# 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 = CuFeSn2 # 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 7.208630593e+02 7.208630593e+02 0.86 6.783308281e+02 6.783308281e+02 0.88 6.381986552e+02 6.381986552e+02 0.90 6.003343873e+02 6.003343873e+02 0.92 5.646130606e+02 5.646130606e+02 0.94 5.309165115e+02 5.309165115e+02 0.96 4.991330076e+02 4.991330076e+02 0.98 4.691568971e+02 4.691568971e+02 1.00 4.408882707e+02 4.408882707e+02 1.02 4.142326283e+02 4.142326283e+02 1.04 3.891005363e+02 3.891005363e+02 1.06 3.654072601e+02 3.654072601e+02 1.08 3.430723618e+02 3.430723618e+02 1.10 3.220192788e+02 3.220192788e+02 1.12 3.021749309e+02 3.021749309e+02 1.14 2.834694461e+02 2.834694461e+02 1.16 2.658361108e+02 2.658361108e+02 1.18 2.492116261e+02 2.492116261e+02 1.20 2.335366786e+02 2.335366786e+02 1.22 2.187567278e+02 2.187567278e+02 1.24 2.048228087e+02 2.048228087e+02 1.26 1.916920838e+02 1.916920838e+02 1.28 1.793278877e+02 1.793278877e+02 1.30 1.676990997e+02 1.676990997e+02 1.32 1.567788256e+02 1.567788256e+02 1.34 1.465425506e+02 1.465425506e+02 1.36 1.369660727e+02 1.369660727e+02 1.38 1.280235999e+02 1.280235999e+02 1.40 1.196863715e+02 1.196863715e+02 1.42 1.119220356e+02 1.119220356e+02 1.44 1.046948395e+02 1.046948395e+02 1.46 9.796650756e+01 9.796650756e+01 1.48 9.169755666e+01 9.169755666e+01 1.50 8.584875511e+01 8.584875511e+01 1.52 8.038246477e+01 8.038246477e+01 1.54 7.526368891e+01 7.526368891e+01 1.56 7.046074625e+01 7.046074625e+01 1.58 6.594557569e+01 6.594557569e+01 1.60 6.169373167e+01 6.169373167e+01 1.62 5.768415589e+01 5.768415589e+01 1.64 5.389881232e+01 5.389881232e+01 1.66 5.032226008e+01 5.032226008e+01 1.68 4.694121925e+01 4.694121925e+01 1.70 4.374416575e+01 4.374416575e+01 1.72 4.072097535e+01 4.072097535e+01 1.74 3.786262433e+01 3.786262433e+01 1.76 3.516094686e+01 3.516094686e+01 1.78 3.260844417e+01 3.260844417e+01 1.80 3.019813834e+01 3.019813834e+01 1.82 2.792346308e+01 2.792346308e+01 1.84 2.577818396e+01 2.577818396e+01 1.86 2.375634162e+01 2.375634162e+01 1.88 2.185221226e+01 2.185221226e+01 1.90 2.006028100e+01 2.006028100e+01 1.92 1.837522436e+01 1.837522436e+01 1.94 1.679189932e+01 1.679189932e+01 1.96 1.530533661e+01 1.530533661e+01 1.98 1.391073688e+01 1.391073688e+01 2.00 1.260346850e+01 1.260346850e+01 2.02 1.137906635e+01 1.137906635e+01 2.04 1.023323082e+01 1.023323082e+01 2.06 9.161826939e+00 9.161826939e+00 2.08 8.160883167e+00 8.160883167e+00 2.10 7.226589858e+00 7.226589858e+00 2.12 6.355297289e+00 6.355297289e+00 2.14 5.543513243e+00 5.543513243e+00 2.16 4.787900153e+00 4.787900153e+00 2.18 4.085271854e+00 4.085271854e+00 2.20 3.432589982e+00 3.432589982e+00 2.22 2.826960067e+00 2.826960067e+00 2.24 2.265627386e+00 2.265627386e+00 2.26 1.745972603e+00 1.745972603e+00 2.28 1.265507277e+00 1.265507277e+00 2.30 8.218692530e-01 8.218692530e-01 2.32 4.128179934e-01 4.128179934e-01 2.34 3.622988360e-02 3.622988360e-02 2.36 -3.099064617e-01 -3.099064617e-01 2.38 -6.274948571e-01 -6.274948571e-01 2.40 -9.183381351e-01 -9.183381351e-01 2.42 -1.184230270e+00 -1.184230270e+00 2.44 -1.427002227e+00 -1.427002227e+00 2.46 -1.647577289e+00 -1.647577289e+00 2.48 -1.847508544e+00 -1.847508544e+00 2.50 -2.028308838e+00 -2.028308838e+00 2.52 -2.191252728e+00 -2.191252728e+00 2.54 -2.337541220e+00 -2.337541220e+00 2.56 -2.468305470e+00 -2.468305470e+00 2.58 -2.584610329e+00 -2.584610329e+00 2.60 -2.687457765e+00 -2.687457765e+00 2.62 -2.777790135e+00 -2.777790135e+00 2.64 -2.856493326e+00 -2.856493326e+00 2.66 -2.924399752e+00 -2.924399752e+00 2.68 -2.982291227e+00 -2.982291227e+00 2.70 -3.030901706e+00 -3.030901706e+00 2.72 -3.070919889e+00 -3.070919889e+00 2.74 -3.102991718e+00 -3.102991718e+00 2.76 -3.127722743e+00 -3.127722743e+00 2.78 -3.145680377e+00 -3.145680377e+00 2.80 -3.157396037e+00 -3.157396037e+00 2.82 -3.163367181e+00 -3.163367181e+00 2.84 -3.164059241e+00 -3.164059241e+00 2.86 -3.159907454e+00 -3.159907454e+00 2.88 -3.151318604e+00 -3.151318604e+00 2.90 -3.138672668e+00 -3.138672668e+00 2.92 -3.122324376e+00 -3.122324376e+00 2.94 -3.102604693e+00 -3.102604693e+00 2.96 -3.079822212e+00 -3.079822212e+00 2.98 -3.054264483e+00 -3.054264483e+00 3.00 -3.026199262e+00 -3.026199262e+00 3.02 -2.995875693e+00 -2.995875693e+00 3.04 -2.963525430e+00 -2.963525430e+00 3.06 -2.929363685e+00 -2.929363685e+00 3.08 -2.893590235e+00 -2.893590235e+00 3.10 -2.856390355e+00 -2.856390355e+00 3.12 -2.817935710e+00 -2.817935710e+00 3.14 -2.778385192e+00 -2.778385192e+00 3.16 -2.737885707e+00 -2.737885707e+00 3.18 -2.696572926e+00 -2.696572926e+00 3.20 -2.654571982e+00 -2.654571982e+00 3.22 -2.611998130e+00 -2.611998130e+00 3.24 -2.568957375e+00 -2.568957375e+00 3.26 -2.525547055e+00 -2.525547055e+00 3.28 -2.481856393e+00 -2.481856393e+00 3.30 -2.437967020e+00 -2.437967020e+00 3.32 -2.393953461e+00 -2.393953461e+00 3.34 -2.349883597e+00 -2.349883597e+00 3.36 -2.305819098e+00 -2.305819098e+00 3.38 -2.261815684e+00 -2.261815684e+00 3.40 -2.216956613e+00 -2.216956613e+00 3.42 -2.161730912e+00 -2.161730912e+00 3.44 -2.072827449e+00 -2.072827449e+00 3.46 -1.949019669e+00 -1.949019669e+00 3.48 -1.900275689e+00 -1.900275689e+00 3.50 -1.857631485e+00 -1.857631485e+00 3.52 -1.815348684e+00 -1.815348684e+00 3.54 -1.773443618e+00 -1.773443618e+00 3.56 -1.731930313e+00 -1.731930313e+00 3.58 -1.690820733e+00 -1.690820733e+00 3.60 -1.650125005e+00 -1.650125005e+00 3.62 -1.609851649e+00 -1.609851649e+00 3.64 -1.570007798e+00 -1.570007798e+00 3.66 -1.530599421e+00 -1.530599421e+00 3.68 -1.491631538e+00 -1.491631538e+00 3.70 -1.453108438e+00 -1.453108438e+00 3.72 -1.415033894e+00 -1.415033894e+00 3.74 -1.377411378e+00 -1.377411378e+00 3.76 -1.340244274e+00 -1.340244274e+00 3.78 -1.303536089e+00 -1.303536089e+00 3.80 -1.267290661e+00 -1.267290661e+00 3.82 -1.231512365e+00 -1.231512365e+00 3.84 -1.196206307e+00 -1.196206307e+00 3.86 -1.161378516e+00 -1.161378516e+00 3.88 -1.127036116e+00 -1.127036116e+00 3.90 -1.093187485e+00 -1.093187485e+00 3.92 -1.058225691e+00 -1.058225691e+00 3.94 -1.001438085e+00 -1.001438085e+00 3.96 -8.619264514e-01 -8.619264514e-01 3.98 -5.179110126e-01 -5.179110126e-01 4.00 -4.504916347e-22 -4.496796347e-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