# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2023--Jana-R-Caro-M-A--Fe # implementation = 2023--Jana-R--Fe--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 2023-10-24 r 26 26 0.02 1.190157595e+04 0.04 1.083759786e+04 0.06 9.773370604e+03 0.08 8.708818436e+03 0.10 7.643871087e+03 0.12 6.584702287e+03 0.14 5.562443323e+03 0.16 4.614471418e+03 0.18 3.778173008e+03 0.20 3.090944309e+03 0.22 2.577575118e+03 0.24 2.212399274e+03 0.26 1.957143707e+03 0.28 1.773544115e+03 0.30 1.623343769e+03 0.32 1.475459710e+03 0.34 1.327484103e+03 0.36 1.184179843e+03 0.38 1.050311744e+03 0.40 9.306458240e+02 0.42 8.286460719e+02 0.44 7.425655562e+02 0.46 6.693561239e+02 0.48 6.059719169e+02 0.50 5.493694581e+02 0.52 4.970215495e+02 0.54 4.484593352e+02 0.56 4.037275890e+02 0.58 3.628685756e+02 0.60 3.259204001e+02 0.62 2.928413425e+02 0.64 2.632859618e+02 0.66 2.368279668e+02 0.68 2.130348438e+02 0.70 1.914684971e+02 0.72 1.717450821e+02 0.74 1.537128500e+02 0.76 1.372763172e+02 0.78 1.223382639e+02 0.80 1.088005653e+02 0.82 9.656199678e+01 0.84 8.551011672e+01 0.86 7.553032937e+01 0.88 6.650903173e+01 0.90 5.833374074e+01 0.92 5.090600477e+01 0.94 4.418001894e+01 0.96 3.812373255e+01 0.98 3.270570305e+01 1.00 2.789481878e+01 1.02 2.365561801e+01 1.04 1.993483425e+01 1.06 1.667436385e+01 1.08 1.381550113e+01 1.10 1.129884846e+01 1.12 9.070943431e+00 1.14 7.104241315e+00 1.16 5.377298255e+00 1.18 3.868282702e+00 1.20 2.555153921e+00 1.22 1.415014510e+00 1.24 4.217885716e-01 1.26 -4.511343789e-01 1.28 -1.229952509e+00 1.30 -1.940374791e+00 1.32 -2.603251341e+00 1.34 -3.221576169e+00 1.36 -3.793508486e+00 1.38 -4.316752482e+00 1.40 -4.788618528e+00 1.42 -5.207789051e+00 1.44 -5.579481800e+00 1.46 -5.910404027e+00 1.48 -6.207094556e+00 1.50 -6.475951998e+00 1.52 -6.722652542e+00 1.54 -6.950362616e+00 1.56 -7.161525822e+00 1.58 -7.358453031e+00 1.60 -7.543317452e+00 1.62 -7.717879273e+00 1.64 -7.882666643e+00 1.66 -8.037831308e+00 1.68 -8.183464141e+00 1.70 -8.319646937e+00 1.72 -8.446248549e+00 1.74 -8.562195146e+00 1.76 -8.666344974e+00 1.78 -8.757828204e+00 1.80 -8.836113888e+00 1.82 -8.901209117e+00 1.84 -8.954129384e+00 1.86 -8.996496228e+00 1.88 -9.030401984e+00 1.90 -9.058398740e+00 1.92 -9.083150487e+00 1.94 -9.106431176e+00 1.96 -9.130025603e+00 1.98 -9.155982355e+00 2.00 -9.186541843e+00 2.02 -9.212658637e+00 2.04 -9.225109270e+00 2.06 -9.225941026e+00 2.08 -9.217120895e+00 2.10 -9.200486271e+00 2.12 -9.177706922e+00 2.14 -9.150258884e+00 2.16 -9.119410154e+00 2.18 -9.086217503e+00 2.20 -9.051533085e+00 2.22 -9.016019187e+00 2.24 -8.980169131e+00 2.26 -8.944332256e+00 2.28 -8.908740904e+00 2.30 -8.873537507e+00 2.32 -8.838800097e+00 2.34 -8.804564951e+00 2.36 -8.770845386e+00 2.38 -8.737646209e+00 2.40 -8.704973653e+00 2.42 -8.672840985e+00 2.44 -8.641270302e+00 2.46 -8.610291185e+00 2.48 -8.579937094e+00 2.50 -8.550240365e+00 2.52 -8.521226723e+00 2.54 -8.492910098e+00 2.56 -8.465288407e+00 2.58 -8.438340806e+00 2.60 -8.412026710e+00 2.62 -8.386286680e+00 2.64 -8.361045099e+00 2.66 -8.336214402e+00 2.68 -8.311700468e+00 2.70 -8.287408725e+00 2.72 -8.263250455e+00 2.74 -8.239148782e+00 2.76 -8.215043870e+00 2.78 -8.190896936e+00 2.80 -8.166692775e+00 2.82 -8.142440611e+00 2.84 -8.118173239e+00 2.86 -8.093944523e+00 2.88 -8.069825453e+00 2.90 -8.045899058e+00 2.92 -8.022254288e+00 2.94 -7.998981628e+00 2.96 -7.976163271e+00 2.98 -7.953870425e+00 3.00 -7.932157714e+00 3.02 -7.911059591e+00 3.04 -7.890588159e+00 3.06 -7.870732503e+00 3.08 -7.851459572e+00 3.10 -7.832716505e+00 3.12 -7.814434222e+00 3.14 -7.796532027e+00 3.16 -7.778922890e+00 3.18 -7.761519057e+00 3.20 -7.744237611e+00 3.22 -7.727008057e+00 3.24 -7.709766542e+00 3.26 -7.692475456e+00 3.28 -7.675114219e+00 3.30 -7.657683259e+00 3.32 -7.640203584e+00 3.34 -7.622715069e+00 3.36 -7.605273602e+00 3.38 -7.587947269e+00 3.40 -7.570811869e+00 3.42 -7.553946032e+00 3.44 -7.537426267e+00 3.46 -7.521322225e+00 3.48 -7.505692495e+00 3.50 -7.490581145e+00 3.52 -7.476015214e+00 3.54 -7.462003277e+00 3.56 -7.448535140e+00 3.58 -7.435582641e+00 3.60 -7.423101479e+00 3.62 -7.411033936e+00 3.64 -7.399312275e+00 3.66 -7.387862615e+00 3.68 -7.376609012e+00 3.70 -7.365477509e+00 3.72 -7.354399915e+00 3.74 -7.343317088e+00 3.76 -7.332181574e+00 3.78 -7.320959448e+00 3.80 -7.309631308e+00 3.82 -7.298192397e+00 3.84 -7.286651889e+00 3.86 -7.275031435e+00 3.88 -7.263363093e+00 3.90 -7.251686809e+00 3.92 -7.240047619e+00 3.94 -7.228492775e+00 3.96 -7.217068971e+00 3.98 -7.205819831e+00 4.00 -7.194783799e+00 4.02 -7.183992554e+00 4.04 -7.173469987e+00 4.06 -7.163231787e+00 4.08 -7.153285609e+00 4.10 -7.143631771e+00 4.12 -7.134264388e+00 4.14 -7.125172839e+00 4.16 -7.116343435e+00 4.18 -7.107761158e+00 4.20 -7.099411327e+00 4.22 -7.091281096e+00 4.24 -7.083360676e+00 4.26 -7.075644196e+00 4.28 -7.068130193e+00 4.30 -7.060821689e+00 4.32 -7.053725906e+00 4.34 -7.046853645e+00 4.36 -7.040218416e+00 4.38 -7.033835400e+00 4.40 -7.027720350e+00 4.42 -7.021888512e+00 4.44 -7.016353674e+00 4.46 -7.011127410e+00 4.48 -7.006218569e+00 4.50 -7.001633042e+00 4.52 -6.997338434e+00 4.54 -6.993313246e+00 4.56 -6.989573594e+00 4.58 -6.986130354e+00 4.60 -6.982989236e+00 4.62 -6.980150891e+00 4.64 -6.977610915e+00 4.66 -6.975359738e+00 4.68 -6.973382444e+00 4.70 -6.971658692e+00 4.72 -6.970162949e+00 4.74 -6.968865273e+00 4.76 -6.967732850e+00 4.78 -6.966732350e+00 4.80 -6.965833031e+00 4.82 -6.965010278e+00 4.84 -6.964249040e+00 4.86 -6.963546445e+00 4.88 -6.962912687e+00 4.90 -6.962369276e+00 4.92 -6.961943802e+00 4.94 -6.961660580e+00 4.96 -6.961526939e+00 4.98 -6.961515389e+00 5.00 -6.961542472e+00 5.02 -6.961542472e+00 5.04 -6.961542472e+00 5.06 -6.961542472e+00 5.08 -6.961542472e+00 5.10 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