# 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 = CuFe2Sn # 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 5.965300798e+02 5.965300798e+02 0.86 5.606710189e+02 5.606710189e+02 0.88 5.268596495e+02 5.268596495e+02 0.90 4.949823843e+02 4.949823843e+02 0.92 4.649318270e+02 4.649318270e+02 0.94 4.366064382e+02 4.366064382e+02 0.96 4.099102198e+02 4.099102198e+02 0.98 3.847524166e+02 3.847524166e+02 1.00 3.610472328e+02 3.610472328e+02 1.02 3.387135649e+02 3.387135649e+02 1.04 3.176747476e+02 3.176747476e+02 1.06 2.978583146e+02 2.978583146e+02 1.08 2.791957712e+02 2.791957712e+02 1.10 2.616223798e+02 2.616223798e+02 1.12 2.450769560e+02 2.450769560e+02 1.14 2.295016768e+02 2.295016768e+02 1.16 2.148418979e+02 2.148418979e+02 1.18 2.010459818e+02 2.010459818e+02 1.20 1.880651342e+02 1.880651342e+02 1.22 1.758532502e+02 1.758532502e+02 1.24 1.643667679e+02 1.643667679e+02 1.26 1.535645301e+02 1.535645301e+02 1.28 1.434076540e+02 1.434076540e+02 1.30 1.338594069e+02 1.338594069e+02 1.32 1.248850898e+02 1.248850898e+02 1.34 1.164519259e+02 1.164519259e+02 1.36 1.085289565e+02 1.085289565e+02 1.38 1.010869415e+02 1.010869415e+02 1.40 9.409826576e+01 9.409826576e+01 1.42 8.753685038e+01 8.753685038e+01 1.44 8.137806881e+01 8.137806881e+01 1.46 7.559866745e+01 7.559866745e+01 1.48 7.017669059e+01 7.017669059e+01 1.50 6.509140941e+01 6.509140941e+01 1.52 6.032325478e+01 6.032325478e+01 1.54 5.585375377e+01 5.585375377e+01 1.56 5.166546949e+01 5.166546949e+01 1.58 4.774194434e+01 4.774194434e+01 1.60 4.406764619e+01 4.406764619e+01 1.62 4.062791760e+01 4.062791760e+01 1.64 3.740892765e+01 3.740892765e+01 1.66 3.439762657e+01 3.439762657e+01 1.68 3.158170267e+01 3.158170267e+01 1.70 2.894954168e+01 2.894954168e+01 1.72 2.649018833e+01 2.649018833e+01 1.74 2.419330991e+01 2.419330991e+01 1.76 2.204916193e+01 2.204916193e+01 1.78 2.004855559e+01 2.004855559e+01 1.80 1.818282699e+01 1.818282699e+01 1.82 1.644380808e+01 1.644380808e+01 1.84 1.482379918e+01 1.482379918e+01 1.86 1.331554291e+01 1.331554291e+01 1.88 1.191219969e+01 1.191219969e+01 1.90 1.060732441e+01 1.060732441e+01 1.92 9.394844538e+00 9.394844538e+00 1.94 8.269039279e+00 8.269039279e+00 1.96 7.224519958e+00 7.224519958e+00 1.98 6.256211451e+00 6.256211451e+00 2.00 5.359334619e+00 5.359334619e+00 2.02 4.529389728e+00 4.529389728e+00 2.04 3.762140495e+00 3.762140495e+00 2.06 3.053004044e+00 3.053004044e+00 2.08 2.394646443e+00 2.394646443e+00 2.10 1.790651421e+00 1.790651421e+00 2.12 1.236824948e+00 1.236824948e+00 2.14 7.279701936e-01 7.279701936e-01 2.16 2.611493728e-01 2.611493728e-01 2.18 -1.663998002e-01 -1.663998002e-01 2.20 -5.572740834e-01 -5.572740834e-01 2.22 -9.139141458e-01 -9.139141458e-01 2.24 -1.238613466e+00 -1.238613466e+00 2.26 -1.533526760e+00 -1.533526760e+00 2.28 -1.800677920e+00 -1.800677920e+00 2.30 -2.041967538e+00 -2.041967538e+00 2.32 -2.259179989e+00 -2.259179989e+00 2.34 -2.453990138e+00 -2.453990138e+00 2.36 -2.627969667e+00 -2.627969667e+00 2.38 -2.782593047e+00 -2.782593047e+00 2.40 -2.919243187e+00 -2.919243187e+00 2.42 -3.039216753e+00 -3.039216753e+00 2.44 -3.143729207e+00 -3.143729207e+00 2.46 -3.233919548e+00 -3.233919548e+00 2.48 -3.310854799e+00 -3.310854799e+00 2.50 -3.375534233e+00 -3.375534233e+00 2.52 -3.428893370e+00 -3.428893370e+00 2.54 -3.471807739e+00 -3.471807739e+00 2.56 -3.505096436e+00 -3.505096436e+00 2.58 -3.529525479e+00 -3.529525479e+00 2.60 -3.545810969e+00 -3.545810969e+00 2.62 -3.554622075e+00 -3.554622075e+00 2.64 -3.556583849e+00 -3.556583849e+00 2.66 -3.552279882e+00 -3.552279882e+00 2.68 -3.542254803e+00 -3.542254803e+00 2.70 -3.527016642e+00 -3.527016642e+00 2.72 -3.507039055e+00 -3.507039055e+00 2.74 -3.482763417e+00 -3.482763417e+00 2.76 -3.454600803e+00 -3.454600803e+00 2.78 -3.422933844e+00 -3.422933844e+00 2.80 -3.388118488e+00 -3.388118488e+00 2.82 -3.350485650e+00 -3.350485650e+00 2.84 -3.310342768e+00 -3.310342768e+00 2.86 -3.267975270e+00 -3.267975270e+00 2.88 -3.223647955e+00 -3.223647955e+00 2.90 -3.177606294e+00 -3.177606294e+00 2.92 -3.130077652e+00 -3.130077652e+00 2.94 -3.081272439e+00 -3.081272439e+00 2.96 -3.031385195e+00 -3.031385195e+00 2.98 -2.980595613e+00 -2.980595613e+00 3.00 -2.929069490e+00 -2.929069490e+00 3.02 -2.876959637e+00 -2.876959637e+00 3.04 -2.824406726e+00 -2.824406726e+00 3.06 -2.771540082e+00 -2.771540082e+00 3.08 -2.718478441e+00 -2.718478441e+00 3.10 -2.665330649e+00 -2.665330649e+00 3.12 -2.612196324e+00 -2.612196324e+00 3.14 -2.559166483e+00 -2.559166483e+00 3.16 -2.506324119e+00 -2.506324119e+00 3.18 -2.453744757e+00 -2.453744757e+00 3.20 -2.401496962e+00 -2.401496962e+00 3.22 -2.349642827e+00 -2.349642827e+00 3.24 -2.298238425e+00 -2.298238425e+00 3.26 -2.247334234e+00 -2.247334234e+00 3.28 -2.196975534e+00 -2.196975534e+00 3.30 -2.147202787e+00 -2.147202787e+00 3.32 -2.098051980e+00 -2.098051980e+00 3.34 -2.049554959e+00 -2.049554959e+00 3.36 -2.001739735e+00 -2.001739735e+00 3.38 -1.954630730e+00 -1.954630730e+00 3.40 -1.907987175e+00 -1.907987175e+00 3.42 -1.859432044e+00 -1.859432044e+00 3.44 -1.804640284e+00 -1.804640284e+00 3.46 -1.746751878e+00 -1.746751878e+00 3.48 -1.703260177e+00 -1.703260177e+00 3.50 -1.661449129e+00 -1.661449129e+00 3.52 -1.620427627e+00 -1.620427627e+00 3.54 -1.580199432e+00 -1.580199432e+00 3.56 -1.540766747e+00 -1.540766747e+00 3.58 -1.502130351e+00 -1.502130351e+00 3.60 -1.464289726e+00 -1.464289726e+00 3.62 -1.427243183e+00 -1.427243183e+00 3.64 -1.390987968e+00 -1.390987968e+00 3.66 -1.355520366e+00 -1.355520366e+00 3.68 -1.320835804e+00 -1.320835804e+00 3.70 -1.286928932e+00 -1.286928932e+00 3.72 -1.253793713e+00 -1.253793713e+00 3.74 -1.221423496e+00 -1.221423496e+00 3.76 -1.189811093e+00 -1.189811093e+00 3.78 -1.158948840e+00 -1.158948840e+00 3.80 -1.128828660e+00 -1.128828660e+00 3.82 -1.099442123e+00 -1.099442123e+00 3.84 -1.070780493e+00 -1.070780493e+00 3.86 -1.042834782e+00 -1.042834782e+00 3.88 -1.015595790e+00 -1.015595790e+00 3.90 -9.890541468e-01 -9.890541468e-01 3.92 -9.618358951e-01 -9.618358951e-01 3.94 -9.163698253e-01 -9.163698253e-01 3.96 -7.991707850e-01 -7.991707850e-01 3.98 -4.922631826e-01 -4.922631826e-01 4.00 -4.086332032e-22 -4.091954718e-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