-01 5.68 -4.962369447e-01 -4.962369447e-01 5.70 -4.813500460e-01 -4.813500460e-01 5.72 -4.667431806e-01 -4.667431806e-01 5.74 -4.524369104e-01 -4.524369104e-01 5.76 -4.384461841e-01 -4.384461841e-01 5.78 -4.247784468e-01 -4.247784468e-01 5.80 -4.114324474e-01 -4.114324474e-01 5.82 -3.983980793e-01 -3.983980793e-01 5.84 -3.856570018e-01 -3.856570018e-01 5.86 -3.731841446e-01 -3.731841446e-01 5.88 -3.609497347e-01 -3.609497347e-01 5.90 -3.489217875e-01 -3.489217875e-01 5.92 -3.370687894e-01 -3.370687894e-01 5.94 -3.253623914e-01 -3.253623914e-01 5.96 -3.137798872e-01 -3.137798872e-01 5.98 -3.023063161e-01 -3.023063161e-01 6.00 -2.909360993e-01 -2.909360993e-01