# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2007--Muller-M-Erhart-P-Albe-K--Fe # implementation = Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_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 8.351062149e+02 0.04 7.870032421e+02 0.06 7.416143214e+02 0.08 6.987878018e+02 0.10 6.583804667e+02 0.12 6.202570658e+02 0.14 5.842898727e+02 0.16 5.503582677e+02 0.18 5.183483432e+02 0.20 4.881525311e+02 0.22 4.596692511e+02 0.24 4.328025781e+02 0.26 4.074619283e+02 0.28 3.835617626e+02 0.30 3.610213067e+02 0.32 3.397642862e+02 0.34 3.197186767e+02 0.36 3.008164681e+02 0.38 2.829934414e+02 0.40 2.661889579e+02 0.42 2.503457605e+02 0.44 2.354097860e+02 0.46 2.213299872e+02 0.48 2.080581656e+02 0.50 1.955488129e+02 0.52 1.837589615e+02 0.54 1.726480434e+02 0.56 1.621777565e+02 0.58 1.523119388e+02 0.60 1.430164495e+02 0.62 1.342590561e+02 0.64 1.260093288e+02 0.66 1.182385399e+02 0.68 1.109195691e+02 0.70 1.040268140e+02 0.72 9.753610594e+01 0.74 9.142462969e+01 0.76 8.567084847e+01 0.78 8.025443258e+01 0.80 7.515619221e+01 0.82 7.035801394e+01 0.84 6.584280077e+01 0.86 6.159441544e+01 0.88 5.759762698e+01 0.90 5.383806014e+01 0.92 5.030214772e+01 0.94 4.697708544e+01 0.96 4.385078944e+01 0.98 4.091185604e+01 1.00 3.814952379e+01 1.02 3.555363761e+01 1.04 3.311461493e+01 1.06 3.082341375e+01 1.08 2.867150236e+01 1.10 2.665083089e+01 1.12 2.475380436e+01 1.14 2.297325723e+01 1.16 2.130242937e+01 1.18 1.973494343e+01 1.20 1.826478334e+01 1.22 1.688627415e+01 1.24 1.559406288e+01 1.26 1.438310053e+01 1.28 1.324862497e+01 1.30 1.218614493e+01 1.32 1.119142479e+01 1.34 1.026047018e+01 1.36 9.389514517e+00 1.38 8.575006173e+00 1.40 7.813596400e+00 1.42 7.102127931e+00 1.44 6.437624220e+00 1.46 5.817279265e+00 1.48 5.238448016e+00 1.50 4.698637309e+00 1.52 4.195497309e+00 1.54 3.726813430e+00 1.56 3.290498708e+00 1.58 2.884586597e+00 1.60 2.507224171e+00 1.62 2.156665704e+00 1.64 1.831266608e+00 1.66 1.529477714e+00 1.68 1.249839869e+00 1.70 9.909788334e-01 1.72 7.516004743e-01 1.74 5.304862155e-01 1.76 3.264887500e-01 1.78 1.385279909e-01 1.80 -3.441275175e-02 1.82 -1.932903778e-01 1.84 -3.390054032e-01 1.86 -4.724051741e-01 1.88 -5.942869006e-01 1.90 -7.054005203e-01 1.92 -8.064514005e-01 1.94 -8.981028894e-01 1.96 -9.809787225e-01 1.98 -1.055665295e+00 2.00 -1.122713803e+00 2.02 -1.182642272e+00 2.04 -1.235937459e+00 2.06 -1.283056659e+00 2.08 -1.324429401e+00 2.10 -1.360459055e+00 2.12 -1.391524343e+00 2.14 -1.417980767e+00 2.16 -1.440161954e+00 2.18 -1.458380931e+00 2.20 -1.472931320e+00 2.22 -1.484088467e+00 2.24 -1.492110516e+00 2.26 -1.497239406e+00 2.28 -1.499701826e+00 2.30 -1.499710106e+00 2.32 -1.497463065e+00 2.34 -1.493146804e+00 2.36 -1.486935456e+00 2.38 -1.478991896e+00 2.40 -1.469468408e+00 2.42 -1.458507312e+00 2.44 -1.446241560e+00 2.46 -1.432795293e+00 2.48 -1.418284370e+00 2.50 -1.402816863e+00 2.52 -1.386493526e+00 2.54 -1.369408238e+00 2.56 -1.351648417e+00 2.58 -1.333295413e+00 2.60 -1.314424875e+00 2.62 -1.295107103e+00 2.64 -1.275407374e+00 2.66 -1.255386250e+00 2.68 -1.235099869e+00 2.70 -1.214600220e+00 2.72 -1.193935400e+00 2.74 -1.173149860e+00 2.76 -1.152284628e+00 2.78 -1.131377529e+00 2.80 -1.110463388e+00 2.82 -1.089574216e+00 2.84 -1.068739395e+00 2.86 -1.047985845e+00 2.88 -1.027338181e+00 2.90 -1.006818868e+00 2.92 -9.864483538e-01 2.94 -9.662452087e-01 2.96 -9.447677958e-01 2.98 -9.136082944e-01 3.00 -8.722870125e-01 3.02 -8.220337161e-01 3.04 -7.642568157e-01 3.06 -7.004990347e-01 3.08 -6.323915713e-01 3.10 -5.616080444e-01 3.12 -4.898194542e-01 3.14 -4.186512999e-01 3.16 -3.496438788e-01 3.18 -2.842166587e-01 3.20 -2.236374586e-01 3.22 -1.689970108e-01 3.24 -1.211893069e-01 3.26 -8.089795546e-02 3.28 -4.858861158e-02 3.30 -2.450737718e-02 3.32 -8.684917662e-03 3.34 -9.459066426e-04 3.36 0.000000000e+00 3.38 0.000000000e+00 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 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