# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kumar-A-Chernatynskiy-A-Liang-T-et-al--Al-Ni # implementation = 2015--Kumar-A--Al-Ni--LAMMPS--ipr1 # composition = AlNi2 # 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 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 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 1.038691399e+01 1.68 8.233053236e+00 1.70 6.385246532e+00 1.72 4.909305744e+00 1.74 3.836758054e+00 1.76 3.104210328e+00 1.78 2.458862733e+00 1.80 1.862375708e+00 1.82 1.311578538e+00 1.84 8.035005637e-01 1.86 3.353584226e-01 1.88 -1.069990187e-01 1.90 -5.623061434e-01 1.92 -1.014861121e+00 1.94 -1.443188573e+00 1.96 -1.830052277e+00 1.98 -2.165571895e+00 2.00 -2.447758818e+00 2.02 -2.680705216e+00 2.04 -2.871495846e+00 2.06 -3.028611947e+00 2.08 -3.167289072e+00 2.10 -3.297074862e+00 2.12 -3.423638235e+00 2.14 -3.539524026e+00 2.16 -3.637060080e+00 2.18 -3.711601799e+00 2.20 -3.763468289e+00 2.22 -3.797846177e+00 2.24 -3.822699915e+00 2.26 -3.845606213e+00 2.28 -3.868350418e+00 2.30 -3.884807315e+00 2.32 -3.895023528e+00 2.34 -3.899445829e+00 2.36 -3.898495445e+00 2.38 -3.892569414e+00 2.40 -3.882041859e+00 2.42 -3.867265210e+00 2.44 -3.848571349e+00 2.46 -3.826272713e+00 2.48 -3.800663321e+00 2.50 -3.772019767e+00 2.52 -3.740602149e+00 2.54 -3.706654955e+00 2.56 -3.670407904e+00 2.58 -3.632076744e+00 2.60 -3.591864002e+00 2.62 -3.549959707e+00 2.64 -3.506542067e+00 2.66 -3.453946951e+00 2.68 -3.382889642e+00 2.70 -3.295177891e+00 2.72 -3.193399213e+00 2.74 -3.080904565e+00 2.76 -2.961756433e+00 2.78 -2.840570965e+00 2.80 -2.722248106e+00 2.82 -2.611607991e+00 2.84 -2.512975628e+00 2.86 -2.429774013e+00 2.88 -2.364192784e+00 2.90 -2.316991570e+00 2.92 -2.279838699e+00 2.94 -2.242640322e+00 2.96 -2.205409734e+00 2.98 -2.168188742e+00 3.00 -2.131016458e+00 3.02 -2.093929421e+00 3.04 -2.056961733e+00 3.06 -2.015122796e+00 3.08 -1.939304677e+00 3.10 -1.827682060e+00 3.12 -1.684691353e+00 3.14 -1.515850479e+00 3.16 -1.327656278e+00 3.18 -1.127429393e+00 3.20 -9.230894565e-01 3.22 -7.228531732e-01 3.24 -5.348608005e-01 3.26 -3.667508719e-01 3.28 -2.252163827e-01 3.30 -1.155855130e-01 3.32 -4.147379744e-02 3.34 -4.550826019e-03 3.36 0.000000000e+00 3.38 0.000000000e+00 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 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