# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2020--Byggmastar-J-Granberg-F--Fe # implementation = 2020--Byggmastar-J--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 3.989713021e+05 0.04 1.675170767e+05 0.06 9.547916943e+04 0.08 6.203310507e+04 0.10 4.340869925e+04 0.12 3.187316953e+04 0.14 2.420854292e+04 0.16 1.885627046e+04 0.18 1.497811012e+04 0.20 1.208694273e+04 0.22 9.882304354e+03 0.24 8.169908713e+03 0.26 6.819251233e+03 0.28 5.739894127e+03 0.30 4.867522961e+03 0.32 4.155396286e+03 0.34 3.568911019e+03 0.36 3.082040214e+03 0.38 2.674935267e+03 0.40 2.332274272e+03 0.42 2.042101237e+03 0.44 1.794995771e+03 0.46 1.583469851e+03 0.48 1.401523484e+03 0.50 1.244313349e+03 0.52 1.107902959e+03 0.54 9.890723727e+02 0.56 8.851719554e+02 0.58 7.940090431e+02 0.60 7.137594313e+02 0.62 6.428977587e+02 0.64 5.801423878e+02 0.66 5.244114933e+02 0.68 4.747878738e+02 0.70 4.304906000e+02 0.72 3.908520518e+02 0.74 3.552992289e+02 0.76 3.233384700e+02 0.78 2.945429056e+02 0.80 2.685421162e+02 0.82 2.450135800e+02 0.84 2.236755832e+02 0.86 2.042813347e+02 0.88 1.866140819e+02 0.90 1.704830672e+02 0.92 1.557201988e+02 0.94 1.421773370e+02 0.96 1.297241131e+02 0.98 1.182462101e+02 1.00 1.076440354e+02 1.02 9.783171039e+01 1.04 8.873627994e+01 1.06 8.029702766e+01 1.08 7.246475266e+01 1.10 6.520085236e+01 1.12 5.847606403e+01 1.14 5.226876608e+01 1.16 4.656283116e+01 1.18 4.134514831e+01 1.20 3.660305811e+01 1.22 3.232202962e+01 1.24 2.848391006e+01 1.26 2.506598562e+01 1.28 2.204092840e+01 1.30 1.937752503e+01 1.32 1.704194624e+01 1.34 1.499925779e+01 1.36 1.321489595e+01 1.38 1.165590714e+01 1.40 1.029184789e+01 1.42 9.095326476e+00 1.44 8.042226827e+00 1.46 7.111685384e+00 1.48 6.285898332e+00 1.50 5.549828785e+00 1.52 4.890868772e+00 1.54 4.298494850e+00 1.56 3.763942034e+00 1.58 3.279909656e+00 1.60 2.840304915e+00 1.62 2.440024781e+00 1.64 2.074773900e+00 1.66 1.740914650e+00 1.68 1.435344929e+00 1.70 1.155399275e+00 1.72 8.987692946e-01 1.74 6.634398302e-01 1.76 4.476378436e-01 1.78 2.497915003e-01 1.80 6.849738383e-02 1.82 -9.750582694e-02 1.84 -2.493585593e-01 1.86 -3.880974926e-01 1.88 -5.146694956e-01 1.90 -6.299430219e-01 1.92 -7.347174905e-01 1.94 -8.297310648e-01 1.96 -9.156671548e-01 1.98 -9.931598982e-01 2.00 -1.062798822e+00 2.02 -1.125132840e+00 2.04 -1.180673715e+00 2.06 -1.229899082e+00 2.08 -1.273255102e+00 2.10 -1.311158829e+00 2.12 -1.344000318e+00 2.14 -1.372144520e+00 2.16 -1.395933006e+00 2.18 -1.415685529e+00 2.20 -1.431701457e+00 2.22 -1.444261088e+00 2.24 -1.453626869e+00 2.26 -1.460044511e+00 2.28 -1.463744039e+00 2.30 -1.464940757e+00 2.32 -1.463836154e+00 2.34 -1.460618750e+00 2.36 -1.455464881e+00 2.38 -1.448539442e+00 2.40 -1.439996580e+00 2.42 -1.429980340e+00 2.44 -1.418625281e+00 2.46 -1.406057045e+00 2.48 -1.392392899e+00 2.50 -1.377742238e+00 2.52 -1.362207065e+00 2.54 -1.345882439e+00 2.56 -1.328856894e+00 2.58 -1.311212840e+00 2.60 -1.293026933e+00 2.62 -1.274370431e+00 2.64 -1.255309521e+00 2.66 -1.235905635e+00 2.68 -1.216215739e+00 2.70 -1.196292614e+00 2.72 -1.176185113e+00 2.74 -1.155938407e+00 2.76 -1.135594217e+00 2.78 -1.115191028e+00 2.80 -1.094764297e+00 2.82 -1.074346641e+00 2.84 -1.053968023e+00 2.86 -1.033655918e+00 2.88 -1.013435476e+00 2.90 -9.933296681e-01 2.92 -9.733594362e-01 2.94 -9.535438190e-01 2.96 -9.339000809e-01 2.98 -9.144438290e-01 3.00 -8.951891241e-01 3.02 -8.761485846e-01 3.04 -8.573334848e-01 3.06 -8.387538463e-01 3.08 -8.153681684e-01 3.10 -7.827007500e-01 3.12 -7.417576245e-01 3.14 -6.937138808e-01 3.16 -6.398757987e-01 3.18 -5.816413321e-01 3.20 -5.204600592e-01 3.22 -4.577936768e-01 3.24 -3.950780455e-01 3.26 -3.336877021e-01 3.28 -2.749036423e-01 3.30 -2.198850516e-01 3.32 -1.696455240e-01 3.34 -1.250341634e-01 3.36 -8.672181539e-02 3.38 -5.519253025e-02 3.40 -3.074021872e-02 3.42 -1.347032696e-02 3.44 -3.306238171e-03 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 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