# 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 = CuPb2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 6.188560859e+02 0.80 5.850988987e+02 0.82 5.530995491e+02 0.84 5.227697008e+02 0.86 4.940253238e+02 0.88 4.667864905e+02 0.90 4.409771803e+02 0.92 4.165250942e+02 0.94 3.933614770e+02 0.96 3.714209488e+02 0.98 3.506413434e+02 1.00 3.309635548e+02 1.02 3.123313910e+02 1.04 2.946914337e+02 1.06 2.779929059e+02 1.08 2.621875446e+02 1.10 2.472294800e+02 1.12 2.330751200e+02 1.14 2.196830409e+02 1.16 2.070138818e+02 1.18 1.950302458e+02 1.20 1.836966043e+02 1.22 1.729792067e+02 1.24 1.628459938e+02 1.26 1.532665161e+02 1.28 1.442118547e+02 1.30 1.356545473e+02 1.32 1.275685171e+02 1.34 1.199290046e+02 1.36 1.127125035e+02 1.38 1.058966992e+02 1.40 9.946041024e+01 1.42 9.338353271e+01 1.44 8.764698707e+01 1.46 8.223266775e+01 1.48 7.712339500e+01 1.50 7.230286916e+01 1.52 6.775562702e+01 1.54 6.346700040e+01 1.56 5.942307661e+01 1.58 5.561066088e+01 1.60 5.201724058e+01 1.62 4.863095123e+01 1.64 4.544054400e+01 1.66 4.243535499e+01 1.68 3.960527585e+01 1.70 3.694072585e+01 1.72 3.443262541e+01 1.74 3.207237078e+01 1.76 2.985181005e+01 1.78 2.776322027e+01 1.80 2.579928580e+01 1.82 2.395307753e+01 1.84 2.221803334e+01 1.86 2.058793935e+01 1.88 1.905691218e+01 1.90 1.761938205e+01 1.92 1.627007674e+01 1.94 1.500400631e+01 1.96 1.381644861e+01 1.98 1.270293551e+01 2.00 1.165923975e+01 2.02 1.068136254e+01 2.04 9.765521695e+00 2.06 8.908140439e+00 2.08 8.105836686e+00 2.10 7.355412924e+00 2.12 6.653846574e+00 2.14 5.998280844e+00 2.16 5.386016041e+00 2.18 4.814501316e+00 2.20 4.281326842e+00 2.22 3.784216362e+00 2.24 3.321020145e+00 2.26 2.889708269e+00 2.28 2.488364276e+00 2.30 2.115179122e+00 2.32 1.768445457e+00 2.34 1.446552189e+00 2.36 1.147979325e+00 2.38 8.712930801e-01 2.40 6.151412380e-01 2.42 3.782487514e-01 2.44 1.594135647e-01 2.46 -4.249733850e-02 2.48 -2.285516930e-01 2.50 -3.997555044e-01 2.52 -5.570564250e-01 2.54 -7.013469475e-01 2.56 -8.334674347e-01 2.58 -9.542089900e-01 2.60 -1.064316176e+00 2.62 -1.164489592e+00 2.64 -1.255388311e+00 2.66 -1.337632199e+00 2.68 -1.411804091e+00 2.70 -1.478451876e+00 2.72 -1.538090452e+00 2.74 -1.591203585e+00 2.76 -1.638245667e+00 2.78 -1.679643379e+00 2.80 -1.715797268e+00 2.82 -1.747083231e+00 2.84 -1.773853927e+00 2.86 -1.796440110e+00 2.88 -1.815151886e+00 2.90 -1.830279905e+00 2.92 -1.842096490e+00 2.94 -1.850856694e+00 2.96 -1.856799313e+00 2.98 -1.860147833e+00 3.00 -1.861111325e+00 3.02 -1.859885296e+00 3.04 -1.856652487e+00 3.06 -1.851583629e+00 3.08 -1.844838155e+00 3.10 -1.836564877e+00 3.12 -1.826902611e+00 3.14 -1.815980787e+00 3.16 -1.803920003e+00 3.18 -1.790832564e+00 3.20 -1.776822979e+00 3.22 -1.761988435e+00 3.24 -1.746419238e+00 3.26 -1.730199238e+00 3.28 -1.713406218e+00 3.30 -1.696112262e+00 3.32 -1.678384112e+00 3.34 -1.660283488e+00 3.36 -1.641867397e+00 3.38 -1.623188427e+00 3.40 -1.604295012e+00 3.42 -1.585231693e+00 3.44 -1.566039352e+00 3.46 -1.546755443e+00 3.48 -1.527414197e+00 3.50 -1.508046822e+00 3.52 -1.488681692e+00 3.54 -1.469344517e+00 3.56 -1.450058508e+00 3.58 -1.430844532e+00 3.60 -1.411721258e+00 3.62 -1.392705292e+00 3.64 -1.373811304e+00 3.66 -1.355052157e+00 3.68 -1.336439013e+00 3.70 -1.317981454e+00 3.72 -1.299687578e+00 3.74 -1.281564106e+00 3.76 -1.263616478e+00 3.78 -1.245848947e+00 3.80 -1.228264668e+00 3.82 -1.210865795e+00 3.84 -1.193653562e+00 3.86 -1.176628371e+00 3.88 -1.159789882e+00 3.90 -1.143137095e+00 3.92 -1.124486340e+00 3.94 -1.075694904e+00 3.96 -9.185902980e-01 3.98 -5.289571005e-01 4.00 -2.601804694e-22 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00