# 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-Sb # implementation = 2026--Park-J-H--Fe-Cu-Sb--LAMMPS--ipr1 # composition = Cu2FeSb # 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 3.260010414e+02 3.260010414e+02 0.86 3.078410397e+02 3.078410397e+02 0.88 2.904661709e+02 2.904661709e+02 0.90 2.736464580e+02 2.736464580e+02 0.92 2.571039269e+02 2.571039269e+02 0.94 2.405867345e+02 2.405867345e+02 0.96 2.239796268e+02 2.239796268e+02 0.98 2.073855052e+02 2.073855052e+02 1.00 1.911087201e+02 1.911087201e+02 1.02 1.755386393e+02 1.755386393e+02 1.04 1.610098514e+02 1.610098514e+02 1.06 1.477188558e+02 1.477188558e+02 1.08 1.357170362e+02 1.357170362e+02 1.10 1.249498095e+02 1.249498095e+02 1.12 1.153049984e+02 1.153049984e+02 1.14 1.066502681e+02 1.066502681e+02 1.16 9.885547027e+01 9.885547027e+01 1.18 9.180318143e+01 9.180318143e+01 1.20 8.539204742e+01 8.539204742e+01 1.22 7.953647533e+01 7.953647533e+01 1.24 7.416482388e+01 7.416482388e+01 1.26 6.921721402e+01 6.921721402e+01 1.28 6.464346247e+01 6.464346247e+01 1.30 6.040131595e+01 6.040131595e+01 1.32 5.645501048e+01 5.645501048e+01 1.34 5.277411905e+01 5.277411905e+01 1.36 4.933263394e+01 4.933263394e+01 1.38 4.610823158e+01 4.610823158e+01 1.40 4.308167730e+01 4.308167730e+01 1.42 4.023633670e+01 4.023633670e+01 1.44 3.755776955e+01 3.755776955e+01 1.46 3.503338869e+01 3.503338869e+01 1.48 3.265217151e+01 3.265217151e+01 1.50 3.040441501e+01 3.040441501e+01 1.52 2.828152779e+01 2.828152779e+01 1.54 2.627585365e+01 2.627585365e+01 1.56 2.438052270e+01 2.438052270e+01 1.58 2.258932615e+01 2.258932615e+01 1.60 2.089661165e+01 2.089661165e+01 1.62 1.929719646e+01 1.929719646e+01 1.64 1.778629558e+01 1.778629558e+01 1.66 1.635946281e+01 1.635946281e+01 1.68 1.501254254e+01 1.501254254e+01 1.70 1.374163057e+01 1.374163057e+01 1.72 1.254304232e+01 1.254304232e+01 1.74 1.141328709e+01 1.141328709e+01 1.76 1.034904740e+01 1.034904740e+01 1.78 9.347162194e+00 9.347162194e+00 1.80 8.404613314e+00 8.404613314e+00 1.82 7.518514543e+00 7.518514543e+00 1.84 6.686102644e+00 6.686102644e+00 1.86 5.904729990e+00 5.904729990e+00 1.88 5.171858450e+00 5.171858450e+00 1.90 4.485054223e+00 4.485054223e+00 1.92 3.841983425e+00 3.841983425e+00 1.94 3.240408235e+00 3.240408235e+00 1.96 2.678183472e+00 2.678183472e+00 1.98 2.153253506e+00 2.153253506e+00 2.00 1.663649389e+00 1.663649389e+00 2.02 1.207486185e+00 1.207486185e+00 2.04 7.829604094e-01 7.829604094e-01 2.06 3.883475801e-01 3.883475801e-01 2.08 2.199981725e-02 2.199981725e-02 2.10 -3.176564971e-01 -3.176564971e-01 2.12 -6.321230322e-01 -6.321230322e-01 2.14 -9.228317955e-01 -9.228317955e-01 2.16 -1.191147398e+00 -1.191147398e+00 2.18 -1.438369308e+00 -1.438369308e+00 2.20 -1.665734081e+00 -1.665734081e+00 2.22 -1.874417583e+00 -1.874417583e+00 2.24 -2.065537183e+00 -2.065537183e+00 2.26 -2.240153938e+00 -2.240153938e+00 2.28 -2.399274738e+00 -2.399274738e+00 2.30 -2.543854439e+00 -2.543854439e+00 2.32 -2.674797953e+00 -2.674797953e+00 2.34 -2.792962307e+00 -2.792962307e+00 2.36 -2.899158666e+00 -2.899158666e+00 2.38 -2.994154312e+00 -2.994154312e+00 2.40 -3.078674578e+00 -3.078674578e+00 2.42 -3.153404736e+00 -3.153404736e+00 2.44 -3.218991838e+00 -3.218991838e+00 2.46 -3.276046500e+00 -3.276046500e+00 2.48 -3.325144639e+00 -3.325144639e+00 2.50 -3.366829150e+00 -3.366829150e+00 2.52 -3.401611531e+00 -3.401611531e+00 2.54 -3.429973452e+00 -3.429973452e+00 2.56 -3.452368266e+00 -3.452368266e+00 2.58 -3.469222459e+00 -3.469222459e+00 2.60 -3.480937056e+00 -3.480937056e+00 2.62 -3.487888954e+00 -3.487888954e+00 2.64 -3.490432215e+00 -3.490432215e+00 2.66 -3.488899292e+00 -3.488899292e+00 2.68 -3.483602207e+00 -3.483602207e+00 2.70 -3.474833677e+00 -3.474833677e+00 2.72 -3.462868184e+00 -3.462868184e+00 2.74 -3.447962998e+00 -3.447962998e+00 2.76 -3.430359150e+00 -3.430359150e+00 2.78 -3.410282357e+00 -3.410282357e+00 2.80 -3.387943902e+00 -3.387943902e+00 2.82 -3.363541469e+00 -3.363541469e+00 2.84 -3.337259936e+00 -3.337259936e+00 2.86 -3.309272125e+00 -3.309272125e+00 2.88 -3.279739517e+00 -3.279739517e+00 2.90 -3.248812920e+00 -3.248812920e+00 2.92 -3.216633112e+00 -3.216633112e+00 2.94 -3.183331441e+00 -3.183331441e+00 2.96 -3.149030398e+00 -3.149030398e+00 2.98 -3.113844150e+00 -3.113844150e+00 3.00 -3.077879052e+00 -3.077879052e+00 3.02 -3.041234123e+00 -3.041234123e+00 3.04 -3.004001500e+00 -3.004001500e+00 3.06 -2.966266866e+00 -2.966266866e+00 3.08 -2.928109846e+00 -2.928109846e+00 3.10 -2.889604389e+00 -2.889604389e+00 3.12 -2.850819123e+00 -2.850819123e+00 3.14 -2.811817689e+00 -2.811817689e+00 3.16 -2.772659058e+00 -2.772659058e+00 3.18 -2.733397824e+00 -2.733397824e+00 3.20 -2.694084486e+00 -2.694084486e+00 3.22 -2.654765711e+00 -2.654765711e+00 3.24 -2.615484573e+00 -2.615484573e+00 3.26 -2.576280792e+00 -2.576280792e+00 3.28 -2.537190948e+00 -2.537190948e+00 3.30 -2.498248683e+00 -2.498248683e+00 3.32 -2.459484896e+00 -2.459484896e+00 3.34 -2.420927920e+00 -2.420927920e+00 3.36 -2.382603690e+00 -2.382603690e+00 3.38 -2.344535556e+00 -2.344535556e+00 3.40 -2.304491769e+00 -2.304491769e+00 3.42 -2.241242818e+00 -2.241242818e+00 3.44 -2.112285487e+00 -2.112285487e+00 3.46 -1.937493092e+00 -1.937493092e+00 3.48 -1.894460341e+00 -1.894460341e+00 3.50 -1.860948299e+00 -1.860948299e+00 3.52 -1.827852345e+00 -1.827852345e+00 3.54 -1.795179379e+00 -1.795179379e+00 3.56 -1.762935226e+00 -1.762935226e+00 3.58 -1.731124719e+00 -1.731124719e+00 3.60 -1.699751771e+00 -1.699751771e+00 3.62 -1.668819440e+00 -1.668819440e+00 3.64 -1.638330000e+00 -1.638330000e+00 3.66 -1.608284998e+00 -1.608284998e+00 3.68 -1.578685308e+00 -1.578685308e+00 3.70 -1.549531189e+00 -1.549531189e+00 3.72 -1.520822329e+00 -1.520822329e+00 3.74 -1.492557896e+00 -1.492557896e+00 3.76 -1.464736577e+00 -1.464736577e+00 3.78 -1.437356620e+00 -1.437356620e+00 3.80 -1.410415874e+00 -1.410415874e+00 3.82 -1.383911819e+00 -1.383911819e+00 3.84 -1.357841602e+00 -1.357841602e+00 3.86 -1.332202069e+00 -1.332202069e+00 3.88 -1.306989790e+00 -1.306989790e+00 3.90 -1.282201086e+00 -1.282201086e+00 3.92 -1.255449426e+00 -1.255449426e+00 3.94 -1.196236941e+00 -1.196236941e+00 3.96 -1.020190615e+00 -1.020190615e+00 3.98 -5.901645024e-01 -5.901645024e-01 4.00 -3.945059842e-22 -3.949151753e-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