# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Zhou-X-W-Ward-D-K-Foster-M-E--Al-Cu # implementation = 2016--Zhou-X-W--Al-Cu--LAMMPS--ipr1 # composition = AlCu2 # 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 2022-05-24 r C1--CaF2--fluori 2.00 -1.485682535e+00 2.02 -1.607410513e+00 2.04 -1.719296404e+00 2.06 -1.822457424e+00 2.08 -1.917770245e+00 2.10 -2.006122156e+00 2.12 -2.088086475e+00 2.14 -2.163797820e+00 2.16 -2.233410030e+00 2.18 -2.297110406e+00 2.20 -2.355122913e+00 2.22 -2.407700115e+00 2.24 -2.455104571e+00 2.26 -2.497585955e+00 2.28 -2.535358828e+00 2.30 -2.568491067e+00 2.32 -2.597214841e+00 2.34 -2.621635588e+00 2.36 -2.641752272e+00 2.38 -2.657564081e+00 2.40 -2.669083950e+00 2.42 -2.676351285e+00 2.44 -2.679442195e+00 2.46 -2.678474865e+00 2.48 -2.673608788e+00 2.50 -2.665038368e+00 2.52 -2.652982361e+00 2.54 -2.637671165e+00 2.56 -2.619334743e+00 2.58 -2.598116459e+00 2.60 -2.574268441e+00 2.62 -2.548106011e+00 2.64 -2.519783302e+00 2.66 -2.489465276e+00 2.68 -2.457327182e+00 2.70 -2.423553871e+00 2.72 -2.388338126e+00 2.74 -2.351878389e+00 2.76 -2.314375693e+00 2.78 -2.276029716e+00 2.80 -2.237034082e+00 2.82 -2.197571013e+00 2.84 -2.157805593e+00 2.86 -2.117880009e+00 2.88 -2.077908200e+00 2.90 -2.037971521e+00 2.92 -1.998115902e+00 2.94 -1.958351040e+00 2.96 -1.918651969e+00 2.98 -1.878963146e+00 3.00 -1.839204805e+00 3.02 -1.799281141e+00 3.04 -1.759089453e+00 3.06 -1.718529354e+00 3.08 -1.677510913e+00 3.10 -1.635960922e+00 3.12 -1.593826624e+00 3.14 -1.551076769e+00 3.16 -1.507700157e+00 3.18 -1.463702285e+00 3.20 -1.419100928e+00 3.22 -1.373919190e+00 3.24 -1.328177244e+00 3.26 -1.281878476e+00 3.28 -1.235111744e+00 3.30 -1.187894718e+00 3.32 -1.140245122e+00 3.34 -1.092181755e+00 3.36 -1.043725692e+00 3.38 -9.949017912e-01 3.40 -9.457404609e-01 3.42 -8.962796716e-01 3.44 -8.465673180e-01 3.46 -7.966637857e-01 3.48 -7.466448015e-01 3.50 -6.966044042e-01 3.52 -6.466579856e-01 3.54 -5.969452165e-01 3.56 -5.476326715e-01 3.58 -4.989158022e-01 3.60 -4.510199943e-01 3.62 -4.042002471e-01 3.64 -3.587390336e-01 3.66 -3.149418546e-01 3.68 -2.731300782e-01 3.70 -2.336307222e-01 3.72 -1.967630638e-01 3.74 -1.628222620e-01 3.76 -1.320605724e-01 3.78 -1.046671911e-01 3.80 -8.074820298e-02 3.82 -6.030850089e-02 3.84 -4.323823252e-02 3.86 -2.930968346e-02 3.88 -1.820715693e-02 3.90 -9.666542703e-03 3.92 -3.779836169e-03 3.94 1.872849665e-04 3.96 3.862205501e-05 3.98 0.000000000e+00 4.00 0.000000000e+00 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