# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Zhou-X-W-Ward-D-K-Foster-M-E--Al-Cu-H # implementation = 2018--Zhou-X-W--Al-Cu-H--LAMMPS--ipr1 # composition = Al2Cu # 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 -2.207596923e+00 2.02 -2.346745179e+00 2.04 -2.474460548e+00 2.06 -2.592162208e+00 2.08 -2.701054003e+00 2.10 -2.802338987e+00 2.12 -2.896615376e+00 2.14 -2.984655483e+00 2.16 -3.066669185e+00 2.18 -3.142879446e+00 2.20 -3.213515286e+00 2.22 -3.278800023e+00 2.24 -3.338935536e+00 2.26 -3.394086379e+00 2.28 -3.444366133e+00 2.30 -3.489782266e+00 2.32 -3.530395167e+00 2.34 -3.566179371e+00 2.36 -3.597045407e+00 2.38 -3.622907259e+00 2.40 -3.643704891e+00 2.42 -3.659425612e+00 2.44 -3.670120563e+00 2.46 -3.675912322e+00 2.48 -3.676991427e+00 2.50 -3.673602352e+00 2.52 -3.666021812e+00 2.54 -3.654533248e+00 2.56 -3.639402096e+00 2.58 -3.620703659e+00 2.60 -3.598711980e+00 2.62 -3.573808943e+00 2.64 -3.546034589e+00 2.66 -3.515431133e+00 2.68 -3.482042804e+00 2.70 -3.445916138e+00 2.72 -3.407099915e+00 2.74 -3.365645340e+00 2.76 -3.321606185e+00 2.78 -3.275039033e+00 2.80 -3.226003511e+00 2.82 -3.174562653e+00 2.84 -3.120783290e+00 2.86 -3.064736515e+00 2.88 -3.006498255e+00 2.90 -2.946149933e+00 2.92 -2.883779159e+00 2.94 -2.819480575e+00 2.96 -2.753356704e+00 2.98 -2.685518946e+00 3.00 -2.616088501e+00 3.02 -2.545197368e+00 3.04 -2.472989193e+00 3.06 -2.399620100e+00 3.08 -2.325259130e+00 3.10 -2.250088413e+00 3.12 -2.174302754e+00 3.14 -2.098108561e+00 3.16 -2.021721811e+00 3.18 -1.945364955e+00 3.20 -1.869262564e+00 3.22 -1.793635627e+00 3.24 -1.718694560e+00 3.26 -1.644631203e+00 3.28 -1.571610200e+00 3.30 -1.499760612e+00 3.32 -1.429168669e+00 3.34 -1.359872846e+00 3.36 -1.291862308e+00 3.38 -1.225079627e+00 3.40 -1.159428164e+00 3.42 -1.094783767e+00 3.44 -1.031010029e+00 3.46 -9.679754405e-01 3.48 -9.055707935e-01 3.50 -8.437249591e-01 3.52 -7.824176298e-01 3.54 -7.216880811e-01 3.56 -6.616396519e-01 3.58 -6.024400438e-01 3.60 -5.443180528e-01 3.62 -4.875443590e-01 3.64 -4.324657931e-01 3.66 -3.793219324e-01 3.68 -3.286674899e-01 3.70 -2.808838568e-01 3.72 -2.363421974e-01 3.74 -1.953837279e-01 3.76 -1.582970872e-01 3.78 -1.252940006e-01 3.80 -9.648499575e-02 3.82 -7.185762210e-02 3.84 -5.126153348e-02 3.86 -3.441302379e-02 3.88 -2.096310155e-02 3.90 -1.073184164e-02 3.92 -3.991866943e-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