# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni # implementation = 2025--Sharifi-H--Cu-Ni--LAMMPS--ipr1 # composition = Cu2Ni # 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 2025-07-01 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 8.348972820e+02 0.92 7.904475136e+02 0.94 7.491740835e+02 0.96 7.093487487e+02 0.98 6.703230332e+02 1.00 6.317879262e+02 1.02 5.936615562e+02 1.04 5.560060466e+02 1.06 5.189669941e+02 1.08 4.827303546e+02 1.10 4.474925744e+02 1.12 4.134407573e+02 1.14 3.807402718e+02 1.16 3.495278227e+02 1.18 3.199084327e+02 1.20 2.919551449e+02 1.22 2.657105590e+02 1.24 2.411895065e+02 1.26 2.183823793e+02 1.28 1.972587484e+02 1.30 1.777710070e+02 1.32 1.598578789e+02 1.34 1.434476705e+02 1.36 1.284612013e+02 1.38 1.148143850e+02 1.40 1.024204475e+02 1.42 9.119179576e+01 1.44 8.104155505e+01 1.46 7.188480289e+01 1.48 6.363953060e+01 1.50 5.622736478e+01 1.52 4.957408153e+01 1.54 4.360994415e+01 1.56 3.826989287e+01 1.58 3.349361469e+01 1.60 2.922551840e+01 1.62 2.541462699e+01 1.64 2.201441110e+01 1.66 1.898258254e+01 1.68 1.628085880e+01 1.70 1.387470826e+01 1.72 1.173308494e+01 1.74 9.828161094e+00 1.76 8.135061695e+00 1.78 6.631606117e+00 1.80 5.298057106e+00 1.82 4.116833760e+00 1.84 3.072166785e+00 1.86 2.149830922e+00 1.88 1.336991042e+00 1.90 6.220721376e-01 1.92 -5.358912804e-03 1.94 -5.547007864e-01 1.96 -1.034415081e+00 1.98 -1.452114951e+00 2.00 -1.814645540e+00 2.02 -2.128156926e+00 2.04 -2.398170535e+00 2.06 -2.629639322e+00 2.08 -2.827002416e+00 2.10 -2.994234816e+00 2.12 -3.134892382e+00 2.14 -3.252152731e+00 2.16 -3.348852346e+00 2.18 -3.427520178e+00 2.20 -3.490408175e+00 2.22 -3.539518962e+00 2.24 -3.576635915e+00 2.26 -3.603351715e+00 2.28 -3.621076012e+00 2.30 -3.630958789e+00 2.32 -3.633797221e+00 2.34 -3.630283352e+00 2.36 -3.621049561e+00 2.38 -3.606673628e+00 2.40 -3.587683370e+00 2.42 -3.564560890e+00 2.44 -3.537746464e+00 2.46 -3.507643703e+00 2.48 -3.474732447e+00 2.50 -3.439466614e+00 2.52 -3.401551271e+00 2.54 -3.361632995e+00 2.56 -3.319966020e+00 2.58 -3.276782131e+00 2.60 -3.232292575e+00 2.62 -3.186689809e+00 2.64 -3.140149099e+00 2.66 -3.092829985e+00 2.68 -3.044877622e+00 2.70 -2.996424001e+00 2.72 -2.947589076e+00 2.74 -2.898481785e+00 2.76 -2.849200990e+00 2.78 -2.799836338e+00 2.80 -2.750469043e+00 2.82 -2.701172607e+00 2.84 -2.652013475e+00 2.86 -2.603051639e+00 2.88 -2.554341186e+00 2.90 -2.505930803e+00 2.92 -2.457864234e+00 2.94 -2.410180705e+00 2.96 -2.362915306e+00 2.98 -2.316099345e+00 3.00 -2.269760671e+00 3.02 -2.223923966e+00 3.04 -2.178611017e+00 3.06 -2.133840964e+00 3.08 -2.089630523e+00 3.10 -2.045994193e+00 3.12 -2.002944448e+00 3.14 -1.960491907e+00 3.16 -1.918645493e+00 3.18 -1.877412581e+00 3.20 -1.836799127e+00 3.22 -1.796809791e+00 3.24 -1.757448051e+00 3.26 -1.718716299e+00 3.28 -1.680615943e+00 3.30 -1.643147486e+00 3.32 -1.606310607e+00 3.34 -1.570104233e+00 3.36 -1.534526606e+00 3.38 -1.499575343e+00 3.40 -1.465247492e+00 3.42 -1.431539584e+00 3.44 -1.398447678e+00 3.46 -1.365967406e+00 3.48 -1.334094013e+00 3.50 -1.302822392e+00 3.52 -1.272147120e+00 3.54 -1.242062488e+00 3.56 -1.212562529e+00 3.58 -1.183641045e+00 3.60 -1.155291632e+00 3.62 -1.127507701e+00 3.64 -1.100282499e+00 3.66 -1.073609131e+00 3.68 -1.047480575e+00 3.70 -1.021889697e+00 3.72 -9.968292701e-01 3.74 -9.722919864e-01 3.76 -9.482704699e-01 3.78 -9.247572892e-01 3.80 -9.017449686e-01 3.82 -8.792259985e-01 3.84 -8.571928446e-01 3.86 -8.356379577e-01 3.88 -8.145537815e-01 3.90 -7.939327601e-01 3.92 -7.737673459e-01 3.94 -7.540500058e-01 3.96 -7.347732273e-01 3.98 -7.159295247e-01 4.00 -6.975114442e-01 4.02 -6.795115687e-01 4.04 -6.619225229e-01 4.06 -6.447369770e-01 4.08 -6.279476512e-01 4.10 -6.115473191e-01 4.12 -5.955288111e-01 4.14 -5.798850177e-01 4.16 -5.646088922e-01 4.18 -5.496934538e-01 4.20 -5.351317894e-01 4.22 -5.209170565e-01 4.24 -5.070424849e-01 4.26 -4.934056529e-01 4.28 -4.780980009e-01 4.30 -4.560390372e-01 4.32 -4.267322050e-01 4.34 -4.111259982e-01 4.36 -4.004812012e-01 4.38 -3.900849826e-01 4.40 -3.799325587e-01 4.42 -3.700191998e-01 4.44 -3.603402311e-01 4.46 -3.508910334e-01 4.48 -3.416670436e-01 4.50 -3.326637558e-01 4.52 -3.238767217e-01 4.54 -3.153015507e-01 4.56 -3.069339112e-01 4.58 -2.987695302e-01 4.60 -2.908041940e-01 4.62 -2.830337486e-01 4.64 -2.754540996e-01 4.66 -2.680612128e-01 4.68 -2.608511137e-01 4.70 -2.538198884e-01 4.72 -2.469636830e-01 4.74 -2.402787038e-01 4.76 -2.337612173e-01 4.78 -2.274075500e-01 4.80 -2.212140885e-01 4.82 -2.151772790e-01 4.84 -2.092936272e-01 4.86 -2.035596984e-01 4.88 -1.979721166e-01 4.90 -1.925275649e-01 4.92 -1.867682555e-01 4.94 -1.750099242e-01 4.96 -1.430500351e-01 4.98 -7.514981586e-02 5.00 -5.275582660e-23 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