# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Sn # implementation = 2026--Park-J-H--Fe-Cu-Sn--LAMMPS--ipr1 # composition = Cu2FeSn # 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 2026-06-16 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 8.086168900e+02 8.086168900e+02 0.86 7.620628341e+02 7.620628341e+02 0.88 7.181279411e+02 7.181279411e+02 0.90 6.766518491e+02 6.766518491e+02 0.92 6.374746027e+02 6.374746027e+02 0.94 6.004344447e+02 6.004344447e+02 0.96 5.653668100e+02 5.653668100e+02 0.98 5.321052680e+02 5.321052680e+02 1.00 5.004848958e+02 5.004848958e+02 1.02 4.703480558e+02 4.703480558e+02 1.04 4.415518987e+02 4.415518987e+02 1.06 4.139762784e+02 4.139762784e+02 1.08 3.875303619e+02 3.875303619e+02 1.10 3.621562514e+02 3.621562514e+02 1.12 3.378284801e+02 3.378284801e+02 1.14 3.145492055e+02 3.145492055e+02 1.16 2.923399825e+02 2.923399825e+02 1.18 2.712317913e+02 2.712317913e+02 1.20 2.512552500e+02 2.512552500e+02 1.22 2.324326313e+02 2.324326313e+02 1.24 2.147726183e+02 2.147726183e+02 1.26 1.982679757e+02 1.982679757e+02 1.28 1.828957168e+02 1.828957168e+02 1.30 1.686190317e+02 1.686190317e+02 1.32 1.553901892e+02 1.553901892e+02 1.34 1.431537453e+02 1.431537453e+02 1.36 1.318495909e+02 1.318495909e+02 1.38 1.214155690e+02 1.214155690e+02 1.40 1.117895534e+02 1.117895534e+02 1.42 1.029109837e+02 1.029109837e+02 1.44 9.472192012e+01 9.472192012e+01 1.46 8.716769984e+01 8.716769984e+01 1.48 8.019728792e+01 8.019728792e+01 1.50 7.376340237e+01 7.376340237e+01 1.52 6.782248260e+01 6.782248260e+01 1.54 6.233455452e+01 6.233455452e+01 1.56 5.726303275e+01 5.726303275e+01 1.58 5.257448903e+01 5.257448903e+01 1.60 4.823840697e+01 4.823840697e+01 1.62 4.422693692e+01 4.422693692e+01 1.64 4.051465915e+01 4.051465915e+01 1.66 3.707836080e+01 3.707836080e+01 1.68 3.389682898e+01 3.389682898e+01 1.70 3.095066116e+01 3.095066116e+01 1.72 2.822209275e+01 2.822209275e+01 1.74 2.569484126e+01 2.569484126e+01 1.76 2.335396597e+01 2.335396597e+01 1.78 2.118574181e+01 2.118574181e+01 1.80 1.917754631e+01 1.917754631e+01 1.82 1.731775823e+01 1.731775823e+01 1.84 1.559566667e+01 1.559566667e+01 1.86 1.400138964e+01 1.400138964e+01 1.88 1.252580090e+01 1.252580090e+01 1.90 1.116046430e+01 1.116046430e+01 1.92 9.897574707e+00 9.897574707e+00 1.94 8.729904791e+00 8.729904791e+00 1.96 7.650757016e+00 7.650757016e+00 1.98 6.653920294e+00 6.653920294e+00 2.00 5.733630734e+00 5.733630734e+00 2.02 4.884536085e+00 4.884536085e+00 2.04 4.101663441e+00 4.101663441e+00 2.06 3.380389896e+00 3.380389896e+00 2.08 2.716415790e+00 2.716415790e+00 2.10 2.105740330e+00 2.105740330e+00 2.12 1.544639305e+00 1.544639305e+00 2.14 1.029644696e+00 1.029644696e+00 2.16 5.575260014e-01 5.575260014e-01 2.18 1.252730898e-01 1.252730898e-01 2.20 -2.699195395e-01 -2.699195395e-01 2.22 -6.306672522e-01 -6.306672522e-01 2.24 -9.594086178e-01 -9.594086178e-01 2.26 -1.258417724e+00 -1.258417724e+00 2.28 -1.529815536e+00 -1.529815536e+00 2.30 -1.775580400e+00 -1.775580400e+00 2.32 -1.997557767e+00 -1.997557767e+00 2.34 -2.197469189e+00 -2.197469189e+00 2.36 -2.376920668e+00 -2.376920668e+00 2.38 -2.537410397e+00 -2.537410397e+00 2.40 -2.680335950e+00 -2.680335950e+00 2.42 -2.807000969e+00 -2.807000969e+00 2.44 -2.918621376e+00 -2.918621376e+00 2.46 -3.016331160e+00 -3.016331160e+00 2.48 -3.101187766e+00 -3.101187766e+00 2.50 -3.174177112e+00 -3.174177112e+00 2.52 -3.236218276e+00 -3.236218276e+00 2.54 -3.288167861e+00 -3.288167861e+00 2.56 -3.330824071e+00 -3.330824071e+00 2.58 -3.364930519e+00 -3.364930519e+00 2.60 -3.391179780e+00 -3.391179780e+00 2.62 -3.410216718e+00 -3.410216718e+00 2.64 -3.422641591e+00 -3.422641591e+00 2.66 -3.429012952e+00 -3.429012952e+00 2.68 -3.429850372e+00 -3.429850372e+00 2.70 -3.425636978e+00 -3.425636978e+00 2.72 -3.416821831e+00 -3.416821831e+00 2.74 -3.403822154e+00 -3.403822154e+00 2.76 -3.387025416e+00 -3.387025416e+00 2.78 -3.366791285e+00 -3.366791285e+00 2.80 -3.343453447e+00 -3.343453447e+00 2.82 -3.317321329e+00 -3.317321329e+00 2.84 -3.288681690e+00 -3.288681690e+00 2.86 -3.257800127e+00 -3.257800127e+00 2.88 -3.224922480e+00 -3.224922480e+00 2.90 -3.190276147e+00 -3.190276147e+00 2.92 -3.154071315e+00 -3.154071315e+00 2.94 -3.116502120e+00 -3.116502120e+00 2.96 -3.077747720e+00 -3.077747720e+00 2.98 -3.037973314e+00 -3.037973314e+00 3.00 -2.997331087e+00 -2.997331087e+00 3.02 -2.955961098e+00 -2.955961098e+00 3.04 -2.913992110e+00 -2.913992110e+00 3.06 -2.871542371e+00 -2.871542371e+00 3.08 -2.828720336e+00 -2.828720336e+00 3.10 -2.785625354e+00 -2.785625354e+00 3.12 -2.742348303e+00 -2.742348303e+00 3.14 -2.698972185e+00 -2.698972185e+00 3.16 -2.655572687e+00 -2.655572687e+00 3.18 -2.612218699e+00 -2.612218699e+00 3.20 -2.568972803e+00 -2.568972803e+00 3.22 -2.525891730e+00 -2.525891730e+00 3.24 -2.483026783e+00 -2.483026783e+00 3.26 -2.440424237e+00 -2.440424237e+00 3.28 -2.398125712e+00 -2.398125712e+00 3.30 -2.356168516e+00 -2.356168516e+00 3.32 -2.314585972e+00 -2.314585972e+00 3.34 -2.273407718e+00 -2.273407718e+00 3.36 -2.232659994e+00 -2.232659994e+00 3.38 -2.192365876e+00 -2.192365876e+00 3.40 -2.152396303e+00 -2.152396303e+00 3.42 -2.110478896e+00 -2.110478896e+00 3.44 -2.051530881e+00 -2.051530881e+00 3.46 -1.953876917e+00 -1.953876917e+00 3.48 -1.912991893e+00 -1.912991893e+00 3.50 -1.877751312e+00 -1.877751312e+00 3.52 -1.843029804e+00 -1.843029804e+00 3.54 -1.808831673e+00 -1.808831673e+00 3.56 -1.775160005e+00 -1.775160005e+00 3.58 -1.742016769e+00 -1.742016769e+00 3.60 -1.709402916e+00 -1.709402916e+00 3.62 -1.677318461e+00 -1.677318461e+00 3.64 -1.645762572e+00 -1.645762572e+00 3.66 -1.614733640e+00 -1.614733640e+00 3.68 -1.584229359e+00 -1.584229359e+00 3.70 -1.554246785e+00 -1.554246785e+00 3.72 -1.524782402e+00 -1.524782402e+00 3.74 -1.495832180e+00 -1.495832180e+00 3.76 -1.467391627e+00 -1.467391627e+00 3.78 -1.439455839e+00 -1.439455839e+00 3.80 -1.412019547e+00 -1.412019547e+00 3.82 -1.385077159e+00 -1.385077159e+00 3.84 -1.358622799e+00 -1.358622799e+00 3.86 -1.332650345e+00 -1.332650345e+00 3.88 -1.307153462e+00 -1.307153462e+00 3.90 -1.282125632e+00 -1.282125632e+00 3.92 -1.255250302e+00 -1.255250302e+00 3.94 -1.196860559e+00 -1.196860559e+00 3.96 -1.023854661e+00 -1.023854661e+00 3.98 -5.965317910e-01 -5.965317910e-01 4.00 -3.588904534e-22 -3.593269475e-22 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00