# 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 = CoMg2Ti # 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 3.106383690e+02 3.106383690e+02 1.30 2.873881693e+02 2.873881693e+02 1.32 2.659119233e+02 2.659119233e+02 1.34 2.460639692e+02 2.460639692e+02 1.36 2.277120791e+02 2.277120791e+02 1.38 2.107367982e+02 2.107367982e+02 1.40 1.950297095e+02 1.950297095e+02 1.42 1.804915210e+02 1.804915210e+02 1.44 1.670307984e+02 1.670307984e+02 1.46 1.545634517e+02 1.545634517e+02 1.48 1.430125229e+02 1.430125229e+02 1.50 1.323078075e+02 1.323078075e+02 1.52 1.223851443e+02 1.223851443e+02 1.54 1.131856071e+02 1.131856071e+02 1.56 1.046549762e+02 1.046549762e+02 1.58 9.674345623e+01 9.674345623e+01 1.60 8.940533794e+01 8.940533794e+01 1.62 8.259850581e+01 8.259850581e+01 1.64 7.628400925e+01 7.628400925e+01 1.66 7.042579530e+01 7.042579530e+01 1.68 6.499068665e+01 6.499068665e+01 1.70 5.994692006e+01 5.994692006e+01 1.72 5.526529521e+01 5.526529521e+01 1.74 5.091920016e+01 5.091920016e+01 1.76 4.688433930e+01 4.688433930e+01 1.78 4.313850166e+01 4.313850166e+01 1.80 3.966130110e+01 3.966130110e+01 1.82 3.643395304e+01 3.643395304e+01 1.84 3.343908075e+01 3.343908075e+01 1.86 3.066055624e+01 3.066055624e+01 1.88 2.808334907e+01 2.808334907e+01 1.90 2.569338363e+01 2.569338363e+01 1.92 2.347741315e+01 2.347741315e+01 1.94 2.142294468e+01 2.142294468e+01 1.96 1.951823844e+01 1.951823844e+01 1.98 1.775236511e+01 1.775236511e+01 2.00 1.611525669e+01 1.611525669e+01 2.02 1.459769603e+01 1.459769603e+01 2.04 1.319124151e+01 1.319124151e+01 2.06 1.188812180e+01 1.188812180e+01 2.08 1.068114144e+01 1.068114144e+01 2.10 9.563618861e+00 9.563618861e+00 2.12 8.529347532e+00 8.529347532e+00 2.14 7.572564243e+00 7.572564243e+00 2.16 6.687916715e+00 6.687916715e+00 2.18 5.870425940e+00 5.870425940e+00 2.20 5.115448090e+00 5.115448090e+00 2.22 4.418633831e+00 4.418633831e+00 2.24 3.775894752e+00 3.775894752e+00 2.26 3.183381792e+00 3.183381792e+00 2.28 2.637476112e+00 2.637476112e+00 2.30 2.134795378e+00 2.134795378e+00 2.32 1.672196751e+00 1.672196751e+00 2.34 1.246783837e+00 1.246783837e+00 2.36 8.559001319e-01 8.559001319e-01 2.38 4.971142233e-01 4.971142233e-01 2.40 1.681940862e-01 1.681940862e-01 2.42 -1.329256434e-01 -1.329256434e-01 2.44 -4.082268366e-01 -4.082268366e-01 2.46 -6.594996670e-01 -6.594996670e-01 2.48 -8.884228668e-01 -8.884228668e-01 2.50 -1.096581473e+00 -1.096581473e+00 2.52 -1.285432380e+00 -1.285432380e+00 2.54 -1.456370447e+00 -1.456370447e+00 2.56 -1.610724661e+00 -1.610724661e+00 2.58 -1.749739967e+00 -1.749739967e+00 2.60 -1.874485921e+00 -1.874485921e+00 2.62 -1.985932313e+00 -1.985932313e+00 2.64 -2.084984657e+00 -2.084984657e+00 2.66 -2.172433580e+00 -2.172433580e+00 2.68 -2.249006481e+00 -2.249006481e+00 2.70 -2.315388755e+00 -2.315388755e+00 2.72 -2.372229603e+00 -2.372229603e+00 2.74 -2.420148212e+00 -2.420148212e+00 2.76 -2.459738012e+00 -2.459738012e+00 2.78 -2.491568336e+00 -2.491568336e+00 2.80 -2.516185930e+00 -2.516185930e+00 2.82 -2.534113174e+00 -2.534113174e+00 2.84 -2.545849819e+00 -2.545849819e+00 2.86 -2.551873745e+00 -2.551873745e+00 2.88 -2.552642581e+00 -2.552642581e+00 2.90 -2.548595445e+00 -2.548595445e+00 2.92 -2.540154567e+00 -2.540154567e+00 2.94 -2.527726874e+00 -2.527726874e+00 2.96 -2.511705746e+00 -2.511705746e+00 2.98 -2.492472910e+00 -2.492472910e+00 3.00 -2.470399751e+00 -2.470399751e+00 3.02 -2.445846732e+00 -2.445846732e+00 3.04 -2.419159466e+00 -2.419159466e+00 3.06 -2.390663190e+00 -2.390663190e+00 3.08 -2.360652398e+00 -2.360652398e+00 3.10 -2.329384956e+00 -2.329384956e+00 3.12 -2.297077508e+00 -2.297077508e+00 3.14 -2.263908223e+00 -2.263908223e+00 3.16 -2.230019027e+00 -2.230019027e+00 3.18 -2.195525297e+00 -2.195525297e+00 3.20 -2.160523502e+00 -2.160523502e+00 3.22 -2.125098553e+00 -2.125098553e+00 3.24 -2.089333166e+00 -2.089333166e+00 3.26 -2.053337204e+00 -2.053337204e+00 3.28 -2.017165770e+00 -2.017165770e+00 3.30 -1.980865762e+00 -1.980865762e+00 3.32 -1.944489455e+00 -1.944489455e+00 3.34 -1.908091292e+00 -1.908091292e+00 3.36 -1.871724836e+00 -1.871724836e+00 3.38 -1.835440490e+00 -1.835440490e+00 3.40 -1.799284376e+00 -1.799284376e+00 3.42 -1.763294123e+00 -1.763294123e+00 3.44 -1.727467183e+00 -1.727467183e+00 3.46 -1.691789319e+00 -1.691789319e+00 3.48 -1.656259169e+00 -1.656259169e+00 3.50 -1.620888148e+00 -1.620888148e+00 3.52 -1.585699629e+00 -1.585699629e+00 3.54 -1.550727101e+00 -1.550727101e+00 3.56 -1.516011210e+00 -1.516011210e+00 3.58 -1.481595939e+00 -1.481595939e+00 3.60 -1.447524467e+00 -1.447524467e+00 3.62 -1.413835414e+00 -1.413835414e+00 3.64 -1.380560135e+00 -1.380560135e+00 3.66 -1.347721428e+00 -1.347721428e+00 3.68 -1.315333691e+00 -1.315333691e+00 3.70 -1.283404219e+00 -1.283404219e+00 3.72 -1.251935162e+00 -1.251935162e+00 3.74 -1.220925686e+00 -1.220925686e+00 3.76 -1.190373933e+00 -1.190373933e+00 3.78 -1.160278583e+00 -1.160278583e+00 3.80 -1.130639904e+00 -1.130639904e+00 3.82 -1.101460298e+00 -1.101460298e+00 3.84 -1.072744373e+00 -1.072744373e+00 3.86 -1.044498634e+00 -1.044498634e+00 3.88 -1.016730876e+00 -1.016730876e+00 3.90 -9.894493905e-01 -9.894493905e-01 3.92 -9.626619364e-01 -9.626619364e-01 3.94 -9.363757257e-01 -9.363757257e-01 3.96 -9.105955869e-01 -9.105955869e-01 3.98 -8.853244460e-01 -8.853244460e-01 4.00 -8.605629667e-01 -8.605629667e-01 4.02 -8.363096472e-01 -8.363096472e-01 4.04 -8.125610945e-01 -8.125610945e-01 4.06 -7.893124150e-01 -7.893124150e-01 4.08 -7.665576712e-01 -7.665576712e-01 4.10 -7.442897259e-01 -7.442897259e-01 4.12 -7.225034152e-01 -7.225034152e-01 4.14 -7.011917720e-01 -7.011917720e-01 4.16 -6.803494711e-01 -6.803494711e-01 4.18 -6.599724185e-01 -6.599724185e-01 4.20 -6.400580570e-01 -6.400580570e-01 4.22 -6.206055422e-01 -6.206055422e-01 4.24 -6.016157442e-01 -6.016157442e-01 4.26 -5.830910360e-01 -5.830910360e-01 4.28 -5.650348545e-01 -5.650348545e-01 4.30 -5.474510564e-01 -5.474510564e-01 4.32 -5.303431325e-01 -5.303431325e-01 4.34 -5.137133815e-01 -5.137133815e-01 4.36 -4.975621583e-01 -4.975621583e-01 4.38 -4.818873031e-01 -4.818873031e-01 4.40 -4.666838236e-01 -4.666838236e-01 4.42 -4.519438495e-01 -4.519438495e-01 4.44 -4.376568337e-01 -4.376568337e-01 4.46 -4.238099335e-01 -4.238099335e-01 4.48 -4.103884939e-01 -4.103884939e-01 4.50 -3.973765541e-01 -3.973765541e-01 4.52 -3.847573202e-01 -3.847573202e-01 4.54 -3.725135642e-01 -3.725135642e-01 4.56 -3.606279371e-01 -3.606279371e-01 4.58 -3.490831967e-01 -3.490831967e-01 4.60 -3.378623658e-01 -3.378623658e-01 4.62 -3.269488389e-01 -3.269488389e-01 4.64 -3.163264600e-01 -3.163264600e-01 4.66 -3.059795906e-01 -3.059795906e-01 4.68 -2.958931857e-01 -2.958931857e-01 4.70 -2.860528919e-01 -2.860528919e-01 4.72 -2.764451775e-01 -2.764451775e-01 4.74 -2.670575005e-01 -2.670575005e-01 4.76 -2.578785165e-01 -2.578785165e-01 4.78 -2.488983215e-01 -2.488983215e-01 4.80 -2.401083073e-01 -2.401083073e-01 4.82 -2.315031585e-01 -2.315031585e-01 4.84 -2.230784044e-01 -2.230784044e-01 4.86 -2.148325155e-01 -2.148325155e-01 4.88 -2.067665190e-01 -2.067665190e-01 4.90 -1.988839851e-01 -1.988839851e-01 4.92 -1.911908556e-01 -1.911908556e-01 4.94 -1.836950957e-01 -1.836950957e-01 4.96 -1.764061697e-01 -1.764061697e-01 4.98 -1.693343672e-01 -1.693343672e-01 5.00 -1.624900285e-01 -1.624900285e-01 5.02 -1.558827376e-01 -1.558827376e-01 5.04 -1.495205576e-01 -1.495205576e-01 5.06 -1.434093823e-01 -1.434093823e-01 5.08 -1.375524626e-01 -1.375524626e-01 5.10 -1.319501408e-01 -1.319501408e-01 5.12 -1.265998009e-01 -1.265998009e-01 5.14 -1.214960189e-01 -1.214960189e-01 5.16 -1.166308739e-01 -1.166308739e-01 5.18 -1.119943727e-01 -1.119943727e-01 5.20 -1.075749364e-01 -1.075749364e-01 5.22 -1.033599012e-01 -1.033599012e-01 5.24 -9.933599396e-02 -9.933599396e-02 5.26 -9.548975686e-02 -9.548975686e-02 5.28 -9.180790377e-02 -9.180790377e-02 5.30 -8.827760213e-02 -8.827760213e-02 5.32 -8.488668163e-02 -8.488668163e-02 5.34 -8.162377512e-02 -8.162377512e-02 5.36 -7.847840041e-02 -7.847840041e-02 5.38 -7.544099204e-02 -7.544099204e-02 5.40 -7.250289262e-02 -7.250289262e-02 5.42 -6.965631269e-02 -6.965631269e-02 5.44 -6.689426799e-02 -6.689426799e-02 5.46 -6.421050267e-02 -6.421050267e-02 5.48 -6.159940747e-02 -6.159940747e-02 5.50 -5.905594164e-02 -5.905594164e-02 5.52 -5.657556740e-02 -5.657556740e-02 5.54 -5.415420456e-02 -5.415420456e-02 5.56 -5.178821243e-02 -5.178821243e-02 5.58 -4.947439877e-02 -4.947439877e-02 5.60 -4.721005203e-02 -4.721005203e-02 5.62 -4.499300644e-02 -4.499300644e-02 5.64 -4.282171829e-02 -4.282171829e-02 5.66 -4.069534578e-02 -4.069534578e-02 5.68 -3.861381899e-02 -3.861381899e-02 5.70 -3.657788563e-02 -3.657788563e-02 5.72 -3.458911953e-02 -3.458911953e-02 5.74 -3.264988091e-02 -3.264988091e-02 5.76 -3.076319548e-02 -3.076319548e-02 5.78 -2.893231464e-02 -2.893231464e-02 5.80 -2.716063769e-02 -2.716063769e-02 5.82 -2.545255951e-02 -2.545255951e-02 5.84 -2.381231786e-02 -2.381231786e-02 5.86 -2.224370667e-02 -2.224370667e-02 5.88 -2.074984808e-02 -2.074984808e-02 5.90 -1.933300881e-02 -1.933300881e-02 5.92 -1.799447507e-02 -1.799447507e-02 5.94 -1.673449312e-02 -1.673449312e-02 5.96 -1.555227577e-02 -1.555227577e-02 5.98 -1.444606818e-02 -1.444606818e-02 6.00 -1.341326196e-02 -1.341326196e-02