# 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 = AuCoMg2 # 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 3.290485430e+02 3.290485430e+02 1.30 3.043051918e+02 3.043051918e+02 1.32 2.814464173e+02 2.814464173e+02 1.34 2.603184070e+02 2.603184070e+02 1.36 2.407812527e+02 2.407812527e+02 1.38 2.227082635e+02 2.227082635e+02 1.40 2.059844803e+02 2.059844803e+02 1.42 1.905047671e+02 1.905047671e+02 1.44 1.761721038e+02 1.761721038e+02 1.46 1.628964365e+02 1.628964365e+02 1.48 1.505943637e+02 1.505943637e+02 1.50 1.391895212e+02 1.391895212e+02 1.52 1.286128137e+02 1.286128137e+02 1.54 1.188018459e+02 1.188018459e+02 1.56 1.096998538e+02 1.096998538e+02 1.58 1.012546728e+02 1.012546728e+02 1.60 9.341803112e+01 9.341803112e+01 1.62 8.615421912e+01 8.615421912e+01 1.64 7.942739409e+01 7.942739409e+01 1.66 7.319712316e+01 7.319712316e+01 1.68 6.742512941e+01 6.742512941e+01 1.70 6.207664843e+01 6.207664843e+01 1.72 5.712005150e+01 5.712005150e+01 1.74 5.252657160e+01 5.252657160e+01 1.76 4.826991817e+01 4.826991817e+01 1.78 4.432590647e+01 4.432590647e+01 1.80 4.067217342e+01 4.067217342e+01 1.82 3.728797367e+01 3.728797367e+01 1.84 3.415403467e+01 3.415403467e+01 1.86 3.125245920e+01 3.125245920e+01 1.88 2.856663470e+01 2.856663470e+01 1.90 2.608112458e+01 2.608112458e+01 1.92 2.378153357e+01 2.378153357e+01 1.94 2.165436426e+01 2.165436426e+01 1.96 1.968691405e+01 1.968691405e+01 1.98 1.786724775e+01 1.786724775e+01 2.00 1.618424550e+01 1.618424550e+01 2.02 1.462767114e+01 1.462767114e+01 2.04 1.318819531e+01 1.318819531e+01 2.06 1.185734136e+01 1.185734136e+01 2.08 1.062737359e+01 1.062737359e+01 2.10 9.491174711e+00 9.491174711e+00 2.12 8.442142659e+00 8.442142659e+00 2.14 7.474120972e+00 7.474120972e+00 2.16 6.581357789e+00 6.581357789e+00 2.18 5.758481252e+00 5.758481252e+00 2.20 5.000484401e+00 5.000484401e+00 2.22 4.302708554e+00 4.302708554e+00 2.24 3.660827219e+00 3.660827219e+00 2.26 3.070829855e+00 3.070829855e+00 2.28 2.529003584e+00 2.529003584e+00 2.30 2.031917435e+00 2.031917435e+00 2.32 1.576398286e+00 1.576398286e+00 2.34 1.159509411e+00 1.159509411e+00 2.36 7.785256555e-01 7.785256555e-01 2.38 4.309113918e-01 4.309113918e-01 2.40 1.143001921e-01 1.143001921e-01 2.42 -1.735503034e-01 -1.735503034e-01 2.44 -4.347411286e-01 -4.347411286e-01 2.46 -6.711816490e-01 -6.711816490e-01 2.48 -8.846864348e-01 -8.846864348e-01 2.50 -1.076984367e+00 -1.076984367e+00 2.52 -1.249749868e+00 -1.249749868e+00 2.54 -1.404617268e+00 -1.404617268e+00 2.56 -1.542999177e+00 -1.542999177e+00 2.58 -1.666213251e+00 -1.666213251e+00 2.60 -1.775468103e+00 -1.775468103e+00 2.62 -1.871909478e+00 -1.871909478e+00 2.64 -1.956604727e+00 -1.956604727e+00 2.66 -2.030522505e+00 -2.030522505e+00 2.68 -2.094524762e+00 -2.094524762e+00 2.70 -2.149367232e+00 -2.149367232e+00 2.72 -2.195721350e+00 -2.195721350e+00 2.74 -2.234193493e+00 -2.234193493e+00 2.76 -2.265340587e+00 -2.265340587e+00 2.78 -2.289681455e+00 -2.289681455e+00 2.80 -2.307705099e+00 -2.307705099e+00 2.82 -2.319873136e+00 -2.319873136e+00 2.84 -2.326623062e+00 -2.326623062e+00 2.86 -2.328369275e+00 -2.328369275e+00 2.88 -2.325504489e+00 -2.325504489e+00 2.90 -2.318401713e+00 -2.318401713e+00 2.92 -2.307417096e+00 -2.307417096e+00 2.94 -2.292893657e+00 -2.292893657e+00 2.96 -2.275165603e+00 -2.275165603e+00 2.98 -2.254562566e+00 -2.254562566e+00 3.00 -2.231412667e+00 -2.231412667e+00 3.02 -2.206043177e+00 -2.206043177e+00 3.04 -2.178777522e+00 -2.178777522e+00 3.06 -2.149930131e+00 -2.149930131e+00 3.08 -2.119795982e+00 -2.119795982e+00 3.10 -2.088642830e+00 -2.088642830e+00 3.12 -2.056703454e+00 -2.056703454e+00 3.14 -2.024174057e+00 -2.024174057e+00 3.16 -1.991244651e+00 -1.991244651e+00 3.18 -1.958034930e+00 -1.958034930e+00 3.20 -1.924608254e+00 -1.924608254e+00 3.22 -1.891017931e+00 -1.891017931e+00 3.24 -1.857312556e+00 -1.857312556e+00 3.26 -1.823540163e+00 -1.823540163e+00 3.28 -1.789750744e+00 -1.789750744e+00 3.30 -1.755996978e+00 -1.755996978e+00 3.32 -1.722321686e+00 -1.722321686e+00 3.34 -1.688720312e+00 -1.688720312e+00 3.36 -1.655185288e+00 -1.655185288e+00 3.38 -1.621719158e+00 -1.621719158e+00 3.40 -1.588330923e+00 -1.588330923e+00 3.42 -1.555034066e+00 -1.555034066e+00 3.44 -1.521844747e+00 -1.521844747e+00 3.46 -1.488781460e+00 -1.488781460e+00 3.48 -1.455864565e+00 -1.455864565e+00 3.50 -1.423115967e+00 -1.423115967e+00 3.52 -1.390558747e+00 -1.390558747e+00 3.54 -1.358216700e+00 -1.358216700e+00 3.56 -1.326113820e+00 -1.326113820e+00 3.58 -1.294273783e+00 -1.294273783e+00 3.60 -1.262719477e+00 -1.262719477e+00 3.62 -1.231472607e+00 -1.231472607e+00 3.64 -1.200553435e+00 -1.200553435e+00 3.66 -1.169980629e+00 -1.169980629e+00 3.68 -1.139771244e+00 -1.139771244e+00 3.70 -1.109940828e+00 -1.109940828e+00 3.72 -1.080503618e+00 -1.080503618e+00 3.74 -1.051472811e+00 -1.051472811e+00 3.76 -1.022860870e+00 -1.022860870e+00 3.78 -9.946798114e-01 -9.946798114e-01 3.80 -9.669414398e-01 -9.669414398e-01 3.82 -9.396574578e-01 -9.396574578e-01 3.84 -9.128394213e-01 -9.128394213e-01 3.86 -8.864985072e-01 -8.864985072e-01 3.88 -8.606451075e-01 -8.606451075e-01 3.90 -8.352882957e-01 -8.352882957e-01 3.92 -8.104350688e-01 -8.104350688e-01 3.94 -7.860906093e-01 -7.860906093e-01 3.96 -7.622567050e-01 -7.622567050e-01 3.98 -7.389324792e-01 -7.389324792e-01 4.00 -7.161142612e-01 -7.161142612e-01 4.02 -6.937959038e-01 -6.937959038e-01 4.04 -6.719692659e-01 -6.719692659e-01 4.06 -6.506248044e-01 -6.506248044e-01 4.08 -6.297522290e-01 -6.297522290e-01 4.10 -6.093406359e-01 -6.093406359e-01 4.12 -5.893814895e-01 -5.893814895e-01 4.14 -5.698656578e-01 -5.698656578e-01 4.16 -5.507866139e-01 -5.507866139e-01 4.18 -5.321403095e-01 -5.321403095e-01 4.20 -5.139256101e-01 -5.139256101e-01 4.22 -4.961445424e-01 -4.961445424e-01 4.24 -4.788022831e-01 -4.788022831e-01 4.26 -4.619068326e-01 -4.619068326e-01 4.28 -4.454683466e-01 -4.454683466e-01 4.30 -4.294981477e-01 -4.294981477e-01 4.32 -4.140074956e-01 -4.140074956e-01 4.34 -3.990062495e-01 -3.990062495e-01 4.36 -3.845015830e-01 -3.845015830e-01 4.38 -3.704969127e-01 -3.704969127e-01 4.40 -3.569911636e-01 -3.569911636e-01 4.42 -3.439784365e-01 -3.439784365e-01 4.44 -3.314480740e-01 -3.314480740e-01 4.46 -3.193850644e-01 -3.193850644e-01 4.48 -3.077706870e-01 -3.077706870e-01 4.50 -2.965832902e-01 -2.965832902e-01 4.52 -2.857991028e-01 -2.857991028e-01 4.54 -2.753930028e-01 -2.753930028e-01 4.56 -2.653391939e-01 -2.653391939e-01 4.58 -2.556117694e-01 -2.556117694e-01 4.60 -2.461851629e-01 -2.461851629e-01 4.62 -2.370345006e-01 -2.370345006e-01 4.64 -2.281358792e-01 -2.281358792e-01 4.66 -2.194665969e-01 -2.194665969e-01 4.68 -2.110053648e-01 -2.110053648e-01 4.70 -2.027325207e-01 -2.027325207e-01 4.72 -1.946302658e-01 -1.946302658e-01 4.74 -1.866829347e-01 -1.866829347e-01 4.76 -1.788773019e-01 -1.788773019e-01 4.78 -1.712029202e-01 -1.712029202e-01 4.80 -1.636520844e-01 -1.636520844e-01 4.82 -1.562217854e-01 -1.562217854e-01 4.84 -1.489114556e-01 -1.489114556e-01 4.86 -1.417249287e-01 -1.417249287e-01 4.88 -1.346699980e-01 -1.346699980e-01 4.90 -1.277582428e-01 -1.277582428e-01 4.92 -1.210046143e-01 -1.210046143e-01 4.94 -1.144267699e-01 -1.144267699e-01 4.96 -1.080441714e-01 -1.080441714e-01 4.98 -1.018769973e-01 -1.018769973e-01 5.00 -9.594495411e-02 -9.594495411e-02 5.02 -9.026608751e-02 -9.026608751e-02 5.04 -8.485570618e-02 -8.485570618e-02 5.06 -7.972551419e-02 -7.972551419e-02 5.08 -7.488302395e-02 -7.488302395e-02 5.10 -7.033128831e-02 -7.033128831e-02 5.12 -6.606893072e-02 -6.606893072e-02 5.14 -6.209043871e-02 -6.209043871e-02 5.16 -5.838669747e-02 -5.838669747e-02 5.18 -5.494564190e-02 -5.494564190e-02 5.20 -5.175297327e-02 -5.175297327e-02 5.22 -4.879287865e-02 -4.879287865e-02 5.24 -4.604790465e-02 -4.604790465e-02 5.26 -4.350088542e-02 -4.350088542e-02 5.28 -4.113585082e-02 -4.113585082e-02 5.30 -3.893721325e-02 -3.893721325e-02 5.32 -3.689015242e-02 -3.689015242e-02 5.34 -3.498088162e-02 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-1.067801690e-02 -1.067801690e-02 5.88 -1.024608590e-02 -1.024608590e-02 5.90 -9.828969004e-03 -9.828969004e-03 5.92 -9.425228889e-03 -9.425228889e-03 5.94 -9.033548647e-03 -9.033548647e-03 5.96 -8.652726942e-03 -8.652726942e-03 5.98 -8.281674487e-03 -8.281674487e-03 6.00 -7.919412167e-03 -7.919412167e-03