# 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 = Au2WZr # 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 4.454136324e+02 4.454136324e+02 1.30 4.140161439e+02 4.140161439e+02 1.32 3.848971427e+02 3.848971427e+02 1.34 3.578732209e+02 3.578732209e+02 1.36 3.327812308e+02 3.327812308e+02 1.38 3.094758210e+02 3.094758210e+02 1.40 2.878259352e+02 2.878259352e+02 1.42 2.677110457e+02 2.677110457e+02 1.44 2.490183948e+02 2.490183948e+02 1.46 2.316412436e+02 2.316412436e+02 1.48 2.154782441e+02 2.154782441e+02 1.50 2.004343768e+02 2.004343768e+02 1.52 1.864226992e+02 1.864226992e+02 1.54 1.733650919e+02 1.733650919e+02 1.56 1.611915124e+02 1.611915124e+02 1.58 1.498382014e+02 1.498382014e+02 1.60 1.392460648e+02 1.392460648e+02 1.62 1.293596986e+02 1.293596986e+02 1.64 1.201271194e+02 1.201271194e+02 1.66 1.114997514e+02 1.114997514e+02 1.68 1.034325932e+02 1.034325932e+02 1.70 9.588444633e+01 9.588444633e+01 1.72 8.881807622e+01 8.881807622e+01 1.74 8.220024769e+01 8.220024769e+01 1.76 7.600161673e+01 7.600161673e+01 1.78 7.019641190e+01 7.019641190e+01 1.80 6.476186848e+01 6.476186848e+01 1.82 5.967740474e+01 5.967740474e+01 1.84 5.492386765e+01 5.492386765e+01 1.86 5.048293267e+01 5.048293267e+01 1.88 4.633668886e+01 4.633668886e+01 1.90 4.246739638e+01 4.246739638e+01 1.92 3.885792587e+01 3.885792587e+01 1.94 3.549178680e+01 3.549178680e+01 1.96 3.236004247e+01 3.236004247e+01 1.98 2.945972016e+01 2.945972016e+01 2.00 2.677312326e+01 2.677312326e+01 2.02 2.428350944e+01 2.428350944e+01 2.04 2.197548080e+01 2.197548080e+01 2.06 1.983495464e+01 1.983495464e+01 2.08 1.784906777e+01 1.784906777e+01 2.10 1.600607408e+01 1.600607408e+01 2.12 1.429520323e+01 1.429520323e+01 2.14 1.270656311e+01 1.270656311e+01 2.16 1.123105539e+01 1.123105539e+01 2.18 9.860319257e+00 9.860319257e+00 2.20 8.586706256e+00 8.586706256e+00 2.22 7.403247693e+00 7.403247693e+00 2.24 6.303617685e+00 6.303617685e+00 2.26 5.282085858e+00 5.282085858e+00 2.28 4.333449955e+00 4.333449955e+00 2.30 3.452990284e+00 3.452990284e+00 2.32 2.636402378e+00 2.636402378e+00 2.34 1.879719305e+00 1.879719305e+00 2.36 1.179263090e+00 1.179263090e+00 2.38 5.315899664e-01 5.315899664e-01 2.40 -6.654817831e-02 -6.654817831e-02 2.42 -6.182329450e-01 -6.182329450e-01 2.44 -1.126388860e+00 -1.126388860e+00 2.46 -1.593788834e+00 -1.593788834e+00 2.48 -2.023048072e+00 -2.023048072e+00 2.50 -2.416619162e+00 -2.416619162e+00 2.52 -2.776795552e+00 -2.776795552e+00 2.54 -3.105726280e+00 -3.105726280e+00 2.56 -3.405436401e+00 -3.405436401e+00 2.58 -3.677776408e+00 -3.677776408e+00 2.60 -3.924582206e+00 -3.924582206e+00 2.62 -4.147650741e+00 -4.147650741e+00 2.64 -4.348650436e+00 -4.348650436e+00 2.66 -4.529116074e+00 -4.529116074e+00 2.68 -4.690514005e+00 -4.690514005e+00 2.70 -4.834080326e+00 -4.834080326e+00 2.72 -4.960889293e+00 -4.960889293e+00 2.74 -5.071916247e+00 -5.071916247e+00 2.76 -5.167906630e+00 -5.167906630e+00 2.78 -5.249543062e+00 -5.249543062e+00 2.80 -5.317528462e+00 -5.317528462e+00 2.82 -5.372471331e+00 -5.372471331e+00 2.84 -5.414788482e+00 -5.414788482e+00 2.86 -5.444911211e+00 -5.444911211e+00 2.88 -5.463308894e+00 -5.463308894e+00 2.90 -5.470484886e+00 -5.470484886e+00 2.92 -5.466976568e+00 -5.466976568e+00 2.94 -5.453357754e+00 -5.453357754e+00 2.96 -5.430241378e+00 -5.430241378e+00 2.98 -5.398280327e+00 -5.398280327e+00 3.00 -5.358164616e+00 -5.358164616e+00 3.02 -5.310613802e+00 -5.310613802e+00 3.04 -5.256361584e+00 -5.256361584e+00 3.06 -5.196198998e+00 -5.196198998e+00 3.08 -5.130945665e+00 -5.130945665e+00 3.10 -5.061156217e+00 -5.061156217e+00 3.12 -4.987340484e+00 -4.987340484e+00 3.14 -4.909974047e+00 -4.909974047e+00 3.16 -4.829480477e+00 -4.829480477e+00 3.18 -4.746231876e+00 -4.746231876e+00 3.20 -4.660547485e+00 -4.660547485e+00 3.22 -4.572697490e+00 -4.572697490e+00 3.24 -4.482899803e+00 -4.482899803e+00 3.26 -4.391334443e+00 -4.391334443e+00 3.28 -4.298167038e+00 -4.298167038e+00 3.30 -4.203561260e+00 -4.203561260e+00 3.32 -4.107689017e+00 -4.107689017e+00 3.34 -4.010737749e+00 -4.010737749e+00 3.36 -3.912914576e+00 -3.912914576e+00 3.38 -3.814447783e+00 -3.814447783e+00 3.40 -3.715585394e+00 -3.715585394e+00 3.42 -3.616597985e+00 -3.616597985e+00 3.44 -3.517768726e+00 -3.517768726e+00 3.46 -3.419394168e+00 -3.419394168e+00 3.48 -3.321776900e+00 -3.321776900e+00 3.50 -3.225217843e+00 -3.225217843e+00 3.52 -3.130007291e+00 -3.130007291e+00 3.54 -3.036415506e+00 -3.036415506e+00 3.56 -2.944683901e+00 -2.944683901e+00 3.58 -2.855017759e+00 -2.855017759e+00 3.60 -2.767581215e+00 -2.767581215e+00 3.62 -2.682494866e+00 -2.682494866e+00 3.64 -2.599836031e+00 -2.599836031e+00 3.66 -2.519641364e+00 -2.519641364e+00 3.68 -2.441911349e+00 -2.441911349e+00 3.70 -2.366616133e+00 -2.366616133e+00 3.72 -2.293702114e+00 -2.293702114e+00 3.74 -2.223098803e+00 -2.223098803e+00 3.76 -2.154725505e+00 -2.154725505e+00 3.78 -2.088497453e+00 -2.088497453e+00 3.80 -2.024331032e+00 -2.024331032e+00 3.82 -1.962147788e+00 -1.962147788e+00 3.84 -1.901876955e+00 -1.901876955e+00 3.86 -1.843456358e+00 -1.843456358e+00 3.88 -1.786831710e+00 -1.786831710e+00 3.90 -1.731954601e+00 -1.731954601e+00 3.92 -1.678777763e+00 -1.678777763e+00 3.94 -1.627260168e+00 -1.627260168e+00 3.96 -1.577351768e+00 -1.577351768e+00 3.98 -1.529000953e+00 -1.529000953e+00 4.00 -1.482151709e+00 -1.482151709e+00 4.02 -1.436744197e+00 -1.436744197e+00 4.04 -1.392716088e+00 -1.392716088e+00 4.06 -1.350004265e+00 -1.350004265e+00 4.08 -1.308546595e+00 -1.308546595e+00 4.10 -1.268279503e+00 -1.268279503e+00 4.12 -1.229156202e+00 -1.229156202e+00 4.14 -1.191121016e+00 -1.191121016e+00 4.16 -1.154128866e+00 -1.154128866e+00 4.18 -1.118140706e+00 -1.118140706e+00 4.20 -1.083123707e+00 -1.083123707e+00 4.22 -1.049051214e+00 -1.049051214e+00 4.24 -1.015902447e+00 -1.015902447e+00 4.26 -9.836619582e-01 -9.836619582e-01 4.28 -9.523188074e-01 -9.523188074e-01 4.30 -9.218654840e-01 -9.218654840e-01 4.32 -8.922966176e-01 -8.922966176e-01 4.34 -8.636075598e-01 -8.636075598e-01 4.36 -8.357929532e-01 -8.357929532e-01 4.38 -8.088454166e-01 -8.088454166e-01 4.40 -7.827544691e-01 -7.827544691e-01 4.42 -7.575057837e-01 -7.575057837e-01 4.44 -7.330808178e-01 -7.330808178e-01 4.46 -7.094568143e-01 -7.094568143e-01 4.48 -6.866071248e-01 -6.866071248e-01 4.50 -6.645017735e-01 -6.645017735e-01 4.52 -6.431081700e-01 -6.431081700e-01 4.54 -6.223918825e-01 -6.223918825e-01 4.56 -6.023173984e-01 -6.023173984e-01 4.58 -5.828488238e-01 -5.828488238e-01 4.60 -5.639504944e-01 -5.639504944e-01 4.62 -5.455874926e-01 -5.455874926e-01 4.64 -5.277260771e-01 -5.277260771e-01 4.66 -5.103340459e-01 -5.103340459e-01 4.68 -4.933810525e-01 -4.933810525e-01 4.70 -4.768388968e-01 -4.768388968e-01 4.72 -4.606818117e-01 -4.606818117e-01 4.74 -4.448867535e-01 -4.448867535e-01 4.76 -4.294337055e-01 -4.294337055e-01 4.78 -4.143059867e-01 -4.143059867e-01 4.80 -3.994874308e-01 -3.994874308e-01 4.82 -3.849756810e-01 -3.849756810e-01 4.84 -3.707619804e-01 -3.707619804e-01 4.86 -3.568455639e-01 -3.568455639e-01 4.88 -3.432298651e-01 -3.432298651e-01 4.90 -3.299223085e-01 -3.299223085e-01 4.92 -3.169338965e-01 -3.169338965e-01 4.94 -3.042785752e-01 -3.042785752e-01 4.96 -2.919723919e-01 -2.919723919e-01 4.98 -2.800324751e-01 -2.800324751e-01 5.00 -2.684758999e-01 -2.684758999e-01 5.02 -2.573185154e-01 -2.573185154e-01 5.04 -2.465738279e-01 -2.465738279e-01 5.06 -2.362520281e-01 -2.362520281e-01 5.08 -2.263592408e-01 -2.263592408e-01 5.10 -2.168970513e-01 -2.168970513e-01 5.12 -2.078623307e-01 -2.078623307e-01 5.14 -1.992473552e-01 -1.992473552e-01 5.16 -1.910401858e-01 -1.910401858e-01 5.18 -1.832252526e-01 -1.832252526e-01 5.20 -1.757840673e-01 -1.757840673e-01 5.22 -1.686958555e-01 -1.686958555e-01 5.24 -1.619388685e-01 -1.619388685e-01 5.26 -1.554909227e-01 -1.554909227e-01 5.28 -1.493300345e-01 -1.493300345e-01 5.30 -1.434350858e-01 -1.434350858e-01 5.32 -1.377863772e-01 -1.377863772e-01 5.34 -1.323660613e-01 -1.323660613e-01 5.36 -1.271584526e-01 -1.271584526e-01 5.38 -1.221502118e-01 -1.221502118e-01 5.40 -1.173304045e-01 -1.173304045e-01 5.42 -1.126904370e-01 -1.126904370e-01 5.44 -1.082238747e-01 -1.082238747e-01 5.46 -1.039261557e-01 -1.039261557e-01 5.48 -9.979421791e-02 -9.979421791e-02 5.50 -9.582606612e-02 -9.582606612e-02 5.52 -9.202031211e-02 -9.202031211e-02 5.54 -8.837572355e-02 -8.837572355e-02 5.56 -8.489081623e-02 -8.489081623e-02 5.58 -8.156351938e-02 -8.156351938e-02 5.60 -7.839090870e-02 -7.839090870e-02 5.62 -7.536896775e-02 -7.536896775e-02 5.64 -7.249290441e-02 -7.249290441e-02 5.66 -6.975697879e-02 -6.975697879e-02 5.68 -6.715457653e-02 -6.715457653e-02 5.70 -6.467838063e-02 -6.467838063e-02 5.72 -6.232056490e-02 -6.232056490e-02 5.74 -6.007298927e-02 -6.007298927e-02 5.76 -5.792738172e-02 -5.792738172e-02 5.78 -5.587549677e-02 -5.587549677e-02 5.80 -5.390924527e-02 -5.390924527e-02 5.82 -5.202079432e-02 -5.202079432e-02 5.84 -5.020263896e-02 -5.020263896e-02 5.86 -4.844764942e-02 -4.844764942e-02 5.88 -4.674909855e-02 -4.674909855e-02 5.90 -4.510067473e-02 -4.510067473e-02 5.92 -4.349648498e-02 -4.349648498e-02 5.94 -4.193105303e-02 -4.193105303e-02 5.96 -4.039931628e-02 -4.039931628e-02 5.98 -3.889662486e-02 -3.889662486e-02 6.00 -3.741874544e-02 -3.741874544e-02