# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Olsson-P-A-T--Fe # implementation = 2009--Olsson-P-A-T--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 2022-05-24 r Fe Fe 0.02 5.191820285e+02 0.04 3.306275821e+02 0.06 2.647519221e+02 0.08 2.296214593e+02 0.10 2.068483446e+02 0.12 1.903023569e+02 0.14 1.773554591e+02 0.16 1.666929365e+02 0.18 1.575837772e+02 0.20 1.495888240e+02 0.22 1.424281160e+02 0.24 1.359145603e+02 0.26 1.299182158e+02 0.28 1.243458850e+02 0.30 1.191288685e+02 0.32 1.142153117e+02 0.34 1.095652530e+02 0.36 1.051473227e+02 0.38 1.009364835e+02 0.40 9.691245026e+01 0.42 9.305856034e+01 0.44 8.936095223e+01 0.46 8.580795868e+01 0.48 8.238965146e+01 0.50 7.909749539e+01 0.52 7.592408227e+01 0.54 7.286292393e+01 0.56 6.990828968e+01 0.58 6.705346374e+01 0.60 6.428894374e+01 0.62 6.161140671e+01 0.64 5.901820518e+01 0.66 5.650684050e+01 0.68 5.407494522e+01 0.70 5.172026815e+01 0.72 4.944066176e+01 0.74 4.723407136e+01 0.76 4.509852591e+01 0.78 4.303213000e+01 0.80 4.103305702e+01 0.82 3.909954314e+01 0.84 3.722988216e+01 0.86 3.542242090e+01 0.88 3.367555527e+01 0.90 3.198772671e+01 0.92 3.035741912e+01 0.94 2.878315608e+01 0.96 2.726349845e+01 0.98 2.579704216e+01 1.00 2.438241629e+01 1.02 2.301828136e+01 1.04 2.170332771e+01 1.06 2.043627415e+01 1.08 1.921586671e+01 1.10 1.804087743e+01 1.12 1.691010342e+01 1.14 1.582236585e+01 1.16 1.477650915e+01 1.18 1.377140022e+01 1.20 1.280592770e+01 1.22 1.187900139e+01 1.24 1.098955159e+01 1.26 1.013652861e+01 1.28 9.318902275e+00 1.30 8.535661424e+00 1.32 7.785813542e+00 1.34 7.068384352e+00 1.36 6.382417462e+00 1.38 5.726974035e+00 1.40 5.101132490e+00 1.42 4.503988212e+00 1.44 3.934653299e+00 1.46 3.392256312e+00 1.48 2.875942055e+00 1.50 2.384871361e+00 1.52 1.918220898e+00 1.54 1.475182985e+00 1.56 1.054965424e+00 1.58 6.567913381e-01 1.60 2.798990237e-01 1.62 -7.645818908e-02 1.64 -4.130120678e-01 1.66 -7.304796000e-01 1.68 -1.029563108e+00 1.70 -1.310950360e+00 1.72 -1.575314666e+00 1.74 -1.823314979e+00 1.76 -2.055595986e+00 1.78 -2.272788187e+00 1.80 -2.475507982e+00 1.82 -2.664357741e+00 1.84 -2.839925882e+00 1.86 -3.002786932e+00 1.88 -3.153501597e+00 1.90 -3.292616820e+00 1.92 -3.420665835e+00 1.94 -3.538168230e+00 1.96 -3.645629991e+00 1.98 -3.743543553e+00 2.00 -3.832387850e+00 2.02 -3.912628354e+00 2.04 -3.984717122e+00 2.06 -4.049092833e+00 2.08 -4.106180825e+00 2.10 -4.156393137e+00 2.12 -4.200128537e+00 2.14 -4.237772557e+00 2.16 -4.269697528e+00 2.18 -4.296262605e+00 2.20 -4.317813798e+00 2.22 -4.334684001e+00 2.24 -4.347193014e+00 2.26 -4.355647572e+00 2.28 -4.360341365e+00 2.30 -4.361555065e+00 2.32 -4.359556346e+00 2.34 -4.354599903e+00 2.36 -4.346927475e+00 2.38 -4.336767864e+00 2.40 -4.324336951e+00 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-2.839731284e+00 3.34 -2.798443224e+00 3.36 -2.756532853e+00 3.38 -2.713971319e+00 3.40 -2.670617286e+00 3.42 -2.626466547e+00 3.44 -2.581510628e+00 3.46 -2.535460294e+00 3.48 -2.488502826e+00 3.50 -2.440761048e+00 3.52 -2.385148400e+00 3.54 -2.326936507e+00 3.56 -2.276198742e+00 3.58 -2.239948721e+00 3.60 -2.226922107e+00 3.62 -2.217222117e+00 3.64 -2.185539270e+00 3.66 -2.116913044e+00 3.68 -2.004618119e+00 3.70 -1.847829914e+00 3.72 -1.655033605e+00 3.74 -1.446862488e+00 3.76 -1.238825379e+00 3.78 -1.041063235e+00 3.80 -8.597018779e-01 3.82 -6.979425178e-01 3.84 -5.569301010e-01 3.86 -4.364286400e-01 3.88 -3.353315145e-01 3.90 -2.520333862e-01 3.92 -1.846886887e-01 3.94 -1.313796687e-01 3.96 -9.021472364e-02 3.98 -5.937535636e-02 4.00 -3.712752522e-02 4.02 -2.181057714e-02 4.04 -1.182950320e-02 4.06 -5.753197397e-03 4.08 -2.389693539e-03 4.10 -7.746845717e-04 4.12 -1.607633602e-04 4.14 -1.176628154e-05 4.16 -2.002739409e-07 4.18 -2.000000000e-07 4.20 -2.000000000e-07 4.22 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