# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--Cr # implementation = 2001--Lee-B-J--Cr--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Cr Cr 0.02 -5.187444954e+01 0.04 -4.586339903e+01 0.06 -4.066640003e+01 0.08 -3.614122124e+01 0.10 -3.217733635e+01 0.12 -2.868803775e+01 0.14 -2.560456486e+01 0.16 -2.287173278e+01 0.18 -2.044467738e+01 0.20 -1.828643060e+01 0.22 -1.636611236e+01 0.24 -1.465758041e+01 0.26 -1.313841985e+01 0.28 -1.178918446e+01 0.30 -1.059282484e+01 0.32 -9.534254825e+00 0.34 -8.600020590e+00 0.36 -7.778045800e+00 0.38 -7.057433339e+00 0.40 -6.428309125e+00 0.42 -5.881697361e+00 0.44 -5.409419369e+00 0.46 -5.004010212e+00 0.48 -4.658648839e+00 0.50 -4.367098613e+00 0.52 -4.123655902e+00 0.54 -3.923105025e+00 0.56 -3.760678264e+00 0.58 -3.632020027e+00 0.60 -3.533154419e+00 0.62 -3.460455714e+00 0.64 -3.410621305e+00 0.66 -3.380646820e+00 0.68 -3.367803146e+00 0.70 -3.369615185e+00 0.72 -3.383842152e+00 0.74 -3.408459298e+00 0.76 -3.441640939e+00 0.78 -3.481744684e+00 0.80 -3.527296786e+00 0.82 -3.576978528e+00 0.84 -3.629613576e+00 0.86 -3.684156233e+00 0.88 -3.739680537e+00 0.90 -3.795370143e+00 0.92 -3.850508938e+00 0.94 -3.904472342e+00 0.96 -3.956719254e+00 0.98 -4.006784586e+00 1.00 -4.054272363e+00 1.02 -4.098849338e+00 1.04 -4.140239097e+00 1.06 -4.178216613e+00 1.08 -4.212603222e+00 1.10 -4.243261989e+00 1.12 -4.270093448e+00 1.14 -4.293031672e+00 1.16 -4.312040663e+00 1.18 -4.327111040e+00 1.20 -4.338256993e+00 1.22 -4.345513495e+00 1.24 -4.348933752e+00 1.26 -4.348586862e+00 1.28 -4.344555687e+00 1.30 -4.336934906e+00 1.32 -4.325829244e+00 1.34 -4.311351863e+00 1.36 -4.293622900e+00 1.38 -4.272768141e+00 1.40 -4.248917825e+00 1.42 -4.222205569e+00 1.44 -4.192767386e+00 1.46 -4.160740825e+00 1.48 -4.126264182e+00 1.50 -4.089475809e+00 1.52 -4.050513493e+00 1.54 -4.009513911e+00 1.56 -3.966612152e+00 1.58 -3.921941288e+00 1.60 -3.875632014e+00 1.62 -3.827812329e+00 1.64 -3.778607266e+00 1.66 -3.728138663e+00 1.68 -3.676524973e+00 1.70 -3.623881107e+00 1.72 -3.570318308e+00 1.74 -3.515944056e+00 1.76 -3.460861999e+00 1.78 -3.405171899e+00 1.80 -3.348969612e+00 1.82 -3.292347074e+00 1.84 -3.235392311e+00 1.86 -3.178189463e+00 1.88 -3.120818819e+00 1.90 -3.063356865e+00 1.92 -3.005876340e+00 1.94 -2.948446304e+00 1.96 -2.891132214e+00 1.98 -2.833996002e+00 2.00 -2.777096163e+00 2.02 -2.720487847e+00 2.04 -2.664222952e+00 2.06 -2.608350226e+00 2.08 -2.552915363e+00 2.10 -2.497961110e+00 2.12 -2.443527370e+00 2.14 -2.389651306e+00 2.16 -2.336367446e+00 2.18 -2.283707790e+00 2.20 -2.231701913e+00 2.22 -2.180377069e+00 2.24 -2.129758298e+00 2.26 -2.079868522e+00 2.28 -2.030728648e+00 2.30 -1.982357668e+00 2.32 -1.934772752e+00 2.34 -1.887989346e+00 2.36 -1.842021260e+00 2.38 -1.796880761e+00 2.40 -1.752578660e+00 2.42 -1.709124391e+00 2.44 -1.666526098e+00 2.46 -1.624790710e+00 2.48 -1.583924013e+00 2.50 -1.543930724e+00 2.52 -1.504814558e+00 2.54 -1.466578283e+00 2.56 -1.429223787e+00 2.58 -1.392752120e+00 2.60 -1.357163546e+00 2.62 -1.322457576e+00 2.64 -1.288633002e+00 2.66 -1.255687916e+00 2.68 -1.223619717e+00 2.70 -1.192425112e+00 2.72 -1.162100092e+00 2.74 -1.132639901e+00 2.76 -1.104038970e+00 2.78 -1.076290840e+00 2.80 -1.049388039e+00 2.82 -1.023321941e+00 2.84 -9.980825665e-01 2.86 -9.736583438e-01 2.88 -9.500358155e-01 2.90 -9.271992798e-01 2.92 -9.051303680e-01 2.94 -8.838075525e-01 2.96 -8.632055888e-01 2.98 -8.432949002e-01 3.00 -8.240409276e-01 3.02 -8.054034804e-01 3.04 -7.873361448e-01 3.06 -7.697858343e-01 3.08 -7.526925922e-01 3.10 -7.359897870e-01 3.12 -7.196048582e-01 3.14 -7.034607762e-01 3.16 -6.874783457e-01 3.18 -6.715794096e-01 3.20 -6.556908824e-01 3.22 -6.397493631e-01 3.24 -6.237058803e-01 3.26 -6.075301445e-01 3.28 -5.912135969e-01 3.30 -5.747706029e-01 3.32 -5.582373745e-01 3.34 -5.416685819e-01 3.36 -5.251320536e-01 3.38 -5.087023375e-01 3.40 -4.924540915e-01 3.42 -4.764562557e-01 3.44 -4.607677199e-01 3.46 -4.454348526e-01 3.48 -4.304908737e-01 3.50 -4.159567477e-01 3.52 -4.006961599e-01 3.54 -3.705485364e-01 3.56 -2.921580560e-01 3.58 -1.396699386e-01 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 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00