# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2005--Dudarev-S-L-Derlet-P-M--Fe # implementation = EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002 # 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 2024-11-27 r Fe Fe 0.02 3.997147191e+05 0.04 1.680685578e+05 0.06 9.590467549e+04 0.08 6.237206952e+04 0.10 4.368550922e+04 0.12 3.210344676e+04 0.14 2.440270059e+04 0.16 1.902155213e+04 0.18 1.511977227e+04 0.20 1.220895064e+04 0.22 9.987749914e+03 0.24 8.261267630e+03 0.26 6.898546634e+03 0.28 5.808804534e+03 0.30 4.927456553e+03 0.32 4.207544132e+03 0.34 3.614286720e+03 0.36 3.121510436e+03 0.38 2.709243889e+03 0.40 2.362061901e+03 0.42 2.067921209e+03 0.44 1.817327434e+03 0.46 1.602729674e+03 0.48 1.418074409e+03 0.50 1.258472699e+03 0.52 1.119949142e+03 0.54 9.992505941e+02 0.56 8.936990942e+02 0.58 8.010778234e+02 0.60 7.195420071e+02 0.62 6.475488029e+02 0.64 5.838017650e+02 0.66 5.272065832e+02 0.68 4.768356003e+02 0.70 4.318992138e+02 0.72 3.917227042e+02 0.74 3.557273692e+02 0.76 3.234150908e+02 0.78 2.943556538e+02 0.80 2.681762807e+02 0.82 2.445529592e+02 0.84 2.232032270e+02 0.86 2.038801461e+02 0.88 1.863672506e+02 0.90 1.704742970e+02 0.92 1.560336763e+02 0.94 1.428973739e+02 0.96 1.309343871e+02 0.98 1.200285221e+02 1.00 1.100765109e+02 1.02 1.009863957e+02 1.04 9.267613905e+01 1.06 8.507242505e+01 1.08 7.810962245e+01 1.10 7.172888532e+01 1.12 6.587737126e+01 1.14 6.050755992e+01 1.16 5.557665773e+01 1.18 5.104607673e+01 1.20 4.688097710e+01 1.22 4.304986504e+01 1.24 3.952423834e+01 1.26 3.627827349e+01 1.28 3.328854898e+01 1.30 3.053380000e+01 1.32 2.799470081e+01 1.34 2.565367118e+01 1.36 2.349470399e+01 1.38 2.150321157e+01 1.40 1.966588828e+01 1.42 1.797058774e+01 1.44 1.640621276e+01 1.46 1.496261667e+01 1.48 1.363007313e+01 1.50 1.239714893e+01 1.52 1.125559105e+01 1.54 1.019834749e+01 1.56 9.218954061e+00 1.58 8.311481948e+00 1.60 7.470490183e+00 1.62 6.690982729e+00 1.64 5.968369568e+00 1.66 5.298431434e+00 1.68 4.677287797e+00 1.70 4.101367775e+00 1.72 3.567383674e+00 1.74 3.072306890e+00 1.76 2.613345936e+00 1.78 2.187926378e+00 1.80 1.793672476e+00 1.82 1.424868221e+00 1.84 1.056906125e+00 1.86 6.722861354e-01 1.88 2.605149304e-01 1.90 -1.815297688e-01 1.92 -6.504350183e-01 1.94 -1.137088658e+00 1.96 -1.627515542e+00 1.98 -2.103714028e+00 2.00 -2.544492784e+00 2.02 -2.931099134e+00 2.04 -3.262773515e+00 2.06 -3.543439364e+00 2.08 -3.777043402e+00 2.10 -3.967560197e+00 2.12 -4.118997505e+00 2.14 -4.235402446e+00 2.16 -4.320868521e+00 2.18 -4.379543366e+00 2.20 -4.415636969e+00 2.22 -4.433429811e+00 2.24 -4.437280000e+00 2.26 -4.431627926e+00 2.28 -4.420996344e+00 2.30 -4.409983194e+00 2.32 -4.402300510e+00 2.34 -4.397842780e+00 2.36 -4.395378730e+00 2.38 -4.393488257e+00 2.40 -4.390572987e+00 2.42 -4.385187800e+00 2.44 -4.377093277e+00 2.46 -4.366361866e+00 2.48 -4.353059094e+00 2.50 -4.337242193e+00 2.52 -4.318958336e+00 2.54 -4.298242313e+00 2.56 -4.275113429e+00 2.58 -4.249571300e+00 2.60 -4.221590013e+00 2.62 -4.191124037e+00 2.64 -4.158159979e+00 2.66 -4.122705414e+00 2.68 -4.084785882e+00 2.70 -4.044455364e+00 2.72 -4.001812578e+00 2.74 -3.957025065e+00 2.76 -3.910238022e+00 2.78 -3.861477294e+00 2.80 -3.810809727e+00 2.82 -3.758403896e+00 2.84 -3.704626392e+00 2.86 -3.650260669e+00 2.88 -3.596879164e+00 2.90 -3.545619674e+00 2.92 -3.496963922e+00 2.94 -3.451687701e+00 2.96 -3.410879867e+00 2.98 -3.376237000e+00 3.00 -2.207398783e-01 3.02 -2.096120537e-01 3.04 -1.978983475e-01 3.06 -1.857723401e-01 3.08 -1.734076119e-01 3.10 -1.609777434e-01 3.12 -1.486563150e-01 3.14 -1.366169071e-01 3.16 -1.250331000e-01 3.18 -1.140784743e-01 3.20 -1.039266102e-01 3.22 -9.471149710e-02 3.24 -8.640875896e-02 3.26 -7.895442872e-02 3.28 -7.228453922e-02 3.30 -6.633512336e-02 3.32 -6.104221401e-02 3.34 -5.634184403e-02 3.36 -5.217004631e-02 3.38 -4.846285371e-02 3.40 -4.515629912e-02 3.42 -4.218641540e-02 3.44 -3.948923543e-02 3.46 -3.700079208e-02 3.48 -3.465711822e-02 3.50 -3.239424674e-02 3.52 -3.016025317e-02 3.54 -2.795138374e-02 3.56 -2.577592732e-02 3.58 -2.364217281e-02 3.60 -2.155840909e-02 3.62 -1.953292506e-02 3.64 -1.757400959e-02 3.66 -1.568995159e-02 3.68 -1.388903992e-02 3.70 -1.217956349e-02 3.72 -1.056981117e-02 3.74 -9.068071862e-03 3.76 -7.682634446e-03 3.78 -6.421787812e-03 3.80 -5.293820846e-03 3.82 -4.304072415e-03 3.84 -3.446081303e-03 3.86 -2.710436273e-03 3.88 -2.087726088e-03 3.90 -1.568539510e-03 3.92 -1.143465303e-03 3.94 -8.030922291e-04 3.96 -5.380090519e-04 3.98 -3.388045341e-04 4.00 -1.960674387e-04 4.02 -1.003865286e-04 4.04 -4.235056677e-05 4.06 -1.254831608e-05 4.08 -1.568539510e-06 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