# 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 = Hf2TiZr # 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 2.386541811e+02 2.386541811e+02 1.28 2.228101666e+02 2.228101666e+02 1.30 2.080762063e+02 2.080762063e+02 1.32 1.943694937e+02 1.943694937e+02 1.34 1.816030927e+02 1.816030927e+02 1.36 1.696998353e+02 1.696998353e+02 1.38 1.585899457e+02 1.585899457e+02 1.40 1.482057732e+02 1.482057732e+02 1.42 1.384875537e+02 1.384875537e+02 1.44 1.293934253e+02 1.293934253e+02 1.46 1.208946917e+02 1.208946917e+02 1.48 1.129603997e+02 1.129603997e+02 1.50 1.055468206e+02 1.055468206e+02 1.52 9.860597434e+01 9.860597434e+01 1.54 9.210015060e+01 9.210015057e+01 1.56 8.600353064e+01 8.600353064e+01 1.58 8.029357441e+01 8.029357441e+01 1.60 7.494181320e+01 7.494181320e+01 1.62 6.991685366e+01 6.991685366e+01 1.64 6.519110482e+01 6.519110482e+01 1.66 6.074557282e+01 6.074557282e+01 1.68 5.656818888e+01 5.656818888e+01 1.70 5.264969065e+01 5.264969065e+01 1.72 4.898079619e+01 4.898079619e+01 1.74 4.554979807e+01 4.554979807e+01 1.76 4.234071873e+01 4.234071873e+01 1.78 3.933616421e+01 3.933616421e+01 1.80 3.651841619e+01 3.651841619e+01 1.82 3.387175216e+01 3.387175216e+01 1.84 3.138457243e+01 3.138457243e+01 1.86 2.904834861e+01 2.904834861e+01 1.88 2.685551165e+01 2.685551165e+01 1.90 2.479717940e+01 2.479717940e+01 1.92 2.286279243e+01 2.286279243e+01 1.94 2.104069248e+01 2.104069248e+01 1.96 1.932043905e+01 1.932043905e+01 1.98 1.769441860e+01 1.769441860e+01 2.00 1.615748177e+01 1.615748177e+01 2.02 1.470573654e+01 1.470573654e+01 2.04 1.333539305e+01 1.333539305e+01 2.06 1.204277985e+01 1.204277985e+01 2.08 1.082479097e+01 1.082479097e+01 2.10 9.678710194e+00 9.678710194e+00 2.12 8.602053085e+00 8.602053085e+00 2.14 7.591853797e+00 7.591853797e+00 2.16 6.644735004e+00 6.644735004e+00 2.18 5.756605631e+00 5.756605631e+00 2.20 4.923066033e+00 4.923066033e+00 2.22 4.139965137e+00 4.139965137e+00 2.24 3.404118637e+00 3.404118637e+00 2.26 2.713532518e+00 2.713532518e+00 2.28 2.067086353e+00 2.067086353e+00 2.30 1.464245071e+00 1.464245071e+00 2.32 9.034672643e-01 9.034672643e-01 2.34 3.820154486e-01 3.820154486e-01 2.36 -1.035889969e-01 -1.035889969e-01 2.38 -5.569421051e-01 -5.569421051e-01 2.40 -9.809479483e-01 -9.809479483e-01 2.42 -1.377813901e+00 -1.377813901e+00 2.44 -1.749099194e+00 -1.749099194e+00 2.46 -2.095916833e+00 -2.095916833e+00 2.48 -2.419153555e+00 -2.419153555e+00 2.50 -2.719698255e+00 -2.719698255e+00 2.52 -2.998658490e+00 -2.998658490e+00 2.54 -3.257500899e+00 -3.257500899e+00 2.56 -3.498052024e+00 -3.498052024e+00 2.58 -3.722276880e+00 -3.722276880e+00 2.60 -3.932374905e+00 -3.932374905e+00 2.62 -4.129987203e+00 -4.129987203e+00 2.64 -4.316375186e+00 -4.316375186e+00 2.66 -4.492200305e+00 -4.492200305e+00 2.68 -4.657588356e+00 -4.657588356e+00 2.70 -4.812365796e+00 -4.812365796e+00 2.72 -4.956355951e+00 -4.956355951e+00 2.74 -5.089506762e+00 -5.089506762e+00 2.76 -5.212204510e+00 -5.212204510e+00 2.78 -5.324819991e+00 -5.324819991e+00 2.80 -5.427918709e+00 -5.427918709e+00 2.82 -5.521512422e+00 -5.521512422e+00 2.84 -5.604462438e+00 -5.604462438e+00 2.86 -5.677414382e+00 -5.677414382e+00 2.88 -5.741004197e+00 -5.741004197e+00 2.90 -5.796082722e+00 -5.796082722e+00 2.92 -5.843377121e+00 -5.843377121e+00 2.94 -5.883432316e+00 -5.883432316e+00 2.96 -5.916640982e+00 -5.916640982e+00 2.98 -5.943333770e+00 -5.943333770e+00 3.00 -5.963709628e+00 -5.963709628e+00 3.02 -5.978191744e+00 -5.978191744e+00 3.04 -5.986955240e+00 -5.986955240e+00 3.06 -5.990470394e+00 -5.990470394e+00 3.08 -5.989158597e+00 -5.989158597e+00 3.10 -5.982957057e+00 -5.982957057e+00 3.12 -5.971998478e+00 -5.971998478e+00 3.14 -5.956318431e+00 -5.956318431e+00 3.16 -5.935989481e+00 -5.935989481e+00 3.18 -5.911141447e+00 -5.911141447e+00 3.20 -5.881955194e+00 -5.881955194e+00 3.22 -5.848641411e+00 -5.848641411e+00 3.24 -5.811413221e+00 -5.811413221e+00 3.26 -5.770464834e+00 -5.770464834e+00 3.28 -5.725962552e+00 -5.725962552e+00 3.30 -5.678048197e+00 -5.678048197e+00 3.32 -5.626852274e+00 -5.626852274e+00 3.34 -5.572490547e+00 -5.572490547e+00 3.36 -5.515206994e+00 -5.515206994e+00 3.38 -5.455236518e+00 -5.455236518e+00 3.40 -5.392962871e+00 -5.392962871e+00 3.42 -5.328894149e+00 -5.328894149e+00 3.44 -5.263636291e+00 -5.263636291e+00 3.46 -5.197831202e+00 -5.197831202e+00 3.48 -5.132075764e+00 -5.132075764e+00 3.50 -5.066847583e+00 -5.066847583e+00 3.52 -5.002459679e+00 -5.002459679e+00 3.54 -4.939052933e+00 -4.939052933e+00 3.56 -4.876620935e+00 -4.876620935e+00 3.58 -4.815052528e+00 -4.815052528e+00 3.60 -4.754177980e+00 -4.754177980e+00 3.62 -4.693808402e+00 -4.693808402e+00 3.64 -4.633764162e+00 -4.633764162e+00 3.66 -4.573891767e+00 -4.573891767e+00 3.68 -4.514070129e+00 -4.514070129e+00 3.70 -4.454208391e+00 -4.454208391e+00 3.72 -4.394236539e+00 -4.394236539e+00 3.74 -4.334092808e+00 -4.334092808e+00 3.76 -4.273711182e+00 -4.273711182e+00 3.78 -4.213014319e+00 -4.213014319e+00 3.80 -4.151914134e+00 -4.151914134e+00 3.82 -4.090319066e+00 -4.090319066e+00 3.84 -4.028145103e+00 -4.028145103e+00 3.86 -3.965276929e+00 -3.965276929e+00 3.88 -3.901781843e+00 -3.901781843e+00 3.90 -3.837592094e+00 -3.837592094e+00 3.92 -3.772742985e+00 -3.772742985e+00 3.94 -3.707320406e+00 -3.707320406e+00 3.96 -3.641469251e+00 -3.641469251e+00 3.98 -3.575397929e+00 -3.575397929e+00 4.00 -3.509374892e+00 -3.509374892e+00 4.02 -3.443729723e+00 -3.443729723e+00 4.04 -3.378613986e+00 -3.378613986e+00 4.06 -3.314712944e+00 -3.314712944e+00 4.08 -3.252127907e+00 -3.252127907e+00 4.10 -3.191089925e+00 -3.191089925e+00 4.12 -3.131754605e+00 -3.131754605e+00 4.14 -3.074200818e+00 -3.074200818e+00 4.16 -3.018439113e+00 -3.018439113e+00 4.18 -2.964425822e+00 -2.964425822e+00 4.20 -2.912078602e+00 -2.912078602e+00 4.22 -2.861290132e+00 -2.861290132e+00 4.24 -2.811938119e+00 -2.811938119e+00 4.26 -2.763891334e+00 -2.763891334e+00 4.28 -2.717012614e+00 -2.717012614e+00 4.30 -2.671160289e+00 -2.671160289e+00 4.32 -2.626189872e+00 -2.626189872e+00 4.34 -2.581957735e+00 -2.581957735e+00 4.36 -2.538327323e+00 -2.538327323e+00 4.38 -2.495177281e+00 -2.495177281e+00 4.40 -2.452409596e+00 -2.452409596e+00 4.42 -2.409955521e+00 -2.409955521e+00 4.44 -2.367777651e+00 -2.367777651e+00 4.46 -2.325867785e+00 -2.325867785e+00 4.48 -2.284241237e+00 -2.284241237e+00 4.50 -2.242929557e+00 -2.242929557e+00 4.52 -2.201973290e+00 -2.201973290e+00 4.54 -2.161415868e+00 -2.161415868e+00 4.56 -2.121299162e+00 -2.121299162e+00 4.58 -2.081660718e+00 -2.081660718e+00 4.60 -2.042532377e+00 -2.042532377e+00 4.62 -2.003939897e+00 -2.003939897e+00 4.64 -1.965903163e+00 -1.965903163e+00 4.66 -1.928436714e+00 -1.928436714e+00 4.68 -1.891550445e+00 -1.891550445e+00 4.70 -1.855250354e+00 -1.855250354e+00 4.72 -1.819429971e+00 -1.819429971e+00 4.74 -1.784326646e+00 -1.784326646e+00 4.76 -1.749805954e+00 -1.749805954e+00 4.78 -1.715864199e+00 -1.715864199e+00 4.80 -1.682495902e+00 -1.682495902e+00 4.82 -1.649694048e+00 -1.649694048e+00 4.84 -1.617450251e+00 -1.617450251e+00 4.86 -1.585754876e+00 -1.585754876e+00 4.88 -1.554597105e+00 -1.554597105e+00 4.90 -1.523964985e+00 -1.523964985e+00 4.92 -1.493845442e+00 -1.493845442e+00 4.94 -1.464224291e+00 -1.464224291e+00 4.96 -1.435086246e+00 -1.435086246e+00 4.98 -1.406414954e+00 -1.406414954e+00 5.00 -1.378193055e+00 -1.378193055e+00 5.02 -1.350402319e+00 -1.350402319e+00 5.04 -1.323023852e+00 -1.323023852e+00 5.06 -1.296038418e+00 -1.296038418e+00 5.08 -1.269426902e+00 -1.269426902e+00 5.10 -1.243170898e+00 -1.243170898e+00 5.12 -1.217253467e+00 -1.217253467e+00 5.14 -1.191659965e+00 -1.191659965e+00 5.16 -1.166378960e+00 -1.166378960e+00 5.18 -1.141403008e+00 -1.141403008e+00 5.20 -1.116729278e+00 -1.116729278e+00 5.22 -1.092359709e+00 -1.092359709e+00 5.24 -1.068300680e+00 -1.068300680e+00 5.26 -1.044561994e+00 -1.044561994e+00 5.28 -1.021155276e+00 -1.021155276e+00 5.30 -9.980919001e-01 -9.980919001e-01 5.32 -9.753806879e-01 -9.753806879e-01 5.34 -9.530258219e-01 -9.530258219e-01 5.36 -9.310251506e-01 -9.310251506e-01 5.38 -9.093693333e-01 -9.093693333e-01 5.40 -8.880417471e-01 -8.880417471e-01 5.42 -8.670193283e-01 -8.670193283e-01 5.44 -8.462740780e-01 -8.462740780e-01 5.46 -8.257751362e-01 -8.257751362e-01 5.48 -8.054912012e-01 -8.054912012e-01 5.50 -7.853930538e-01 -7.853930538e-01 5.52 -7.654561358e-01 -7.654561358e-01 5.54 -7.456628453e-01 -7.456628453e-01 5.56 -7.260046324e-01 -7.260046324e-01 5.58 -7.064834477e-01 -7.064834477e-01 5.60 -6.871126812e-01 -6.871126812e-01 5.62 -6.679171230e-01 -6.679171230e-01 5.64 -6.489321223e-01 -6.489321223e-01 5.66 -6.302016583e-01 -6.302016583e-01 5.68 -6.117755967e-01 -6.117755967e-01 5.70 -5.937062466e-01 -5.937062466e-01 5.72 -5.760445365e-01 -5.760445365e-01 5.74 -5.588363264e-01 -5.588363264e-01 5.76 -5.421190659e-01 -5.421190659e-01 5.78 -5.259194045e-01 -5.259194045e-01 5.80 -5.102516640e-01 -5.102516640e-01 5.82 -4.951175797e-01 -4.951175797e-01 5.84 -4.805069166e-01 -4.805069166e-01 5.86 -4.663990648e-01 -4.663990648e-01 5.88 -4.527651334e-01 -4.527651334e-01 5.90 -4.395704606e-01 -4.395704606e-01 5.92 -4.267771924e-01 -4.267771924e-01 5.94 -4.143467754e-01 -4.143467754e-01 5.96 -4.022421787e-01 -4.022421787e-01 5.98 -3.904297331e-01 -3.904297331e-01 6.00 -3.788805275e-01 -3.788805275e-01