# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Al2PtZr # 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 2024-04-11 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 nan nan 1.28 2.404123883e+02 2.404123883e+02 1.30 2.247363845e+02 2.247363845e+02 1.32 2.100899067e+02 2.100899067e+02 1.34 1.964035273e+02 1.964035273e+02 1.36 1.836168616e+02 1.836168616e+02 1.38 1.716679916e+02 1.716679916e+02 1.40 1.604899713e+02 1.604899713e+02 1.42 1.500157643e+02 1.500157643e+02 1.44 1.401853639e+02 1.401853639e+02 1.46 1.309502690e+02 1.309502690e+02 1.48 1.222733940e+02 1.222733940e+02 1.50 1.141249976e+02 1.141249976e+02 1.52 1.064771711e+02 1.064771711e+02 1.54 9.930032062e+01 9.930032062e+01 1.56 9.256231586e+01 9.256231586e+01 1.58 8.622968243e+01 8.622968243e+01 1.60 8.026958732e+01 8.026958732e+01 1.62 7.465194040e+01 7.465194040e+01 1.64 6.935099553e+01 6.935099553e+01 1.66 6.434606356e+01 6.434606356e+01 1.68 5.962105558e+01 5.962105558e+01 1.70 5.516283231e+01 5.516283231e+01 1.72 5.095936943e+01 5.095936943e+01 1.74 4.699830894e+01 4.699830894e+01 1.76 4.326623938e+01 4.326623938e+01 1.78 3.974906112e+01 3.974906112e+01 1.80 3.643224425e+01 3.643224425e+01 1.82 3.331431993e+01 3.331431993e+01 1.84 3.041915882e+01 3.041915882e+01 1.86 2.773110006e+01 2.773110006e+01 1.88 2.523557162e+01 2.523557162e+01 1.90 2.291790530e+01 2.291790530e+01 1.92 2.076405317e+01 2.076405317e+01 1.94 1.876166883e+01 1.876166883e+01 1.96 1.690009086e+01 1.690009086e+01 1.98 1.517014237e+01 1.517014237e+01 2.00 1.356376315e+01 1.356376315e+01 2.02 1.207358041e+01 1.207358041e+01 2.04 1.069256435e+01 1.069256435e+01 2.06 9.413844451e+00 9.413844451e+00 2.08 8.230683541e+00 8.230683541e+00 2.10 7.136494592e+00 7.136494592e+00 2.12 6.124904001e+00 6.124904001e+00 2.14 5.189789866e+00 5.189789866e+00 2.16 4.325331251e+00 4.325331251e+00 2.18 3.526058200e+00 3.526058200e+00 2.20 2.786907946e+00 2.786907946e+00 2.22 2.103253250e+00 2.103253250e+00 2.24 1.470915847e+00 1.470915847e+00 2.26 8.861602690e-01 8.861602690e-01 2.28 3.456828190e-01 3.456828190e-01 2.30 -1.534267987e-01 -1.534267987e-01 2.32 -6.137266664e-01 -6.137266664e-01 2.34 -1.037473967e+00 -1.037473967e+00 2.36 -1.426695523e+00 -1.426695523e+00 2.38 -1.783250432e+00 -1.783250432e+00 2.40 -2.108887919e+00 -2.108887919e+00 2.42 -2.405299369e+00 -2.405299369e+00 2.44 -2.674151258e+00 -2.674151258e+00 2.46 -2.917112871e+00 -2.917112871e+00 2.48 -3.135866041e+00 -3.135866041e+00 2.50 -3.332103978e+00 -3.332103978e+00 2.52 -3.507522017e+00 -3.507522017e+00 2.54 -3.663804736e+00 -3.663804736e+00 2.56 -3.802612402e+00 -3.802612402e+00 2.58 -3.925578396e+00 -3.925578396e+00 2.60 -4.034323973e+00 -4.034323973e+00 2.62 -4.130297243e+00 -4.130297243e+00 2.64 -4.215775439e+00 -4.215775439e+00 2.66 -4.292197536e+00 -4.292197536e+00 2.68 -4.360221735e+00 -4.360221735e+00 2.70 -4.420392481e+00 -4.420392481e+00 2.72 -4.473143445e+00 -4.473143445e+00 2.74 -4.518813203e+00 -4.518813203e+00 2.76 -4.557628246e+00 -4.557628246e+00 2.78 -4.589689681e+00 -4.589689681e+00 2.80 -4.615092601e+00 -4.615092601e+00 2.82 -4.633937213e+00 -4.633937213e+00 2.84 -4.646341774e+00 -4.646341774e+00 2.86 -4.652446925e+00 -4.652446925e+00 2.88 -4.652423617e+00 -4.652423617e+00 2.90 -4.646482359e+00 -4.646482359e+00 2.92 -4.634882502e+00 -4.634882502e+00 2.94 -4.617939411e+00 -4.617939411e+00 2.96 -4.596026934e+00 -4.596026934e+00 2.98 -4.569572974e+00 -4.569572974e+00 3.00 -4.539047348e+00 -4.539047348e+00 3.02 -4.504943065e+00 -4.504943065e+00 3.04 -4.468177403e+00 -4.468177403e+00 3.06 -4.430024303e+00 -4.430024303e+00 3.08 -4.390554191e+00 -4.390554191e+00 3.10 -4.349794219e+00 -4.349794219e+00 3.12 -4.307766137e+00 -4.307766137e+00 3.14 -4.264489548e+00 -4.264489548e+00 3.16 -4.219973470e+00 -4.219973470e+00 3.18 -4.174224325e+00 -4.174224325e+00 3.20 -4.127246375e+00 -4.127246375e+00 3.22 -4.079044639e+00 -4.079044639e+00 3.24 -4.029636406e+00 -4.029636406e+00 3.26 -3.979057384e+00 -3.979057384e+00 3.28 -3.927350565e+00 -3.927350565e+00 3.30 -3.874568758e+00 -3.874568758e+00 3.32 -3.820776191e+00 -3.820776191e+00 3.34 -3.766047783e+00 -3.766047783e+00 3.36 -3.710466508e+00 -3.710466508e+00 3.38 -3.654119841e+00 -3.654119841e+00 3.40 -3.597095572e+00 -3.597095572e+00 3.42 -3.539483178e+00 -3.539483178e+00 3.44 -3.481367017e+00 -3.481367017e+00 3.46 -3.422830408e+00 -3.422830408e+00 3.48 -3.363954928e+00 -3.363954928e+00 3.50 -3.304820753e+00 -3.304820753e+00 3.52 -3.245506611e+00 -3.245506611e+00 3.54 -3.186089269e+00 -3.186089269e+00 3.56 -3.126642604e+00 -3.126642604e+00 3.58 -3.067238665e+00 -3.067238665e+00 3.60 -3.007966943e+00 -3.007966943e+00 3.62 -2.948919828e+00 -2.948919828e+00 3.64 -2.890176340e+00 -2.890176340e+00 3.66 -2.831801994e+00 -2.831801994e+00 3.68 -2.773849164e+00 -2.773849164e+00 3.70 -2.716357809e+00 -2.716357809e+00 3.72 -2.659356594e+00 -2.659356594e+00 3.74 -2.602864410e+00 -2.602864410e+00 3.76 -2.546892244e+00 -2.546892244e+00 3.78 -2.491445277e+00 -2.491445277e+00 3.80 -2.436525013e+00 -2.436525013e+00 3.82 -2.382131177e+00 -2.382131177e+00 3.84 -2.328263092e+00 -2.328263092e+00 3.86 -2.274920301e+00 -2.274920301e+00 3.88 -2.222102332e+00 -2.222102332e+00 3.90 -2.169807696e+00 -2.169807696e+00 3.92 -2.118031074e+00 -2.118031074e+00 3.94 -2.066767686e+00 -2.066767686e+00 3.96 -2.016003168e+00 -2.016003168e+00 3.98 -1.965720034e+00 -1.965720034e+00 4.00 -1.915896877e+00 -1.915896877e+00 4.02 -1.866510280e+00 -1.866510280e+00 4.04 -1.817537415e+00 -1.817537415e+00 4.06 -1.768959051e+00 -1.768959051e+00 4.08 -1.720762603e+00 -1.720762603e+00 4.10 -1.672941307e+00 -1.672941307e+00 4.12 -1.625511914e+00 -1.625511914e+00 4.14 -1.578492215e+00 -1.578492215e+00 4.16 -1.531918897e+00 -1.531918897e+00 4.18 -1.485842932e+00 -1.485842932e+00 4.20 -1.440328471e+00 -1.440328471e+00 4.22 -1.395450761e+00 -1.395450761e+00 4.24 -1.351293194e+00 -1.351293194e+00 4.26 -1.307943696e+00 -1.307943696e+00 4.28 -1.265490705e+00 -1.265490705e+00 4.30 -1.224019015e+00 -1.224019015e+00 4.32 -1.183605753e+00 -1.183605753e+00 4.34 -1.144316740e+00 -1.144316740e+00 4.36 -1.106203435e+00 -1.106203435e+00 4.38 -1.069300654e+00 -1.069300654e+00 4.40 -1.033625174e+00 -1.033625174e+00 4.42 -9.991753005e-01 -9.991753005e-01 4.44 -9.659313666e-01 -9.659313666e-01 4.46 -9.338570868e-01 -9.338570868e-01 4.48 -9.029015893e-01 -9.029015893e-01 4.50 -8.730019251e-01 -8.730019251e-01 4.52 -8.440858332e-01 -8.440858332e-01 4.54 -8.160745647e-01 -8.160745647e-01 4.56 -7.888856114e-01 -7.888856114e-01 4.58 -7.624352384e-01 -7.624352384e-01 4.60 -7.366407770e-01 -7.366407770e-01 4.62 -7.114226717e-01 -7.114226717e-01 4.64 -6.867063097e-01 -6.867063097e-01 4.66 -6.624236669e-01 -6.624236669e-01 4.68 -6.385148024e-01 -6.385148024e-01 4.70 -6.149292173e-01 -6.149292173e-01 4.72 -5.916270687e-01 -5.916270687e-01 4.74 -5.685802014e-01 -5.685802014e-01 4.76 -5.457729387e-01 -5.457729387e-01 4.78 -5.232025540e-01 -5.232025540e-01 4.80 -5.008762933e-01 -5.008762933e-01 4.82 -4.788236864e-01 -4.788236864e-01 4.84 -4.570757105e-01 -4.570757105e-01 4.86 -4.356772854e-01 -4.356772854e-01 4.88 -4.146816871e-01 -4.146816871e-01 4.90 -3.941482298e-01 -3.941482298e-01 4.92 -3.741396638e-01 -3.741396638e-01 4.94 -3.547194323e-01 -3.547194323e-01 4.96 -3.359489377e-01 -3.359489377e-01 4.98 -3.178849651e-01 -3.178849651e-01 5.00 -3.005773979e-01 -3.005773979e-01 5.02 -2.840673349e-01 -2.840673349e-01 5.04 -2.683856949e-01 -2.683856949e-01 5.06 -2.535523584e-01 -2.535523584e-01 5.08 -2.395758627e-01 -2.395758627e-01 5.10 -2.264536299e-01 -2.264536299e-01 5.12 -2.141726706e-01 -2.141726706e-01 5.14 -2.027106805e-01 -2.027106805e-01 5.16 -1.920374218e-01 -1.920374218e-01 5.18 -1.821162776e-01 -1.821162776e-01 5.20 -1.729058668e-01 -1.729058668e-01 5.22 -1.643616216e-01 -1.643616216e-01 5.24 -1.564372494e-01 -1.564372494e-01 5.26 -1.490860223e-01 -1.490860223e-01 5.28 -1.422618640e-01 -1.422618640e-01 5.30 -1.359202188e-01 -1.359202188e-01 5.32 -1.300187106e-01 -1.300187106e-01 5.34 -1.245176050e-01 -1.245176050e-01 5.36 -1.193800956e-01 -1.193800956e-01 5.38 -1.145722509e-01 -1.145722509e-01 5.40 -1.100634580e-01 -1.100634580e-01 5.42 -1.058262308e-01 -1.058262308e-01 5.44 -1.018358681e-01 -1.018358681e-01 5.46 -9.807028205e-02 -9.807028205e-02 5.48 -9.450978146e-02 -9.450978146e-02 5.50 -9.113682892e-02 -9.113682892e-02 5.52 -8.793578885e-02 -8.793578885e-02 5.54 -8.489269071e-02 -8.489269071e-02 5.56 -8.199499174e-02 -8.199499174e-02 5.58 -7.923136791e-02 -7.923136791e-02 5.60 -7.659153256e-02 -7.659153256e-02 5.62 -7.406614138e-02 -7.406614138e-02 5.64 -7.164709136e-02 -7.164709136e-02 5.66 -6.932614611e-02 -6.932614611e-02 5.68 -6.709556615e-02 -6.709556615e-02 5.70 -6.494825753e-02 -6.494825753e-02 5.72 -6.287767314e-02 -6.287767314e-02 5.74 -6.087773312e-02 -6.087773312e-02 5.76 -5.894276074e-02 -5.894276074e-02 5.78 -5.706743032e-02 -5.706743032e-02 5.80 -5.524672458e-02 -5.524672458e-02 5.82 -5.347589948e-02 -5.347589948e-02 5.84 -5.175045511e-02 -5.175045511e-02 5.86 -5.006611209e-02 -5.006611209e-02 5.88 -4.841879316e-02 -4.841879316e-02 5.90 -4.680461009e-02 -4.680461009e-02 5.92 -4.521985648e-02 -4.521985648e-02 5.94 -4.366100681e-02 -4.366100681e-02 5.96 -4.212472249e-02 -4.212472249e-02 5.98 -4.060786536e-02 -4.060786536e-02 6.00 -3.910752082e-02 -3.910752082e-02