# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1997--Ackland-G-J-Bacon-D-J-Calder-A-F-Harry-T--Fe # implementation = 1997--Ackland-G-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 4.367544468e+13 0.04 1.867544468e+13 0.06 1.034211135e+13 0.08 6.175444683e+12 0.10 2.485438336e+12 0.12 -1.680085358e+06 0.14 -1.507211779e+06 0.16 -1.349341545e+06 0.18 -1.205400616e+06 0.20 -1.074377017e+06 0.22 -9.553180110e+05 0.24 -8.473273521e+05 0.26 -7.495626545e+05 0.28 -6.612328439e+05 0.30 -5.815957054e+05 0.32 -5.099555189e+05 0.34 -4.456607829e+05 0.36 -3.881020218e+05 0.38 -3.367096763e+05 0.40 -2.909520738e+05 0.42 -2.503334767e+05 0.44 -2.143922068e+05 0.46 -1.826988435e+05 0.48 -1.548544930e+05 0.50 -1.304891282e+05 0.52 -1.092599951e+05 0.54 -9.085008600e+04 0.56 -7.496667542e+04 0.58 -6.133991854e+04 0.60 -4.972150937e+04 0.62 -3.988339718e+04 0.64 -3.161655924e+04 0.66 -2.472982832e+04 0.68 -1.904877303e+04 0.70 -1.441462943e+04 0.72 -1.068328231e+04 0.74 -7.724294336e+03 0.76 -5.419981740e+03 0.78 -3.664534778e+03 0.80 -2.363181594e+03 0.82 -1.431393925e+03 0.84 -7.941332445e+02 0.86 -3.851358910e+02 0.88 -1.462358219e+02 0.90 -2.672361981e+01 0.92 1.725956746e+01 0.94 2.329444955e+01 0.96 2.159064011e+01 0.98 2.046243499e+01 1.00 1.944239783e+01 1.02 1.848687638e+01 1.04 1.757941260e+01 1.06 1.671154709e+01 1.08 1.587817597e+01 1.10 1.507589021e+01 1.12 1.430224393e+01 1.14 1.355538558e+01 1.16 1.283385320e+01 1.18 1.213645275e+01 1.20 1.146218137e+01 1.22 1.081017694e+01 1.24 1.017968358e+01 1.26 9.570027442e+00 1.28 8.980599132e+00 1.30 8.410840756e+00 1.32 7.860236147e+00 1.34 7.328303374e+00 1.36 6.814588904e+00 1.38 6.318662990e+00 1.40 5.840116003e+00 1.42 5.378555448e+00 1.44 4.933603541e+00 1.46 4.504895217e+00 1.48 4.092076466e+00 1.50 3.694802950e+00 1.52 3.312738828e+00 1.54 2.945555772e+00 1.56 2.592932117e+00 1.58 2.254552138e+00 1.60 1.930105423e+00 1.62 1.619286326e+00 1.64 1.321793505e+00 1.66 1.037329499e+00 1.68 7.656003708e-01 1.70 5.063153851e-01 1.72 2.591867283e-01 1.74 2.392925350e-02 1.76 -1.997397405e-01 1.78 -4.121007083e-01 1.80 -6.134320383e-01 1.82 -8.040102127e-01 1.84 -9.841099527e-01 1.86 -1.154004349e+00 1.88 -1.313964979e+00 1.90 -1.464262017e+00 1.92 -1.605164329e+00 1.94 -1.736939563e+00 1.96 -1.859854229e+00 1.98 -1.974173775e+00 2.00 -2.080162657e+00 2.02 -2.178084393e+00 2.04 -2.268201634e+00 2.06 -2.350776204e+00 2.08 -2.426069159e+00 2.10 -2.494340823e+00 2.12 -2.555850841e+00 2.14 -2.610858207e+00 2.16 -2.659621309e+00 2.18 -2.702397958e+00 2.20 -2.739445419e+00 2.22 -2.771020442e+00 2.24 -2.797379293e+00 2.26 -2.818777772e+00 2.28 -2.835471242e+00 2.30 -2.847714652e+00 2.32 -2.855762556e+00 2.34 -2.859869137e+00 2.36 -2.860288222e+00 2.38 -2.857273301e+00 2.40 -2.851077549e+00 2.42 -2.841953835e+00 2.44 -2.830154742e+00 2.46 -2.815932583e+00 2.48 -2.799539414e+00 2.50 -2.781204139e+00 2.52 -2.761022469e+00 2.54 -2.739042043e+00 2.56 -2.715310237e+00 2.58 -2.689874236e+00 2.60 -2.662781046e+00 2.62 -2.634077513e+00 2.64 -2.603810330e+00 2.66 -2.572026053e+00 2.68 -2.538770061e+00 2.70 -2.504077019e+00 2.72 -2.467975375e+00 2.74 -2.430493423e+00 2.76 -2.391659395e+00 2.78 -2.351501478e+00 2.80 -2.310047833e+00 2.82 -2.267326619e+00 2.84 -2.223366018e+00 2.86 -2.178195511e+00 2.88 -2.131848298e+00 2.90 -2.084358345e+00 2.92 -2.035759774e+00 2.94 -1.986086905e+00 2.96 -1.935374316e+00 2.98 -1.883656903e+00 3.00 -1.830969958e+00 3.02 -1.777349263e+00 3.04 -1.722831196e+00 3.06 -1.667452865e+00 3.08 -1.611252268e+00 3.10 -1.554268529e+00 3.12 -1.496549850e+00 3.14 -1.438163108e+00 3.16 -1.379179578e+00 3.18 -1.319672868e+00 3.20 -1.259719446e+00 3.22 -1.199399596e+00 3.24 -1.138802790e+00 3.26 -1.078022094e+00 3.28 -1.017151688e+00 3.30 -9.563205009e-01 3.32 -8.956177254e-01 3.34 -8.350446567e-01 3.36 -7.747727119e-01 3.38 -7.133241516e-01 3.40 -6.537975906e-01 3.42 -6.022103651e-01 3.44 -5.537691976e-01 3.46 -4.951579166e-01 3.48 -4.224979704e-01 3.50 -3.403605432e-01 3.52 -2.611732557e-01 3.54 -1.919744612e-01 3.56 -1.352302004e-01 3.58 -9.090128718e-02 3.60 -5.774159388e-02 3.62 -3.405358185e-02 3.64 -1.807914071e-02 3.66 -8.161588186e-03 3.68 -2.778232183e-03 3.70 -5.122130808e-04 3.72 -7.425221987e-06 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