# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2020--Mori-H-Ozaki-T--Fe # implementation = 2020--Mori-H--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 -8.938769248e+03 0.04 -8.939420213e+03 0.06 -8.940412524e+03 0.08 -8.941184782e+03 0.10 -8.941667392e+03 0.12 -8.941980143e+03 0.14 -8.942201959e+03 0.16 -8.942368343e+03 0.18 -8.942494464e+03 0.20 -8.942587520e+03 0.22 -8.942651823e+03 0.24 -8.942690716e+03 0.26 -8.942707286e+03 0.28 -8.942704650e+03 0.30 -8.942686118e+03 0.32 -8.942655229e+03 0.34 -8.942615674e+03 0.36 -8.942571070e+03 0.38 -8.942524649e+03 0.40 -8.942478948e+03 0.42 -8.942435590e+03 0.44 -8.942395203e+03 0.46 -8.942357530e+03 0.48 -8.942321694e+03 0.50 -8.942286624e+03 0.52 -8.942251540e+03 0.54 -8.942216364e+03 0.56 -8.942181889e+03 0.58 -8.942149588e+03 0.60 -8.942121115e+03 0.62 -8.942097749e+03 0.64 -8.942080035e+03 0.66 -8.942067765e+03 0.68 -8.942060196e+03 0.70 -8.942056366e+03 0.72 -8.942055345e+03 0.74 -8.942056391e+03 0.76 -8.942059010e+03 0.78 -8.942062954e+03 0.80 -8.942068206e+03 0.82 -8.942074946e+03 0.84 -8.942083527e+03 0.86 -8.942094441e+03 0.88 -8.942108259e+03 0.90 -8.942125534e+03 0.92 -8.942146630e+03 0.94 -8.942171486e+03 0.96 -8.942199316e+03 0.98 -8.942228343e+03 1.00 -8.942255672e+03 1.02 -8.942277466e+03 1.04 -8.942289492e+03 1.06 -8.942287962e+03 1.08 -8.942270404e+03 1.10 -8.942236238e+03 1.12 -8.942186873e+03 1.14 -8.942125325e+03 1.16 -8.942055581e+03 1.18 -8.941981940e+03 1.20 -8.941908503e+03 1.22 -8.941838867e+03 1.24 -8.941775998e+03 1.26 -8.941722228e+03 1.28 -8.941679321e+03 1.30 -8.941648565e+03 1.32 -8.941630865e+03 1.34 -8.941626827e+03 1.36 -8.941636829e+03 1.38 -8.941661073e+03 1.40 -8.941699623e+03 1.42 -8.941752436e+03 1.44 -8.941819377e+03 1.46 -8.941900223e+03 1.48 -8.941994674e+03 1.50 -8.942102341e+03 1.52 -8.942222747e+03 1.54 -8.942355315e+03 1.56 -8.942499360e+03 1.58 -8.942654086e+03 1.60 -8.942818574e+03 1.62 -8.942991790e+03 1.64 -8.943172581e+03 1.66 -8.943359688e+03 1.68 -8.943551759e+03 1.70 -8.943747372e+03 1.72 -8.943945057e+03 1.74 -8.944143328e+03 1.76 -8.944340713e+03 1.78 -8.944535787e+03 1.80 -8.944727203e+03 1.82 -8.944913717e+03 1.84 -8.945094215e+03 1.86 -8.945267726e+03 1.88 -8.945433438e+03 1.90 -8.945590697e+03 1.92 -8.945739011e+03 1.94 -8.945878043e+03 1.96 -8.946007601e+03 1.98 -8.946127624e+03 2.00 -8.946238168e+03 2.02 -8.946339393e+03 2.04 -8.946431541e+03 2.06 -8.946514926e+03 2.08 -8.946589916e+03 2.10 -8.946656920e+03 2.12 -8.946716374e+03 2.14 -8.946768737e+03 2.16 -8.946814470e+03 2.18 -8.946854041e+03 2.20 -8.946887909e+03 2.22 -8.946916524e+03 2.24 -8.946940320e+03 2.26 -8.946959714e+03 2.28 -8.946975102e+03 2.30 -8.946986859e+03 2.32 -8.946995337e+03 2.34 -8.947000865e+03 2.36 -8.947003748e+03 2.38 -8.947004271e+03 2.40 -8.947002694e+03 2.42 -8.946999255e+03 2.44 -8.946994174e+03 2.46 -8.946987650e+03 2.48 -8.946979864e+03 2.50 -8.946970980e+03 2.52 -8.946961144e+03 2.54 -8.946950490e+03 2.56 -8.946939136e+03 2.58 -8.946927188e+03 2.60 -8.946914741e+03 2.62 -8.946901879e+03 2.64 -8.946888676e+03 2.66 -8.946875197e+03 2.68 -8.946861502e+03 2.70 -8.946847642e+03 2.72 -8.946833662e+03 2.74 -8.946819601e+03 2.76 -8.946805497e+03 2.78 -8.946791380e+03 2.80 -8.946777279e+03 2.82 -8.946763220e+03 2.84 -8.946749226e+03 2.86 -8.946735320e+03 2.88 -8.946721521e+03 2.90 -8.946707849e+03 2.92 -8.946694324e+03 2.94 -8.946680964e+03 2.96 -8.946667787e+03 2.98 -8.946654814e+03 3.00 -8.946642064e+03 3.02 -8.946629556e+03 3.04 -8.946617312e+03 3.06 -8.946605353e+03 3.08 -8.946593702e+03 3.10 -8.946582382e+03 3.12 -8.946571416e+03 3.14 -8.946560830e+03 3.16 -8.946550649e+03 3.18 -8.946540898e+03 3.20 -8.946531604e+03 3.22 -8.946522794e+03 3.24 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-8.946683921e+03 4.16 -8.946691304e+03 4.18 -8.946698432e+03 4.20 -8.946705295e+03 4.22 -8.946711889e+03 4.24 -8.946718209e+03 4.26 -8.946724252e+03 4.28 -8.946730019e+03 4.30 -8.946735508e+03 4.32 -8.946740723e+03 4.34 -8.946745664e+03 4.36 -8.946750337e+03 4.38 -8.946754746e+03 4.40 -8.946758896e+03 4.42 -8.946762793e+03 4.44 -8.946766445e+03 4.46 -8.946769857e+03 4.48 -8.946773039e+03 4.50 -8.946775996e+03 4.52 -8.946778739e+03 4.54 -8.946781275e+03 4.56 -8.946783612e+03 4.58 -8.946785759e+03 4.60 -8.946787724e+03 4.62 -8.946789516e+03 4.64 -8.946791142e+03 4.66 -8.946792611e+03 4.68 -8.946793930e+03 4.70 -8.946795107e+03 4.72 -8.946796148e+03 4.74 -8.946797061e+03 4.76 -8.946797852e+03 4.78 -8.946798526e+03 4.80 -8.946799090e+03 4.82 -8.946799548e+03 4.84 -8.946799905e+03 4.86 -8.946800165e+03 4.88 -8.946800331e+03 4.90 -8.946800407e+03 4.92 -8.946800396e+03 4.94 -8.946800299e+03 4.96 -8.946800118e+03 4.98 -8.946799855e+03 5.00 -8.946799511e+03 5.02 -8.946799085e+03 5.04 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