# 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-Pb # implementation = 2026--Park-J-H--Fe-Cu-Pb--LAMMPS--ipr1 # composition = CuFe2Pb # 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 4.644457063e+02 4.644457063e+02 0.86 4.364544178e+02 4.364544178e+02 0.88 4.100611862e+02 4.100611862e+02 0.90 3.851775188e+02 3.851775188e+02 0.92 3.617197276e+02 3.617197276e+02 0.94 3.396086723e+02 3.396086723e+02 0.96 3.187695174e+02 3.187695174e+02 0.98 2.991315015e+02 2.991315015e+02 1.00 2.806277188e+02 2.806277188e+02 1.02 2.631949128e+02 2.631949128e+02 1.04 2.467732800e+02 2.467732800e+02 1.06 2.313062843e+02 2.313062843e+02 1.08 2.167404816e+02 2.167404816e+02 1.10 2.030253530e+02 2.030253530e+02 1.12 1.901131474e+02 1.901131474e+02 1.14 1.779587318e+02 1.779587318e+02 1.16 1.665194507e+02 1.665194507e+02 1.18 1.557549916e+02 1.557549916e+02 1.20 1.456272586e+02 1.456272586e+02 1.22 1.361002523e+02 1.361002523e+02 1.24 1.271399564e+02 1.271399564e+02 1.26 1.187142301e+02 1.187142301e+02 1.28 1.107927065e+02 1.107927065e+02 1.30 1.033466961e+02 1.033466961e+02 1.32 9.634909606e+01 9.634909606e+01 1.34 8.977430338e+01 8.977430338e+01 1.36 8.359813382e+01 8.359813382e+01 1.38 7.779774445e+01 7.779774445e+01 1.40 7.235156063e+01 7.235156063e+01 1.42 6.723920688e+01 6.723920688e+01 1.44 6.244144145e+01 6.244144145e+01 1.46 5.794009451e+01 5.794009451e+01 1.48 5.371800953e+01 5.371800953e+01 1.50 4.975898796e+01 4.975898796e+01 1.52 4.604773682e+01 4.604773682e+01 1.54 4.256981914e+01 4.256981914e+01 1.56 3.931160711e+01 3.931160711e+01 1.58 3.626023770e+01 3.626023770e+01 1.60 3.340357075e+01 3.340357075e+01 1.62 3.073014931e+01 3.073014931e+01 1.64 2.822916208e+01 2.822916208e+01 1.66 2.589040797e+01 2.589040797e+01 1.68 2.370426248e+01 2.370426248e+01 1.70 2.166164603e+01 2.166164603e+01 1.72 1.975399389e+01 1.975399389e+01 1.74 1.797322778e+01 1.797322778e+01 1.76 1.631172908e+01 1.631172908e+01 1.78 1.476231337e+01 1.476231337e+01 1.80 1.331820646e+01 1.331820646e+01 1.82 1.197302168e+01 1.197302168e+01 1.84 1.072073841e+01 1.072073841e+01 1.86 9.555681755e+00 9.555681755e+00 1.88 8.472503374e+00 8.472503374e+00 1.90 7.466163318e+00 7.466163318e+00 1.92 6.531912866e+00 6.531912866e+00 1.94 5.665278302e+00 5.665278302e+00 1.96 4.862045567e+00 4.862045567e+00 1.98 4.118245761e+00 4.118245761e+00 2.00 3.430141422e+00 3.430141422e+00 2.02 2.794213574e+00 2.794213574e+00 2.04 2.207149459e+00 2.207149459e+00 2.06 1.665829162e+00 1.665829162e+00 2.08 1.167307439e+00 1.167307439e+00 2.10 7.088447185e-01 7.088447185e-01 2.12 2.878408277e-01 2.878408277e-01 2.14 -9.815370709e-02 -9.815370709e-02 2.16 -4.514365162e-01 -4.514365162e-01 2.18 -7.741679134e-01 -7.741679134e-01 2.20 -1.068378692e+00 -1.068378692e+00 2.22 -1.335977505e+00 -1.335977505e+00 2.24 -1.578757824e+00 -1.578757824e+00 2.26 -1.798404525e+00 -1.798404525e+00 2.28 -1.996500105e+00 -1.996500105e+00 2.30 -2.174530558e+00 -2.174530558e+00 2.32 -2.333890917e+00 -2.333890917e+00 2.34 -2.475890503e+00 -2.475890503e+00 2.36 -2.601757868e+00 -2.601757868e+00 2.38 -2.712645472e+00 -2.712645472e+00 2.40 -2.809634099e+00 -2.809634099e+00 2.42 -2.893737021e+00 -2.893737021e+00 2.44 -2.965903937e+00 -2.965903937e+00 2.46 -3.027024684e+00 -3.027024684e+00 2.48 -3.077932749e+00 -3.077932749e+00 2.50 -3.119408574e+00 -3.119408574e+00 2.52 -3.152182685e+00 -3.152182685e+00 2.54 -3.176938638e+00 -3.176938638e+00 2.56 -3.194315803e+00 -3.194315803e+00 2.58 -3.204911985e+00 -3.204911985e+00 2.60 -3.209285907e+00 -3.209285907e+00 2.62 -3.207959539e+00 -3.207959539e+00 2.64 -3.201420307e+00 -3.201420307e+00 2.66 -3.190123171e+00 -3.190123171e+00 2.68 -3.174492578e+00 -3.174492578e+00 2.70 -3.154924319e+00 -3.154924319e+00 2.72 -3.131787264e+00 -3.131787264e+00 2.74 -3.105425006e+00 -3.105425006e+00 2.76 -3.076157410e+00 -3.076157410e+00 2.78 -3.044282067e+00 -3.044282067e+00 2.80 -3.010075676e+00 -3.010075676e+00 2.82 -2.973795327e+00 -2.973795327e+00 2.84 -2.935679730e+00 -2.935679730e+00 2.86 -2.895950361e+00 -2.895950361e+00 2.88 -2.854812540e+00 -2.854812540e+00 2.90 -2.812456452e+00 -2.812456452e+00 2.92 -2.769058104e+00 -2.769058104e+00 2.94 -2.724780230e+00 -2.724780230e+00 2.96 -2.679773135e+00 -2.679773135e+00 2.98 -2.634175498e+00 -2.634175498e+00 3.00 -2.588115119e+00 -2.588115119e+00 3.02 -2.541709630e+00 -2.541709630e+00 3.04 -2.495067157e+00 -2.495067157e+00 3.06 -2.448286943e+00 -2.448286943e+00 3.08 -2.401459939e+00 -2.401459939e+00 3.10 -2.354669352e+00 -2.354669352e+00 3.12 -2.307991166e+00 -2.307991166e+00 3.14 -2.261494628e+00 -2.261494628e+00 3.16 -2.215242703e+00 -2.215242703e+00 3.18 -2.169292507e+00 -2.169292507e+00 3.20 -2.123695709e+00 -2.123695709e+00 3.22 -2.078498905e+00 -2.078498905e+00 3.24 -2.033743981e+00 -2.033743981e+00 3.26 -1.989468436e+00 -1.989468436e+00 3.28 -1.945705702e+00 -1.945705702e+00 3.30 -1.902485434e+00 -1.902485434e+00 3.32 -1.859833780e+00 -1.859833780e+00 3.34 -1.817773645e+00 -1.817773645e+00 3.36 -1.776324925e+00 -1.776324925e+00 3.38 -1.735504725e+00 -1.735504725e+00 3.40 -1.695252251e+00 -1.695252251e+00 3.42 -1.654904807e+00 -1.654904807e+00 3.44 -1.613123655e+00 -1.613123655e+00 3.46 -1.570502725e+00 -1.570502725e+00 3.48 -1.533247076e+00 -1.533247076e+00 3.50 -1.496990738e+00 -1.496990738e+00 3.52 -1.461412878e+00 -1.461412878e+00 3.54 -1.426513626e+00 -1.426513626e+00 3.56 -1.392291957e+00 -1.392291957e+00 3.58 -1.358745800e+00 -1.358745800e+00 3.60 -1.325872129e+00 -1.325872129e+00 3.62 -1.293667050e+00 -1.293667050e+00 3.64 -1.262125887e+00 -1.262125887e+00 3.66 -1.231243254e+00 -1.231243254e+00 3.68 -1.201013128e+00 -1.201013128e+00 3.70 -1.171428917e+00 -1.171428917e+00 3.72 -1.142483517e+00 -1.142483517e+00 3.74 -1.114169371e+00 -1.114169371e+00 3.76 -1.086478522e+00 -1.086478522e+00 3.78 -1.059402661e+00 -1.059402661e+00 3.80 -1.032933174e+00 -1.032933174e+00 3.82 -1.007061179e+00 -1.007061179e+00 3.84 -9.817775716e-01 -9.817775716e-01 3.86 -9.570730552e-01 -9.570730552e-01 3.88 -9.329381762e-01 -9.329381762e-01 3.90 -9.093633540e-01 -9.093633540e-01 3.92 -8.851951847e-01 -8.851951847e-01 3.94 -8.455651322e-01 -8.455651322e-01 3.96 -7.432717807e-01 -7.432717807e-01 3.98 -4.652422967e-01 -4.652422967e-01 4.00 -4.126861526e-22 -4.134709768e-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 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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