# 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 = Au2PbZr # 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 4.584322355e+02 4.584322355e+02 1.30 4.279767595e+02 4.279767595e+02 1.32 3.996544093e+02 3.996544093e+02 1.34 3.732975077e+02 3.732975077e+02 1.36 3.487535928e+02 3.487535928e+02 1.38 3.258836381e+02 3.258836381e+02 1.40 3.045605586e+02 3.045605586e+02 1.42 2.846685375e+02 2.846685375e+02 1.44 2.661024549e+02 2.661024549e+02 1.46 2.487664321e+02 2.487664321e+02 1.48 2.325718960e+02 2.325718960e+02 1.50 2.174365996e+02 2.174365996e+02 1.52 2.032847059e+02 2.032847059e+02 1.54 1.900467942e+02 1.900467942e+02 1.56 1.776590908e+02 1.776590908e+02 1.58 1.660622372e+02 1.660622372e+02 1.60 1.552005958e+02 1.552005958e+02 1.62 1.450223128e+02 1.450223128e+02 1.64 1.354797294e+02 1.354797294e+02 1.66 1.265294336e+02 1.265294336e+02 1.68 1.181318555e+02 1.181318555e+02 1.70 1.102504793e+02 1.102504793e+02 1.72 1.028511836e+02 1.028511836e+02 1.74 9.590190748e+01 9.590190748e+01 1.76 8.937267737e+01 8.937267737e+01 1.78 8.323572471e+01 8.323572471e+01 1.80 7.746551533e+01 7.746551533e+01 1.82 7.203855554e+01 7.203855554e+01 1.84 6.693321895e+01 6.693321895e+01 1.86 6.212984390e+01 6.212984390e+01 1.88 5.761364387e+01 5.761364387e+01 1.90 5.338537595e+01 5.338537595e+01 1.92 4.943379687e+01 4.943379687e+01 1.94 4.574125784e+01 4.574125784e+01 1.96 4.229076461e+01 4.229076461e+01 1.98 3.906648011e+01 3.906648011e+01 2.00 3.605364079e+01 3.605364079e+01 2.02 3.323847418e+01 3.323847418e+01 2.04 3.060813635e+01 3.060813635e+01 2.06 2.815066245e+01 2.815066245e+01 2.08 2.585492622e+01 2.585492622e+01 2.10 2.371059296e+01 2.371059296e+01 2.12 2.170805065e+01 2.170805065e+01 2.14 1.983833810e+01 1.983833810e+01 2.16 1.809305581e+01 1.809305581e+01 2.18 1.646428895e+01 1.646428895e+01 2.20 1.494456279e+01 1.494456279e+01 2.22 1.352681552e+01 1.352681552e+01 2.24 1.220439313e+01 1.220439313e+01 2.26 1.097105240e+01 1.097105240e+01 2.28 9.820971930e+00 9.820971930e+00 2.30 8.748740065e+00 8.748740065e+00 2.32 7.749355316e+00 7.749355316e+00 2.34 6.818180488e+00 6.818180488e+00 2.36 5.950921013e+00 5.950921013e+00 2.38 5.143590198e+00 5.143590198e+00 2.40 4.392483823e+00 4.392483823e+00 2.42 3.694155437e+00 3.694155437e+00 2.44 3.045397392e+00 3.045397392e+00 2.46 2.443212027e+00 2.443212027e+00 2.48 1.884783557e+00 1.884783557e+00 2.50 1.367449756e+00 1.367449756e+00 2.52 8.886786509e-01 8.886786509e-01 2.54 4.460531847e-01 4.460531847e-01 2.56 3.726429708e-02 3.726429708e-02 2.58 -3.398892441e-01 -3.398892441e-01 2.60 -6.874969921e-01 -6.874969921e-01 2.62 -1.007579783e+00 -1.007579783e+00 2.64 -1.301993594e+00 -1.301993594e+00 2.66 -1.572393562e+00 -1.572393562e+00 2.68 -1.820334658e+00 -1.820334658e+00 2.70 -2.047273150e+00 -2.047273150e+00 2.72 -2.254570755e+00 -2.254570755e+00 2.74 -2.443500381e+00 -2.443500381e+00 2.76 -2.615251523e+00 -2.615251523e+00 2.78 -2.770870622e+00 -2.770870622e+00 2.80 -2.911233202e+00 -2.911233202e+00 2.82 -3.037168103e+00 -3.037168103e+00 2.84 -3.149477299e+00 -3.149477299e+00 2.86 -3.248931559e+00 -3.248931559e+00 2.88 -3.336270035e+00 -3.336270035e+00 2.90 -3.412201310e+00 -3.412201310e+00 2.92 -3.477405455e+00 -3.477405455e+00 2.94 -3.532536699e+00 -3.532536699e+00 2.96 -3.578226372e+00 -3.578226372e+00 2.98 -3.615097427e+00 -3.615097427e+00 3.00 -3.643865378e+00 -3.643865378e+00 3.02 -3.665040666e+00 -3.665040666e+00 3.04 -3.679078185e+00 -3.679078185e+00 3.06 -3.686442319e+00 -3.686442319e+00 3.08 -3.687592743e+00 -3.687592743e+00 3.10 -3.682984284e+00 -3.682984284e+00 3.12 -3.673057714e+00 -3.673057714e+00 3.14 -3.658241975e+00 -3.658241975e+00 3.16 -3.638939888e+00 -3.638939888e+00 3.18 -3.615528980e+00 -3.615528980e+00 3.20 -3.588359451e+00 -3.588359451e+00 3.22 -3.557764287e+00 -3.557764287e+00 3.24 -3.524061984e+00 -3.524061984e+00 3.26 -3.487558810e+00 -3.487558810e+00 3.28 -3.448550634e+00 -3.448550634e+00 3.30 -3.407323573e+00 -3.407323573e+00 3.32 -3.364152928e+00 -3.364152928e+00 3.34 -3.319300354e+00 -3.319300354e+00 3.36 -3.273009951e+00 -3.273009951e+00 3.38 -3.225504421e+00 -3.225504421e+00 3.40 -3.176981424e+00 -3.176981424e+00 3.42 -3.127617322e+00 -3.127617322e+00 3.44 -3.077586244e+00 -3.077586244e+00 3.46 -3.027019358e+00 -3.027019358e+00 3.48 -2.975999873e+00 -2.975999873e+00 3.50 -2.924603674e+00 -2.924603674e+00 3.52 -2.872900992e+00 -2.872900992e+00 3.54 -2.820957539e+00 -2.820957539e+00 3.56 -2.768835150e+00 -2.768835150e+00 3.58 -2.716592051e+00 -2.716592051e+00 3.60 -2.664282763e+00 -2.664282763e+00 3.62 -2.611953774e+00 -2.611953774e+00 3.64 -2.559642570e+00 -2.559642570e+00 3.66 -2.507385355e+00 -2.507385355e+00 3.68 -2.455217791e+00 -2.455217791e+00 3.70 -2.403175498e+00 -2.403175498e+00 3.72 -2.351294769e+00 -2.351294769e+00 3.74 -2.299613439e+00 -2.299613439e+00 3.76 -2.248171838e+00 -2.248171838e+00 3.78 -2.197013706e+00 -2.197013706e+00 3.80 -2.146186934e+00 -2.146186934e+00 3.82 -2.095743915e+00 -2.095743915e+00 3.84 -2.045741292e+00 -2.045741292e+00 3.86 -1.996238922e+00 -1.996238922e+00 3.88 -1.947297990e+00 -1.947297990e+00 3.90 -1.898978424e+00 -1.898978424e+00 3.92 -1.851334307e+00 -1.851334307e+00 3.94 -1.804417848e+00 -1.804417848e+00 3.96 -1.758266445e+00 -1.758266445e+00 3.98 -1.712908994e+00 -1.712908994e+00 4.00 -1.668363761e+00 -1.668363761e+00 4.02 -1.624639264e+00 -1.624639264e+00 4.04 -1.581735868e+00 -1.581735868e+00 4.06 -1.539647760e+00 -1.539647760e+00 4.08 -1.498364988e+00 -1.498364988e+00 4.10 -1.457870656e+00 -1.457870656e+00 4.12 -1.418162181e+00 -1.418162181e+00 4.14 -1.379221665e+00 -1.379221665e+00 4.16 -1.341038681e+00 -1.341038681e+00 4.18 -1.303605253e+00 -1.303605253e+00 4.20 -1.266916371e+00 -1.266916371e+00 4.22 -1.230970267e+00 -1.230970267e+00 4.24 -1.195768449e+00 -1.195768449e+00 4.26 -1.161315456e+00 -1.161315456e+00 4.28 -1.127618346e+00 -1.127618346e+00 4.30 -1.094685899e+00 -1.094685899e+00 4.32 -1.062527598e+00 -1.062527598e+00 4.34 -1.031152450e+00 -1.031152450e+00 4.36 -1.000567765e+00 -1.000567765e+00 4.38 -9.707780162e-01 -9.707780162e-01 4.40 -9.417838954e-01 -9.417838954e-01 4.42 -9.135816595e-01 -9.135816595e-01 4.44 -8.861628180e-01 -8.861628180e-01 4.46 -8.595141591e-01 -8.595141591e-01 4.48 -8.336180751e-01 -8.336180751e-01 4.50 -8.084531118e-01 -8.084531118e-01 4.52 -7.839946602e-01 -7.839946602e-01 4.54 -7.602157048e-01 -7.602157048e-01 4.56 -7.370875638e-01 -7.370875638e-01 4.58 -7.145805721e-01 -7.145805721e-01 4.60 -6.926646840e-01 -6.926646840e-01 4.62 -6.713099867e-01 -6.713099867e-01 4.64 -6.504871356e-01 -6.504871356e-01 4.66 -6.301677251e-01 -6.301677251e-01 4.68 -6.103246179e-01 -6.103246179e-01 4.70 -5.909322518e-01 -5.909322518e-01 4.72 -5.719669432e-01 -5.719669432e-01 4.74 -5.534071973e-01 -5.534071973e-01 4.76 -5.352340311e-01 -5.352340311e-01 4.78 -5.174313060e-01 -5.174313060e-01 4.80 -4.999822533e-01 -4.999822533e-01 4.82 -4.828856206e-01 -4.828856206e-01 4.84 -4.661310948e-01 -4.661310948e-01 4.86 -4.497168043e-01 -4.497168043e-01 4.88 -4.336447760e-01 -4.336447760e-01 4.90 -4.179207921e-01 -4.179207921e-01 4.92 -4.025540484e-01 -4.025540484e-01 4.94 -3.875566022e-01 -3.875566022e-01 4.96 -3.729426146e-01 -3.729426146e-01 4.98 -3.587274199e-01 -3.587274199e-01 5.00 -3.449264764e-01 -3.449264764e-01 5.02 -3.315542750e-01 -3.315542750e-01 5.04 -3.186232924e-01 -3.186232924e-01 5.06 -3.061430768e-01 -3.061430768e-01 5.08 -2.941195411e-01 -2.941195411e-01 5.10 -2.825545152e-01 -2.825545152e-01 5.12 -2.714455833e-01 -2.714455833e-01 5.14 -2.607861959e-01 -2.607861959e-01 5.16 -2.505660258e-01 -2.505660258e-01 5.18 -2.407715119e-01 -2.407715119e-01 5.20 -2.313865285e-01 -2.313865285e-01 5.22 -2.223931152e-01 -2.223931152e-01 5.24 -2.137722110e-01 -2.137722110e-01 5.26 -2.055043435e-01 -2.055043435e-01 5.28 -1.975702443e-01 -1.975702443e-01 5.30 -1.899513699e-01 -1.899513699e-01 5.32 -1.826303189e-01 -1.826303189e-01 5.34 -1.755911448e-01 -1.755911448e-01 5.36 -1.688194927e-01 -1.688194927e-01 5.38 -1.623027472e-01 -1.623027472e-01 5.40 -1.560303151e-01 -1.560303151e-01 5.42 -1.499932933e-01 -1.499932933e-01 5.44 -1.441843118e-01 -1.441843118e-01 5.46 -1.385973092e-01 -1.385973092e-01 5.48 -1.332272400e-01 -1.332272400e-01 5.50 -1.280697327e-01 -1.280697327e-01 5.52 -1.231207250e-01 -1.231207250e-01 5.54 -1.183761075e-01 -1.183761075e-01 5.56 -1.138314037e-01 -1.138314037e-01 5.58 -1.094815127e-01 -1.094815127e-01 5.60 -1.053204499e-01 -1.053204499e-01 5.62 -1.013409381e-01 -1.013409381e-01 5.64 -9.753554680e-02 -9.753554680e-02 5.66 -9.389605964e-02 -9.389605964e-02 5.68 -9.041347113e-02 -9.041347113e-02 5.70 -8.707819135e-02 -8.707819135e-02 5.72 -8.388026525e-02 -8.388026525e-02 5.74 -8.080958803e-02 -8.080958803e-02 5.76 -7.785610275e-02 -7.785610275e-02 5.78 -7.500997188e-02 -7.500997188e-02 5.80 -7.226171871e-02 -7.226171871e-02 5.82 -6.960233831e-02 -6.960233831e-02 5.84 -6.702338029e-02 -6.702338029e-02 5.86 -6.451700699e-02 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