# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2011--Chiesa-S-Derlet-P-M-Dudarev-S-L-Swygenhoven-H-V--Fe-33 # implementation = 2011--Chiesa-S--Fe-33--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 1.320954716e+02 0.04 1.295636151e+02 0.06 1.270203953e+02 0.08 1.244669908e+02 0.10 1.219045891e+02 0.12 1.193343863e+02 0.14 1.167575859e+02 0.16 1.141753980e+02 0.18 1.115890388e+02 0.20 1.089997290e+02 0.22 1.064086936e+02 0.24 1.038171604e+02 0.26 1.012263593e+02 0.28 9.863752157e+01 0.30 9.605187820e+01 0.32 9.347065942e+01 0.34 9.089509348e+01 0.36 8.832640557e+01 0.38 8.576581678e+01 0.40 8.321454301e+01 0.42 8.067379383e+01 0.44 7.814477142e+01 0.46 7.562866937e+01 0.48 7.312667159e+01 0.50 7.063995110e+01 0.52 6.816966891e+01 0.54 6.571697281e+01 0.56 6.328299623e+01 0.58 6.086885698e+01 0.60 5.847565613e+01 0.62 5.610447678e+01 0.64 5.375638284e+01 0.66 5.143241787e+01 0.68 4.913360387e+01 0.70 4.686094007e+01 0.72 4.461540179e+01 0.74 4.239793918e+01 0.76 4.020947612e+01 0.78 3.805090905e+01 0.80 3.592310577e+01 0.82 3.382690438e+01 0.84 3.176311211e+01 0.86 2.973250427e+01 0.88 2.773582314e+01 0.90 2.577377696e+01 0.92 2.384703888e+01 0.94 2.195624598e+01 0.96 2.010199833e+01 0.98 1.828485804e+01 1.00 1.650534840e+01 1.02 1.476395303e+01 1.04 1.306111504e+01 1.06 1.139723637e+01 1.08 9.772676957e+00 1.10 8.187754197e+00 1.12 6.642742273e+00 1.14 5.137871640e+00 1.16 3.673328540e+00 1.18 2.249505947e+00 1.20 8.835396223e-01 1.22 -4.147766966e-01 1.24 -1.646293297e+00 1.26 -2.811929136e+00 1.28 -3.912671204e+00 1.30 -4.949573755e+00 1.32 -5.923757391e+00 1.34 -6.836407988e+00 1.36 -7.707928774e+00 1.38 -8.573653622e+00 1.40 -9.428382956e+00 1.42 -1.026691041e+01 1.44 -1.108497765e+01 1.46 -1.187911277e+01 1.48 -1.264650463e+01 1.50 -1.338490358e+01 1.52 -1.409254197e+01 1.54 -1.476806958e+01 1.56 -1.541050046e+01 1.58 -1.601916862e+01 1.60 -1.659369064e+01 1.62 -1.713393364e+01 1.64 -1.763998755e+01 1.66 -1.811214080e+01 1.68 -1.855085871e+01 1.70 -1.895676398e+01 1.72 -1.933061901e+01 1.74 -1.967330952e+01 1.76 -1.998582932e+01 1.78 -2.026926598e+01 1.80 -2.052478721e+01 1.82 -2.075362781e+01 1.84 -2.095707717e+01 1.86 -2.113646716e+01 1.88 -2.129316041e+01 1.90 -2.142853897e+01 1.92 -2.154399339e+01 1.94 -2.164091208e+01 1.96 -2.172067126e+01 1.98 -2.178462533e+01 2.00 -2.183409780e+01 2.02 -2.187037290e+01 2.04 -2.189468790e+01 2.06 -2.190822621e+01 2.08 -2.191211138e+01 2.10 -2.190740202e+01 2.12 -2.189508772e+01 2.14 -2.187608598e+01 2.16 -2.185124024e+01 2.18 -2.182131885e+01 2.20 -2.178701517e+01 2.22 -2.174894858e+01 2.24 -2.170766642e+01 2.26 -2.166364689e+01 2.28 -2.161730256e+01 2.30 -2.156898480e+01 2.32 -2.151898867e+01 2.34 -2.146755848e+01 2.36 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-1.799478524e+01 3.28 -1.785771394e+01 3.30 -1.771867676e+01 3.32 -1.757890144e+01 3.34 -1.743978885e+01 3.36 -1.730281876e+01 3.38 -1.716946495e+01 3.40 -1.704111418e+01 3.42 -1.691774369e+01 3.44 -1.680976129e+01 3.46 -1.671404052e+01 3.48 -1.658098894e+01 3.50 -1.644308779e+01 3.52 -1.633930440e+01 3.54 -1.627133202e+01 3.56 -1.623028756e+01 3.58 -1.620721067e+01 3.60 -1.619531556e+01 3.62 -1.618989982e+01 3.64 -1.618786419e+01 3.66 -1.618731057e+01 3.68 -1.618723202e+01 3.70 -1.618723190e+01 3.72 -1.618723285e+01 3.74 -1.618723314e+01 3.76 -1.618723327e+01 3.78 -1.618723335e+01 3.80 -1.618723341e+01 3.82 -1.618723345e+01 3.84 -1.618723348e+01 3.86 -1.618723349e+01 3.88 -1.618723350e+01 3.90 -1.618723351e+01 3.92 -1.618723351e+01 3.94 -1.618723351e+01 3.96 -1.618723351e+01 3.98 -1.618723351e+01 4.00 -1.618723351e+01 4.02 -1.618723351e+01 4.04 -1.618723351e+01 4.06 -1.618723351e+01 4.08 -1.618723351e+01 4.10 -1.618723351e+01 4.12 -1.618723351e+01 4.14 -1.618723351e+01 4.16 -1.618723351e+01 4.18 -1.618723351e+01 4.20 -1.618723351e+01 4.22 -1.618723351e+01 4.24 -1.618723351e+01 4.26 -1.618723351e+01 4.28 -1.618723351e+01 4.30 -1.618723351e+01 4.32 -1.618723351e+01 4.34 -1.618723351e+01 4.36 -1.618723351e+01 4.38 -1.618723351e+01 4.40 -1.618723351e+01 4.42 -1.618723351e+01 4.44 -1.618723351e+01 4.46 -1.618723351e+01 4.48 -1.618723351e+01 4.50 -1.618723351e+01 4.52 -1.618723351e+01 4.54 -1.618723351e+01 4.56 -1.618723351e+01 4.58 -1.618723351e+01 4.60 -1.618723351e+01 4.62 -1.618723351e+01 4.64 -1.618723351e+01 4.66 -1.618723351e+01 4.68 -1.618723351e+01 4.70 -1.618723351e+01 4.72 -1.618723351e+01 4.74 -1.618723351e+01 4.76 -1.618723351e+01 4.78 -1.618723351e+01 4.80 -1.618723351e+01 4.82 -1.618723351e+01 4.84 -1.618723351e+01 4.86 -1.618723351e+01 4.88 -1.618723351e+01 4.90 -1.618723351e+01 4.92 -1.618723351e+01 4.94 -1.618723351e+01 4.96 -1.618723351e+01 4.98 -1.618723351e+01 5.00 -1.618723351e+01 5.02 -1.618723351e+01 5.04 -1.618723351e+01 5.06 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