# 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 = Al2MgW # 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 2.329575223e+02 2.329575223e+02 1.30 2.159268716e+02 2.159268716e+02 1.32 2.001752582e+02 2.001752582e+02 1.34 1.855980019e+02 1.855980019e+02 1.36 1.720990171e+02 1.720990171e+02 1.38 1.595917602e+02 1.595917602e+02 1.40 1.479986938e+02 1.479986938e+02 1.42 1.372491890e+02 1.372491890e+02 1.44 1.272770394e+02 1.272770394e+02 1.46 1.180190014e+02 1.180190014e+02 1.48 1.094153366e+02 1.094153366e+02 1.50 1.014118843e+02 1.014118843e+02 1.52 9.396174073e+01 9.396174073e+01 1.54 8.702508306e+01 8.702508306e+01 1.56 8.056753639e+01 8.056753639e+01 1.58 7.455831338e+01 7.455831338e+01 1.60 6.896879127e+01 6.896879127e+01 1.62 6.377152645e+01 6.377152645e+01 1.64 5.893961189e+01 5.893961189e+01 1.66 5.444691520e+01 5.444691520e+01 1.68 5.026763948e+01 5.026763948e+01 1.70 4.637703547e+01 4.637703547e+01 1.72 4.275248512e+01 4.275248512e+01 1.74 3.937372531e+01 3.937372531e+01 1.76 3.622285944e+01 3.622285944e+01 1.78 3.328571398e+01 3.328571398e+01 1.80 3.055127616e+01 3.055127616e+01 1.82 2.800665801e+01 2.800665801e+01 1.84 2.564004286e+01 2.564004286e+01 1.86 2.344058654e+01 2.344058654e+01 1.88 2.139819917e+01 2.139819917e+01 1.90 1.950331322e+01 1.950331322e+01 1.92 1.774665682e+01 1.774665682e+01 1.94 1.611906909e+01 1.611906909e+01 1.96 1.461141218e+01 1.461141218e+01 1.98 1.321462288e+01 1.321462288e+01 2.00 1.191989995e+01 1.191989995e+01 2.02 1.071895496e+01 1.071895496e+01 2.04 9.604212065e+00 9.604212065e+00 2.06 8.568866647e+00 8.568866647e+00 2.08 7.606798590e+00 7.606798590e+00 2.10 6.712417106e+00 6.712417106e+00 2.12 5.880526253e+00 5.880526253e+00 2.14 5.106262451e+00 5.106262451e+00 2.16 4.385102691e+00 4.385102691e+00 2.18 3.712909965e+00 3.712909965e+00 2.20 3.085979477e+00 3.085979477e+00 2.22 2.501056637e+00 2.501056637e+00 2.24 1.955335613e+00 1.955335613e+00 2.26 1.446466711e+00 1.446466711e+00 2.28 9.722530582e-01 9.722530582e-01 2.30 5.307588142e-01 5.307588142e-01 2.32 1.202798078e-01 1.202798078e-01 2.34 -2.607112613e-01 -2.607112613e-01 2.36 -6.136088562e-01 -6.136088562e-01 2.38 -9.397090040e-01 -9.397090040e-01 2.40 -1.240233243e+00 -1.240233243e+00 2.42 -1.516236072e+00 -1.516236072e+00 2.44 -1.768653540e+00 -1.768653540e+00 2.46 -1.998463269e+00 -1.998463269e+00 2.48 -2.206695361e+00 -2.206695361e+00 2.50 -2.394438011e+00 -2.394438011e+00 2.52 -2.562845196e+00 -2.562845196e+00 2.54 -2.713146311e+00 -2.713146311e+00 2.56 -2.846654660e+00 -2.846654660e+00 2.58 -2.964767019e+00 -2.964767019e+00 2.60 -3.068943659e+00 -3.068943659e+00 2.62 -3.160661447e+00 -3.160661447e+00 2.64 -3.241343867e+00 -3.241343867e+00 2.66 -3.312282286e+00 -3.312282286e+00 2.68 -3.374573036e+00 -3.374573036e+00 2.70 -3.429086199e+00 -3.429086199e+00 2.72 -3.476471611e+00 -3.476471611e+00 2.74 -3.517193685e+00 -3.517193685e+00 2.76 -3.551580213e+00 -3.551580213e+00 2.78 -3.579871099e+00 -3.579871099e+00 2.80 -3.602259060e+00 -3.602259060e+00 2.82 -3.618917329e+00 -3.618917329e+00 2.84 -3.630797184e+00 -3.630797184e+00 2.86 -3.638661365e+00 -3.638661365e+00 2.88 -3.642236978e+00 -3.642236978e+00 2.90 -3.641338755e+00 -3.641338755e+00 2.92 -3.635861180e+00 -3.635861180e+00 2.94 -3.625770519e+00 -3.625770519e+00 2.96 -3.611099006e+00 -3.611099006e+00 2.98 -3.591940774e+00 -3.591940774e+00 3.00 -3.568451121e+00 -3.568451121e+00 3.02 -3.540865275e+00 -3.540865275e+00 3.04 -3.509478484e+00 -3.509478484e+00 3.06 -3.474617410e+00 -3.474617410e+00 3.08 -3.436622773e+00 -3.436622773e+00 3.10 -3.395831850e+00 -3.395831850e+00 3.12 -3.352558649e+00 -3.352558649e+00 3.14 -3.307078000e+00 -3.307078000e+00 3.16 -3.259613887e+00 -3.259613887e+00 3.18 -3.210336483e+00 -3.210336483e+00 3.20 -3.159365238e+00 -3.159365238e+00 3.22 -3.106778282e+00 -3.106778282e+00 3.24 -3.052640587e+00 -3.052640587e+00 3.26 -2.996972863e+00 -2.996972863e+00 3.28 -2.939786300e+00 -2.939786300e+00 3.30 -2.881106765e+00 -2.881106765e+00 3.32 -2.820983505e+00 -2.820983505e+00 3.34 -2.759496553e+00 -2.759496553e+00 3.36 -2.696762506e+00 -2.696762506e+00 3.38 -2.632938391e+00 -2.632938391e+00 3.40 -2.568223122e+00 -2.568223122e+00 3.42 -2.502853375e+00 -2.502853375e+00 3.44 -2.437091419e+00 -2.437091419e+00 3.46 -2.371229127e+00 -2.371229127e+00 3.48 -2.305580218e+00 -2.305580218e+00 3.50 -2.240466854e+00 -2.240466854e+00 3.52 -2.176205479e+00 -2.176205479e+00 3.54 -2.113093090e+00 -2.113093090e+00 3.56 -2.051395183e+00 -2.051395183e+00 3.58 -1.991336388e+00 -1.991336388e+00 3.60 -1.933094414e+00 -1.933094414e+00 3.62 -1.876797487e+00 -1.876797487e+00 3.64 -1.822525034e+00 -1.822525034e+00 3.66 -1.770311063e+00 -1.770311063e+00 3.68 -1.720149497e+00 -1.720149497e+00 3.70 -1.672000669e+00 -1.672000669e+00 3.72 -1.625798277e+00 -1.625798277e+00 3.74 -1.581456195e+00 -1.581456195e+00 3.76 -1.538874724e+00 -1.538874724e+00 3.78 -1.497946020e+00 -1.497946020e+00 3.80 -1.458558569e+00 -1.458558569e+00 3.82 -1.420600680e+00 -1.420600680e+00 3.84 -1.383963059e+00 -1.383963059e+00 3.86 -1.348540549e+00 -1.348540549e+00 3.88 -1.314233173e+00 -1.314233173e+00 3.90 -1.280946617e+00 -1.280946617e+00 3.92 -1.248592171e+00 -1.248592171e+00 3.94 -1.217087102e+00 -1.217087102e+00 3.96 -1.186353457e+00 -1.186353457e+00 3.98 -1.156318338e+00 -1.156318338e+00 4.00 -1.126913449e+00 -1.126913449e+00 4.02 -1.098074919e+00 -1.098074919e+00 4.04 -1.069743284e+00 -1.069743284e+00 4.06 -1.041863653e+00 -1.041863653e+00 4.08 -1.014386095e+00 -1.014386095e+00 4.10 -9.872659367e-01 -9.872659367e-01 4.12 -9.604659381e-01 -9.604659381e-01 4.14 -9.339552695e-01 -9.339552695e-01 4.16 -9.077122037e-01 -9.077122037e-01 4.18 -8.817249890e-01 -8.817249890e-01 4.20 -8.559930074e-01 -8.559930074e-01 4.22 -8.305276283e-01 -8.305276283e-01 4.24 -8.053525335e-01 -8.053525335e-01 4.26 -7.805033011e-01 -7.805033011e-01 4.28 -7.560260864e-01 -7.560260864e-01 4.30 -7.319753373e-01 -7.319753373e-01 4.32 -7.084106155e-01 -7.084106155e-01 4.34 -6.853927475e-01 -6.853927475e-01 4.36 -6.629796553e-01 -6.629796553e-01 4.38 -6.412222945e-01 -6.412222945e-01 4.40 -6.201611294e-01 -6.201611294e-01 4.42 -5.998234955e-01 -5.998234955e-01 4.44 -5.802220597e-01 -5.802220597e-01 4.46 -5.613544264e-01 -5.613544264e-01 4.48 -5.432037812e-01 -5.432037812e-01 4.50 -5.257403523e-01 -5.257403523e-01 4.52 -5.089234147e-01 -5.089234147e-01 4.54 -4.927035589e-01 -4.927035589e-01 4.56 -4.770249892e-01 -4.770249892e-01 4.58 -4.618276771e-01 -4.618276771e-01 4.60 -4.470492707e-01 -4.470492707e-01 4.62 -4.326267212e-01 -4.326267212e-01 4.64 -4.184976399e-01 -4.184976399e-01 4.66 -4.046014325e-01 -4.046014325e-01 4.68 -3.908802769e-01 -3.908802769e-01 4.70 -3.772800130e-01 -3.772800130e-01 4.72 -3.637510131e-01 -3.637510131e-01 4.74 -3.502490822e-01 -3.502490822e-01 4.76 -3.367364246e-01 -3.367364246e-01 4.78 -3.231826829e-01 -3.231826829e-01 4.80 -3.095658507e-01 -3.095658507e-01 4.82 -2.958741419e-01 -2.958741419e-01 4.84 -2.821058142e-01 -2.821058142e-01 4.86 -2.682708586e-01 -2.682708586e-01 4.88 -2.543913180e-01 -2.543913180e-01 4.90 -2.405013881e-01 -2.405013881e-01 4.92 -2.266469559e-01 -2.266469559e-01 4.94 -2.128844895e-01 -2.128844895e-01 4.96 -1.992792459e-01 -1.992792459e-01 4.98 -1.859028365e-01 -1.859028365e-01 5.00 -1.728302668e-01 -1.728302668e-01 5.02 -1.601366501e-01 -1.601366501e-01 5.04 -1.478938388e-01 -1.478938388e-01 5.06 -1.361672453e-01 -1.361672453e-01 5.08 -1.250131092e-01 -1.250131092e-01 5.10 -1.144764153e-01 -1.144764153e-01 5.12 -1.045895916e-01 -1.045895916e-01 5.14 -9.537202410e-02 -9.537202410e-02 5.16 -8.683034178e-02 -8.683034178e-02 5.18 -7.895935495e-02 -7.895935495e-02 5.20 -7.174348517e-02 -7.174348517e-02 5.22 -6.515850865e-02 -6.515850865e-02 5.24 -5.917344038e-02 -5.917344038e-02 5.26 -5.375241160e-02 -5.375241160e-02 5.28 -4.885643017e-02 -4.885643017e-02 5.30 -4.444491436e-02 -4.444491436e-02 5.32 -4.047701880e-02 -4.047701880e-02 5.34 -3.691269014e-02 -3.691269014e-02 5.36 -3.371342548e-02 -3.371342548e-02 5.38 -3.084212756e-02 -3.084212756e-02 5.40 -2.826517027e-02 -2.826517027e-02 5.42 -2.595192918e-02 -2.595192918e-02 5.44 -2.387443389e-02 -2.387443389e-02 5.46 -2.200736383e-02 -2.200736383e-02 5.48 -2.032786927e-02 -2.032786927e-02 5.50 -1.881546500e-02 -1.881546500e-02 5.52 -1.745186766e-02 -1.745186766e-02 5.54 -1.622080307e-02 -1.622080307e-02 5.56 -1.510780342e-02 -1.510780342e-02 5.58 -1.410000811e-02 -1.410000811e-02 5.60 -1.318597754e-02 -1.318597754e-02 5.62 -1.235552479e-02 -1.235552479e-02 5.64 -1.159956733e-02 -1.159956733e-02 5.66 -1.090999850e-02 -1.090999850e-02 5.68 -1.027957695e-02 -1.027957695e-02 5.70 -9.701831780e-03 -9.701831780e-03 5.72 -9.170980474e-03 -9.170980474e-03 5.74 -8.681857395e-03 -8.681857395e-03 5.76 -8.229850533e-03 -8.229850533e-03 5.78 -7.810844984e-03 -7.810844984e-03 5.80 -7.421171928e-03 -7.421171928e-03 5.82 -7.057562319e-03 -7.057562319e-03 5.84 -6.717104752e-03 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