# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Asadi-E-Asle-Zaeem-M-Nouranian-S-Baskes-M-I--Fe # implementation = 2015--Asadi-E--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 3.991738807e+05 0.04 1.675491860e+05 0.06 9.550815342e+04 0.08 6.205993099e+04 0.10 4.343321843e+04 0.12 3.189568290e+04 0.14 2.422927374e+04 0.16 1.887541620e+04 0.18 1.499583353e+04 0.20 1.210337769e+04 0.22 9.897566728e+03 0.24 8.184097121e+03 0.26 6.832453438e+03 0.28 5.752187404e+03 0.30 4.878977147e+03 0.32 4.166074355e+03 0.34 3.578870518e+03 0.36 3.091333923e+03 0.38 2.683611930e+03 0.40 2.340379213e+03 0.42 2.049676794e+03 0.44 1.802081812e+03 0.46 1.590104083e+03 0.48 1.407741868e+03 0.50 1.250150366e+03 0.52 1.113391935e+03 0.54 9.942457308e+02 0.56 8.900614892e+02 0.58 7.986461611e+02 0.60 7.181754047e+02 0.62 6.471239703e+02 0.64 5.842105746e+02 0.66 5.283540057e+02 0.68 4.786379290e+02 0.70 4.342825568e+02 0.72 3.946216820e+02 0.74 3.590840067e+02 0.76 3.271778589e+02 0.78 2.984786499e+02 0.80 2.726185202e+02 0.82 2.492777655e+02 0.84 2.281777049e+02 0.86 2.090747248e+02 0.88 1.917552896e+02 0.90 1.760317418e+02 0.92 1.617387607e+02 0.94 1.487303596e+02 0.96 1.368773366e+02 0.98 1.260651001e+02 1.00 1.161719405e+02 1.02 1.064033121e+02 1.04 9.664604453e+01 1.06 8.716601568e+01 1.08 7.814032537e+01 1.10 6.967941984e+01 1.12 6.184439253e+01 1.14 5.466034862e+01 1.16 4.812668580e+01 1.18 4.222494371e+01 1.20 3.692475662e+01 1.22 3.218832028e+01 1.24 2.797370585e+01 1.26 2.423727945e+01 1.28 2.093543351e+01 1.30 1.802579107e+01 1.32 1.546801033e+01 1.34 1.322428810e+01 1.36 1.125964021e+01 1.38 9.542018224e+00 1.40 8.042309402e+00 1.42 6.734254824e+00 1.44 5.594313224e+00 1.46 4.601490403e+00 1.48 3.737149622e+00 1.50 2.984813987e+00 1.52 2.329968606e+00 1.54 1.759868401e+00 1.56 1.263354824e+00 1.58 8.306843215e-01 1.60 4.533693420e-01 1.62 1.240329152e-01 1.64 -1.637235959e-01 1.66 -4.154396142e-01 1.68 -6.359021752e-01 1.70 -8.292411166e-01 1.72 -9.990135363e-01 1.74 -1.148278450e+00 1.76 -1.279662477e+00 1.78 -1.395417547e+00 1.80 -1.497471335e+00 1.82 -1.587471349e+00 1.84 -1.666823272e+00 1.86 -1.736724331e+00 1.88 -1.798192216e+00 1.90 -1.852090160e+00 1.92 -1.899148626e+00 1.94 -1.939984066e+00 1.96 -1.975115122e+00 1.98 -2.004976627e+00 2.00 -2.029934168e+00 2.02 -2.050314158e+00 2.04 -2.066424385e+00 2.06 -2.078556138e+00 2.08 -2.086985005e+00 2.10 -2.091971634e+00 2.12 -2.093762462e+00 2.14 -2.092590411e+00 2.16 -2.088675546e+00 2.18 -2.082225710e+00 2.20 -2.073437128e+00 2.22 -2.062494978e+00 2.24 -2.049573944e+00 2.26 -2.034838735e+00 2.28 -2.018444587e+00 2.30 -2.000537735e+00 2.32 -1.981255868e+00 2.34 -1.960728562e+00 2.36 -1.939077689e+00 2.38 -1.916417813e+00 2.40 -1.892856560e+00 2.42 -1.868494975e+00 2.44 -1.843427865e+00 2.46 -1.817744116e+00 2.48 -1.791527005e+00 2.50 -1.764854493e+00 2.52 -1.737799500e+00 2.54 -1.710430175e+00 2.56 -1.682810147e+00 2.58 -1.654998765e+00 2.60 -1.627051328e+00 2.62 -1.599019300e+00 2.64 -1.570950521e+00 2.66 -1.542889401e+00 2.68 -1.514877107e+00 2.70 -1.486951743e+00 2.72 -1.459148519e+00 2.74 -1.431499908e+00 2.76 -1.404035805e+00 2.78 -1.376783667e+00 2.80 -1.349768653e+00 2.82 -1.323013753e+00 2.84 -1.296539916e+00 2.86 -1.270366163e+00 2.88 -1.244509704e+00 2.90 -1.218986041e+00 2.92 -1.193809068e+00 2.94 -1.168991170e+00 2.96 -1.144543311e+00 2.98 -1.120475120e+00 3.00 -1.096794976e+00 3.02 -1.073510080e+00 3.04 -1.050626530e+00 3.06 -1.028149394e+00 3.08 -1.006082770e+00 3.10 -9.844298526e-01 3.12 -9.631929898e-01 3.14 -9.423737397e-01 3.16 -9.219729231e-01 3.18 -9.019906738e-01 3.20 -8.824264857e-01 3.22 -8.632792581e-01 3.24 -8.445473379e-01 3.26 -8.262285598e-01 3.28 -8.083202850e-01 3.30 -7.908194363e-01 3.32 -7.737225332e-01 3.34 -7.570257237e-01 3.36 -7.407248150e-01 3.38 -7.248153024e-01 3.40 -7.092923970e-01 3.42 -6.941510515e-01 3.44 -6.793859845e-01 3.46 -6.649917044e-01 3.48 -6.509625309e-01 3.50 -6.372926159e-01 3.52 -6.239759635e-01 3.54 -6.110064485e-01 3.56 -5.983778339e-01 3.58 -5.860837878e-01 3.60 -5.741178990e-01 3.62 -5.624736920e-01 3.64 -5.511446411e-01 3.66 -5.401241836e-01 3.68 -5.294057321e-01 3.70 -5.189826866e-01 3.72 -5.088484453e-01 3.74 -4.989964152e-01 3.76 -4.894064230e-01 3.78 -4.797969996e-01 3.80 -4.692970854e-01 3.82 -4.564590208e-01 3.84 -4.393401243e-01 3.86 -4.156179301e-01 3.88 -3.827718075e-01 3.90 -3.383854040e-01 3.92 -2.806718316e-01 3.94 -2.094344816e-01 3.96 -1.279628881e-01 3.98 -4.729036005e-02 4.00 -1.613548137e-28 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