# 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 = HfNbTi2 # 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 2.628514628e+02 2.628514628e+02 1.28 2.445962581e+02 2.445962581e+02 1.30 2.276331171e+02 2.276331171e+02 1.32 2.118557990e+02 2.118557990e+02 1.34 1.971715784e+02 1.971715784e+02 1.36 1.835030450e+02 1.835030450e+02 1.38 1.707823662e+02 1.707823662e+02 1.40 1.589452329e+02 1.589452329e+02 1.42 1.479275982e+02 1.479275982e+02 1.44 1.376683458e+02 1.376683458e+02 1.46 1.281117413e+02 1.281117413e+02 1.48 1.192046195e+02 1.192046195e+02 1.50 1.108921859e+02 1.108921859e+02 1.52 1.031224614e+02 1.031224614e+02 1.54 9.585217378e+01 9.585217385e+01 1.56 8.904742280e+01 8.904742280e+01 1.58 8.267940906e+01 8.267940906e+01 1.60 7.671962411e+01 7.671962411e+01 1.62 7.113970403e+01 7.113970403e+01 1.64 6.591723553e+01 6.591723553e+01 1.66 6.103548877e+01 6.103548877e+01 1.68 5.647387275e+01 5.647387275e+01 1.70 5.221287512e+01 5.221287512e+01 1.72 4.823501285e+01 4.823501285e+01 1.74 4.452455337e+01 4.452455337e+01 1.76 4.106492387e+01 4.106492387e+01 1.78 3.783817414e+01 3.783817414e+01 1.80 3.482576683e+01 3.482576683e+01 1.82 3.201084198e+01 3.201084198e+01 1.84 2.937967302e+01 2.937967302e+01 1.86 2.692098318e+01 2.692098318e+01 1.88 2.462488100e+01 2.462488100e+01 1.90 2.248172891e+01 2.248172891e+01 1.92 2.048203220e+01 2.048203220e+01 1.94 1.861618512e+01 1.861618512e+01 1.96 1.687488070e+01 1.687488070e+01 1.98 1.524953940e+01 1.524953940e+01 2.00 1.373227645e+01 1.373227645e+01 2.02 1.231563034e+01 1.231563034e+01 2.04 1.099243630e+01 1.099243630e+01 2.06 9.755941985e+00 9.755941985e+00 2.08 8.600355790e+00 8.600355790e+00 2.10 7.520814825e+00 7.520814825e+00 2.12 6.513101979e+00 6.513101979e+00 2.14 5.572981666e+00 5.572981666e+00 2.16 4.695946100e+00 4.695946100e+00 2.18 3.877159813e+00 3.877159813e+00 2.20 3.111969020e+00 3.111969020e+00 2.22 2.396454531e+00 2.396454531e+00 2.24 1.727735940e+00 1.727735940e+00 2.26 1.103917625e+00 1.103917625e+00 2.28 5.235621755e-01 5.235621755e-01 2.30 -1.452944618e-02 -1.452944618e-02 2.32 -5.121068352e-01 -5.121068352e-01 2.34 -9.716484894e-01 -9.716484894e-01 2.36 -1.396235218e+00 -1.396235218e+00 2.38 -1.789245282e+00 -1.789245282e+00 2.40 -2.153867572e+00 -2.153867572e+00 2.42 -2.492892693e+00 -2.492892693e+00 2.44 -2.808582995e+00 -2.808582995e+00 2.46 -3.102674265e+00 -3.102674265e+00 2.48 -3.376443099e+00 -3.376443099e+00 2.50 -3.630838341e+00 -3.630838341e+00 2.52 -3.866662297e+00 -3.866662297e+00 2.54 -4.084745475e+00 -4.084745475e+00 2.56 -4.286053538e+00 -4.286053538e+00 2.58 -4.471673394e+00 -4.471673394e+00 2.60 -4.642885507e+00 -4.642885507e+00 2.62 -4.800842232e+00 -4.800842232e+00 2.64 -4.946602209e+00 -4.946602209e+00 2.66 -5.080992447e+00 -5.080992447e+00 2.68 -5.204588907e+00 -5.204588907e+00 2.70 -5.317786017e+00 -5.317786017e+00 2.72 -5.420533320e+00 -5.420533320e+00 2.74 -5.512439352e+00 -5.512439352e+00 2.76 -5.594118170e+00 -5.594118170e+00 2.78 -5.665905601e+00 -5.665905601e+00 2.80 -5.727573655e+00 -5.727573655e+00 2.82 -5.779758656e+00 -5.779758656e+00 2.84 -5.823078087e+00 -5.823078087e+00 2.86 -5.858108490e+00 -5.858108490e+00 2.88 -5.885381962e+00 -5.885381962e+00 2.90 -5.905341532e+00 -5.905341532e+00 2.92 -5.918507988e+00 -5.918507988e+00 2.94 -5.925398260e+00 -5.925398260e+00 2.96 -5.926166140e+00 -5.926166140e+00 2.98 -5.920917389e+00 -5.920917389e+00 3.00 -5.909904644e+00 -5.909904644e+00 3.02 -5.893426406e+00 -5.893426406e+00 3.04 -5.871445054e+00 -5.871445054e+00 3.06 -5.843949414e+00 -5.843949414e+00 3.08 -5.811052664e+00 -5.811052664e+00 3.10 -5.772754960e+00 -5.772754960e+00 3.12 -5.729133372e+00 -5.729133372e+00 3.14 -5.680339581e+00 -5.680339581e+00 3.16 -5.626650855e+00 -5.626650855e+00 3.18 -5.568498494e+00 -5.568498494e+00 3.20 -5.506449928e+00 -5.506449928e+00 3.22 -5.441142338e+00 -5.441142338e+00 3.24 -5.373193464e+00 -5.373193464e+00 3.26 -5.303127233e+00 -5.303127233e+00 3.28 -5.231339852e+00 -5.231339852e+00 3.30 -5.158108407e+00 -5.158108407e+00 3.32 -5.083626109e+00 -5.083626109e+00 3.34 -5.008032226e+00 -5.008032226e+00 3.36 -4.931503994e+00 -4.931503994e+00 3.38 -4.854195909e+00 -4.854195909e+00 3.40 -4.776312623e+00 -4.776312623e+00 3.42 -4.698088143e+00 -4.698088143e+00 3.44 -4.619766584e+00 -4.619766584e+00 3.46 -4.541573684e+00 -4.541573684e+00 3.48 -4.463686260e+00 -4.463686260e+00 3.50 -4.386209339e+00 -4.386209339e+00 3.52 -4.309166095e+00 -4.309166095e+00 3.54 -4.232502142e+00 -4.232502142e+00 3.56 -4.156100908e+00 -4.156100908e+00 3.58 -4.079805397e+00 -4.079805397e+00 3.60 -4.003442544e+00 -4.003442544e+00 3.62 -3.926847581e+00 -3.926847581e+00 3.64 -3.849887766e+00 -3.849887766e+00 3.66 -3.772484335e+00 -3.772484335e+00 3.68 -3.694630989e+00 -3.694630989e+00 3.70 -3.616405307e+00 -3.616405307e+00 3.72 -3.537969139e+00 -3.537969139e+00 3.74 -3.459554865e+00 -3.459554865e+00 3.76 -3.381438860e+00 -3.381438860e+00 3.78 -3.303907888e+00 -3.303907888e+00 3.80 -3.227227126e+00 -3.227227126e+00 3.82 -3.151617627e+00 -3.151617627e+00 3.84 -3.077247195e+00 -3.077247195e+00 3.86 -3.004210313e+00 -3.004210313e+00 3.88 -2.932636335e+00 -2.932636335e+00 3.90 -2.862550009e+00 -2.862550009e+00 3.92 -2.793993804e+00 -2.793993804e+00 3.94 -2.727009822e+00 -2.727009822e+00 3.96 -2.661647013e+00 -2.661647013e+00 3.98 -2.597963947e+00 -2.597963947e+00 4.00 -2.536027251e+00 -2.536027251e+00 4.02 -2.475911811e+00 -2.475911811e+00 4.04 -2.417607227e+00 -2.417607227e+00 4.06 -2.361301523e+00 -2.361301523e+00 4.08 -2.306942554e+00 -2.306942554e+00 4.10 -2.254525066e+00 -2.254525066e+00 4.12 -2.204013920e+00 -2.204013920e+00 4.14 -2.155347285e+00 -2.155347285e+00 4.16 -2.108442577e+00 -2.108442577e+00 4.18 -2.063203504e+00 -2.063203504e+00 4.20 -2.019526707e+00 -2.019526707e+00 4.22 -1.977306961e+00 -1.977306961e+00 4.24 -1.936440523e+00 -1.936440523e+00 4.26 -1.896826693e+00 -1.896826693e+00 4.28 -1.858368033e+00 -1.858368033e+00 4.30 -1.820969985e+00 -1.820969985e+00 4.32 -1.784540690e+00 -1.784540690e+00 4.34 -1.748991684e+00 -1.748991684e+00 4.36 -1.714239725e+00 -1.714239725e+00 4.38 -1.680209563e+00 -1.680209563e+00 4.40 -1.646836830e+00 -1.646836830e+00 4.42 -1.614070159e+00 -1.614070159e+00 4.44 -1.581871874e+00 -1.581871874e+00 4.46 -1.550217070e+00 -1.550217070e+00 4.48 -1.519091323e+00 -1.519091323e+00 4.50 -1.488487792e+00 -1.488487792e+00 4.52 -1.458404352e+00 -1.458404352e+00 4.54 -1.428841161e+00 -1.428841161e+00 4.56 -1.399798875e+00 -1.399798875e+00 4.58 -1.371277515e+00 -1.371277515e+00 4.60 -1.343275859e+00 -1.343275859e+00 4.62 -1.315791216e+00 -1.315791216e+00 4.64 -1.288819415e+00 -1.288819415e+00 4.66 -1.262354920e+00 -1.262354920e+00 4.68 -1.236390992e+00 -1.236390992e+00 4.70 -1.210919878e+00 -1.210919878e+00 4.72 -1.185887998e+00 -1.185887998e+00 4.74 -1.161383586e+00 -1.161383586e+00 4.76 -1.137342197e+00 -1.137342197e+00 4.78 -1.113753215e+00 -1.113753215e+00 4.80 -1.090605276e+00 -1.090605276e+00 4.82 -1.067886245e+00 -1.067886245e+00 4.84 -1.045583163e+00 -1.045583163e+00 4.86 -1.023682187e+00 -1.023682187e+00 4.88 -1.002168492e+00 -1.002168492e+00 4.90 -9.810261888e-01 -9.810261888e-01 4.92 -9.602382259e-01 -9.602382259e-01 4.94 -9.397863265e-01 -9.397863265e-01 4.96 -9.196509401e-01 -9.196509401e-01 4.98 -8.998112719e-01 -8.998112719e-01 5.00 -8.802453834e-01 -8.802453834e-01 5.02 -8.609304295e-01 -8.609304295e-01 5.04 -8.418430543e-01 -8.418430543e-01 5.06 -8.229599936e-01 -8.229599936e-01 5.08 -8.042589356e-01 -8.042589356e-01 5.10 -7.857196181e-01 -7.857196181e-01 5.12 -7.673252301e-01 -7.673252301e-01 5.14 -7.490639376e-01 -7.490639376e-01 5.16 -7.309305726e-01 -7.309305726e-01 5.18 -7.129280775e-01 -7.129280775e-01 5.20 -6.950686818e-01 -6.950686818e-01 5.22 -6.773742514e-01 -6.773742514e-01 5.24 -6.598757993e-01 -6.598757993e-01 5.26 -6.426117794e-01 -6.426117794e-01 5.28 -6.256253481e-01 -6.256253481e-01 5.30 -6.089607860e-01 -6.089607860e-01 5.32 -5.926594941e-01 -5.926594941e-01 5.34 -5.767562919e-01 -5.767562919e-01 5.36 -5.612763246e-01 -5.612763246e-01 5.38 -5.462332889e-01 -5.462332889e-01 5.40 -5.316288173e-01 -5.316288173e-01 5.42 -5.174532674e-01 -5.174532674e-01 5.44 -5.036873887e-01 -5.036873887e-01 5.46 -4.903047158e-01 -4.903047158e-01 5.48 -4.772742083e-01 -4.772742083e-01 5.50 -4.645628785e-01 -4.645628785e-01 5.52 -4.521382020e-01 -4.521382020e-01 5.54 -4.399700924e-01 -4.399700924e-01 5.56 -4.280324801e-01 -4.280324801e-01 5.58 -4.163042911e-01 -4.163042911e-01 5.60 -4.047699759e-01 -4.047699759e-01 5.62 -3.934194246e-01 -3.934194246e-01 5.64 -3.822474372e-01 -3.822474372e-01 5.66 -3.712526670e-01 -3.712526670e-01 5.68 -3.604362443e-01 -3.604362443e-01 5.70 -3.498001525e-01 -3.498001525e-01 5.72 -3.393455292e-01 -3.393455292e-01 5.74 -3.290711200e-01 -3.290711200e-01 5.76 -3.189719905e-01 -3.189719905e-01 5.78 -3.090387185e-01 -3.090387185e-01 5.80 -2.992570439e-01 -2.992570439e-01 5.82 -2.896081310e-01 -2.896081310e-01 5.84 -2.800693019e-01 -2.800693019e-01 5.86 -2.706152884e-01 -2.706152884e-01 5.88 -2.612198163e-01 -2.612198163e-01 5.90 -2.518574957e-01 -2.518574957e-01 5.92 -2.425058838e-01 -2.425058838e-01 5.94 -2.331475754e-01 -2.331475754e-01 5.96 -2.237721747e-01 -2.237721747e-01 5.98 -2.143779995e-01 -2.143779995e-01 6.00 -2.049733970e-01 -2.049733970e-01