# Diatom energy (eV) vs. radial distance (Angstrom).
# potential = 2024--Ito-K-Yokoi-T-Hyodo-K-Mori-H--Fe-16
# implementation = 2024--Ito-K--Fe-16--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 2026-06-16

r    Fe Fe            
0.02 -4.312012981e+09 
0.04 -3.486627660e+09 
0.06 -2.814487396e+09 
0.08 -2.268021093e+09 
0.10 -1.824459768e+09 
0.12 -1.465027675e+09 
0.14 -1.174265058e+09 
0.16 -9.394618625e+08 
0.18 -7.501848555e+08 
0.20 -5.978833000e+08 
0.22 -4.755605826e+08 
0.24 -3.775011584e+08 
0.26 -2.990438217e+08 
0.28 -2.363937227e+08 
0.30 -1.864667433e+08 
0.32 -1.467608602e+08 
0.34 -1.152499832e+08 
0.36 -9.029648075e+07 
0.38 -7.057922373e+07 
0.40 -5.503449098e+07 
0.42 -4.280752248e+07 
0.44 -3.321287009e+07 
0.46 -2.570200651e+07 
0.48 -1.983691214e+07 
0.50 -1.526857674e+07 
0.52 -1.171953483e+07 
0.54 -8.969705889e+06 
0.56 -6.844936804e+06 
0.58 -5.207750079e+06 
0.60 -3.949888796e+06 
0.62 -2.986322380e+06 
0.64 -2.250437588e+06 
0.66 -1.690189132e+06 
0.68 -1.265025625e+06 
0.70 -9.434405634e+05 
0.72 -7.010260596e+05 
0.74 -5.189300240e+05 
0.76 -3.826363443e+05 
0.78 -2.810030184e+05 
0.80 -2.055057800e+05 
0.82 -1.496449995e+05 
0.84 -1.084819732e+05 
0.86 -7.827746443e+04 
0.88 -5.621082339e+04 
0.90 -4.016242056e+04 
0.92 -2.854567974e+04 
0.94 -2.017784507e+04 
0.96 -1.418090052e+04 
0.98 -9.905883516e+03 
1.00 -6.875286987e+03 
1.02 -4.739397729e+03 
1.04 -3.243332815e+03 
1.06 -2.202256825e+03 
1.08 -1.482830385e+03 
1.10 -9.893856349e+02 
1.12 -6.536722212e+02 
1.14 -4.272884419e+02 
1.16 -2.761224599e+02 
1.18 -1.762910796e+02 
1.20 -1.111887323e+02 
1.22 -6.935527710e+01 
1.24 -4.294447426e+01 
1.26 -2.663064876e+01 
1.28 -1.683316178e+01 
1.30 -1.116998765e+01 
1.32 -8.075413171e+00 
1.34 -6.534537246e+00 
1.36 -5.900325806e+00 
1.38 -5.768601171e+00 
1.40 -5.893385028e+00 
1.42 -6.130129839e+00 
1.44 -6.398065694e+00 
1.46 -6.655535461e+00 
1.48 -6.884072971e+00 
1.50 -7.078307121e+00 
1.52 -7.239704579e+00 
1.54 -7.372809283e+00 
1.56 -7.483081194e+00 
1.58 -7.575739886e+00 
1.60 -7.655223525e+00 
1.62 -7.725011133e+00 
1.64 -7.787647284e+00 
1.66 -7.844868456e+00 
1.68 -7.897769484e+00 
1.70 -7.946973917e+00 
1.72 -7.992788370e+00 
1.74 -8.035331222e+00 
1.76 -8.074632448e+00 
1.78 -8.110705212e+00 
1.80 -8.143592097e+00 
1.82 -8.173389968e+00 
1.84 -8.200257897e+00 
1.86 -8.224412571e+00 
1.88 -8.246115256e+00 
1.90 -8.265653901e+00 
1.92 -8.283323391e+00 
1.94 -8.299406284e+00 
1.96 -8.314155799e+00 
1.98 -8.327782198e+00 
2.00 -8.340443230e+00 
2.02 -8.352238839e+00 
2.04 -8.363210002e+00 
2.06 -8.373341296e+00 
2.08 -8.382566600e+00 
2.10 -8.390777232e+00 
2.12 -8.397831780e+00 
2.14 -8.403566887e+00 
2.16 -8.407808296e+00 
2.18 -8.410381566e+00 
2.20 -8.411121941e+00 
2.22 -8.409882994e+00 
2.24 -8.406543755e+00 
2.26 -8.401014181e+00 
2.28 -8.393238886e+00 
2.30 -8.383199172e+00 
2.32 -8.370913453e+00 
2.34 -8.356436233e+00 
2.36 -8.339855846e+00 
2.38 -8.321291165e+00 
2.40 -8.300887541e+00 
2.42 -8.278812191e+00 
2.44 -8.255249272e+00 
2.46 -8.230394849e+00 
2.48 -8.204451937e+00 
2.50 -8.177625784e+00 
2.52 -8.150119514e+00 
2.54 -8.122130227e+00 
2.56 -8.093845630e+00 
2.58 -8.065441235e+00 
2.60 -8.037078143e+00 
2.62 -8.008901399e+00 
2.64 -7.981038906e+00 
2.66 -7.953600855e+00 
2.68 -7.926679615e+00 
2.70 -7.900350044e+00 
2.72 -7.874670136e+00 
2.74 -7.849681967e+00 
2.76 -7.825412853e+00 
2.78 -7.801876691e+00 
2.80 -7.779075389e+00 
2.82 -7.757000375e+00 
2.84 -7.735634112e+00 
2.86 -7.714951595e+00 
2.88 -7.694921791e+00 
2.90 -7.675509003e+00 
2.92 -7.656674141e+00 
2.94 -7.638375871e+00 
2.96 -7.620571654e+00 
2.98 -7.603218655e+00 
3.00 -7.586274532e+00 
3.02 -7.569698100e+00 
3.04 -7.553449883e+00 
3.06 -7.537492551e+00 
3.08 -7.521791263e+00 
3.10 -7.506313917e+00 
3.12 -7.491031318e+00 
3.14 -7.475917277e+00 
3.16 -7.460948651e+00 
3.18 -7.446105327e+00 
3.20 -7.431370167e+00 
3.22 -7.416728923e+00 
3.24 -7.402170111e+00 
3.26 -7.387684883e+00 
3.28 -7.373266869e+00 
3.30 -7.358912015e+00 
3.32 -7.344618415e+00 
3.34 -7.330386139e+00 
3.36 -7.316217058e+00 
3.38 -7.302114671e+00 
3.40 -7.288083939e+00 
3.42 -7.274131119e+00 
3.44 -7.260263599e+00 
3.46 -7.246489749e+00 
3.48 -7.232818763e+00 
3.50 -7.219260522e+00 
3.52 -7.205825449e+00 
3.54 -7.192524378e+00 
3.56 -7.179368426e+00 
3.58 -7.166368876e+00 
3.60 -7.153537055e+00 
3.62 -7.140884231e+00 
3.64 -7.128421509e+00 
3.66 -7.116159735e+00 
3.68 -7.104109409e+00 
3.70 -7.092280605e+00 
3.72 -7.080682894e+00 
3.74 -7.069325283e+00 
3.76 -7.058216154e+00 
3.78 -7.047363217e+00 
3.80 -7.036773467e+00 
3.82 -7.026453148e+00 
3.84 -7.016407736e+00 
3.86 -7.006641911e+00 
3.88 -6.997159555e+00 
3.90 -6.987963748e+00 
3.92 -6.979056767e+00 
3.94 -6.970440103e+00 
3.96 -6.962114474e+00 
3.98 -6.954079845e+00 
4.00 -6.946335456e+00 
4.02 -6.938879852e+00 
4.04 -6.931710911e+00 
4.06 -6.924825885e+00 
4.08 -6.918221431e+00 
4.10 -6.911893652e+00 
4.12 -6.905838136e+00 
4.14 -6.900049991e+00 
4.16 -6.894523885e+00 
4.18 -6.889254085e+00 
4.20 -6.884234487e+00 
4.22 -6.879458657e+00 
4.24 -6.874919858e+00 
4.26 -6.870611086e+00 
4.28 -6.866525097e+00 
4.30 -6.862654432e+00 
4.32 -6.858991449e+00 
4.34 -6.855528342e+00 
4.36 -6.852257167e+00 
4.38 -6.849169860e+00 
4.40 -6.846258263e+00 
4.42 -6.843514140e+00 
4.44 -6.840929199e+00 
4.46 -6.838495107e+00 
4.48 -6.836203513e+00 
4.50 -6.834046066e+00 
4.52 -6.832014430e+00 
4.54 -6.830100309e+00 
4.56 -6.828295462e+00 
4.58 -6.826591725e+00 
4.60 -6.824981032e+00 
4.62 -6.823455433e+00 
4.64 -6.822007117e+00 
4.66 -6.820628433e+00 
4.68 -6.819311910e+00 
4.70 -6.818050281e+00 
4.72 -6.816836502e+00 
4.74 -6.815663772e+00 
4.76 -6.814525557e+00 
4.78 -6.813415605e+00 
4.80 -6.812327967e+00 
4.82 -6.811257012e+00 
4.84 -6.810197446e+00 
4.86 -6.809144323e+00 
4.88 -6.808093058e+00 
4.90 -6.807039437e+00 
4.92 -6.805979629e+00 
4.94 -6.804910182e+00 
4.96 -6.803828039e+00 
4.98 -6.802730527e+00 
5.00 -6.801615362e+00 
5.02 -6.800480645e+00 
5.04 -6.799324851e+00 
5.06 -6.798146820e+00 
5.08 -6.796945750e+00 
5.10 -6.795721177e+00 
5.12 -6.794472961e+00 
5.14 -6.793201268e+00 
5.16 -6.791906547e+00 
5.18 -6.790589512e+00 
5.20 -6.789251118e+00 
5.22 -6.787892531e+00 
5.24 -6.786515114e+00 
5.26 -6.785120390e+00 
5.28 -6.783710027e+00 
5.30 -6.782285804e+00 
5.32 -6.780849594e+00 
5.34 -6.779403334e+00 
5.36 -6.777949007e+00 
5.38 -6.776488619e+00 
5.40 -6.775024180e+00 
5.42 -6.773557684e+00 
5.44 -6.772091097e+00 
5.46 -6.770626341e+00 
5.48 -6.769165282e+00 
5.50 -6.767709721e+00 
5.52 -6.766261388e+00 
5.54 -6.764821931e+00 
5.56 -6.763392920e+00 
5.58 -6.761975837e+00 
5.60 -6.760572080e+00 
5.62 -6.759182959e+00 
5.64 -6.757809699e+00 
5.66 -6.756453441e+00 
5.68 -6.755115242e+00 
5.70 -6.753796076e+00 
5.72 -6.752496839e+00 
5.74 -6.751218344e+00 
5.76 -6.749961324e+00 
5.78 -6.748726432e+00 
5.80 -6.747514240e+00 
5.82 -6.746325238e+00 
5.84 -6.745159831e+00 
5.86 -6.744018342e+00 
5.88 -6.742901008e+00 
5.90 -6.741807981e+00 
5.92 -6.740739336e+00 
5.94 -6.739695066e+00 
5.96 -6.738675097e+00 
5.98 -6.737679297e+00 
6.00 -6.736707485e+00 
6.02 -6.735759453e+00 
6.04 -6.734834988e+00 
6.06 -6.733933894e+00 
6.08 -6.733056027e+00 
6.10 -6.732201323e+00 
6.12 -6.731369839e+00 
6.14 -6.730561787e+00 
6.16 -6.729777575e+00 
6.18 -6.729017842e+00 
6.20 -6.728283495e+00 
6.22 -6.727575736e+00 
6.24 -6.726896085e+00 
6.26 -6.726246392e+00 
6.28 -6.725628838e+00 
6.30 -6.725045928e+00 
6.32 -6.724500465e+00 
6.34 -6.723995524e+00 
6.36 -6.723534408e+00 
6.38 -6.723120621e+00 
6.40 -6.722757845e+00 
6.42 -6.722449959e+00 
6.44 -6.722201117e+00 
6.46 -6.722015916e+00 
6.48 -6.721899725e+00 
6.50 -6.721859199e+00 
6.52 -6.721859199e+00 
6.54 -6.721859199e+00 
6.56 -6.721859199e+00 
6.58 -6.721859199e+00 
6.60 -6.721859199e+00 
6.62 -6.721859199e+00 
6.64 -6.721859199e+00 
6.66 -6.721859199e+00 
6.68 -6.721859199e+00 
6.70 -6.721859199e+00 
6.72 -6.721859199e+00 
6.74 -6.721859199e+00 
6.76 -6.721859199e+00 
6.78 -6.721859199e+00 
6.80 -6.721859199e+00 
6.82 -6.721859199e+00 
6.84 -6.721859199e+00 
6.86 -6.721859199e+00 
6.88 -6.721859199e+00 
6.90 -6.721859199e+00 
6.92 -6.721859199e+00 
6.94 -6.721859199e+00 
6.96 -6.721859199e+00 
6.98 -6.721859199e+00 
7.00 -6.721859199e+00 
7.02 -6.721859199e+00 
7.04 -6.721859199e+00 
7.06 -6.721859199e+00 
7.08 -6.721859199e+00 
7.10 -6.721859199e+00 
7.12 -6.721859199e+00 
7.14 -6.721859199e+00 
7.16 -6.721859199e+00 
7.18 -6.721859199e+00 
7.20 -6.721859199e+00 
7.22 -6.721859199e+00 
7.24 -6.721859199e+00 
7.26 -6.721859199e+00 
7.28 -6.721859199e+00 
7.30 -6.721859199e+00 
7.32 -6.721859199e+00 
7.34 -6.721859199e+00 
7.36 -6.721859199e+00 
7.38 -6.721859199e+00 
7.40 -6.721859199e+00 
7.42 -6.721859199e+00 
7.44 -6.721859199e+00 
7.46 -6.721859199e+00 
7.48 -6.721859199e+00 
7.50 -6.721859199e+00 
7.52 -6.721859199e+00 
7.54 -6.721859199e+00 
7.56 -6.721859199e+00 
7.58 -6.721859199e+00 
7.60 -6.721859199e+00 
7.62 -6.721859199e+00 
7.64 -6.721859199e+00 
7.66 -6.721859199e+00 
7.68 -6.721859199e+00 
7.70 -6.721859199e+00 
7.72 -6.721859199e+00 
7.74 -6.721859199e+00 
7.76 -6.721859199e+00 
7.78 -6.721859199e+00 
7.80 -6.721859199e+00 
7.82 -6.721859199e+00 
7.84 -6.721859199e+00 
7.86 -6.721859199e+00 
7.88 -6.721859199e+00 
7.90 -6.721859199e+00 
7.92 -6.721859199e+00 
7.94 -6.721859199e+00 
7.96 -6.721859199e+00 
7.98 -6.721859199e+00 
8.00 -6.721859199e+00 
8.02 -6.721859199e+00 
8.04 -6.721859199e+00 
8.06 -6.721859199e+00 
8.08 -6.721859199e+00 
8.10 -6.721859199e+00 
8.12 -6.721859199e+00 
8.14 -6.721859199e+00 
8.16 -6.721859199e+00 
8.18 -6.721859199e+00 
8.20 -6.721859199e+00 
8.22 -6.721859199e+00 
8.24 -6.721859199e+00 
8.26 -6.721859199e+00 
8.28 -6.721859199e+00 
8.30 -6.721859199e+00 
8.32 -6.721859199e+00 
8.34 -6.721859199e+00 
8.36 -6.721859199e+00 
8.38 -6.721859199e+00 
8.40 -6.721859199e+00 
8.42 -6.721859199e+00 
8.44 -6.721859199e+00 
8.46 -6.721859199e+00 
8.48 -6.721859199e+00 
8.50 -6.721859199e+00 
8.52 -6.721859199e+00 
8.54 -6.721859199e+00 
8.56 -6.721859199e+00 
8.58 -6.721859199e+00 
8.60 -6.721859199e+00 
8.62 -6.721859199e+00 
8.64 -6.721859199e+00 
8.66 -6.721859199e+00 
8.68 -6.721859199e+00 
8.70 -6.721859199e+00 
8.72 -6.721859199e+00 
8.74 -6.721859199e+00 
8.76 -6.721859199e+00 
8.78 -6.721859199e+00 
8.80 -6.721859199e+00 
8.82 -6.721859199e+00 
8.84 -6.721859199e+00 
8.86 -6.721859199e+00 
8.88 -6.721859199e+00 
8.90 -6.721859199e+00 
8.92 -6.721859199e+00 
8.94 -6.721859199e+00 
8.96 -6.721859199e+00 
8.98 -6.721859199e+00 
9.00 -6.721859199e+00 
9.02 -6.721859199e+00 
9.04 -6.721859199e+00 
9.06 -6.721859199e+00 
9.08 -6.721859199e+00 
9.10 -6.721859199e+00 
9.12 -6.721859199e+00 
9.14 -6.721859199e+00 
9.16 -6.721859199e+00 
9.18 -6.721859199e+00 
9.20 -6.721859199e+00 
9.22 -6.721859199e+00 
9.24 -6.721859199e+00 
9.26 -6.721859199e+00 
9.28 -6.721859199e+00 
9.30 -6.721859199e+00 
9.32 -6.721859199e+00 
9.34 -6.721859199e+00 
9.36 -6.721859199e+00 
9.38 -6.721859199e+00 
9.40 -6.721859199e+00 
9.42 -6.721859199e+00 
9.44 -6.721859199e+00 
9.46 -6.721859199e+00 
9.48 -6.721859199e+00 
9.50 -6.721859199e+00 
9.52 -6.721859199e+00 
9.54 -6.721859199e+00 
9.56 -6.721859199e+00 
9.58 -6.721859199e+00 
9.60 -6.721859199e+00 
9.62 -6.721859199e+00 
9.64 -6.721859199e+00 
9.66 -6.721859199e+00 
9.68 -6.721859199e+00 
9.70 -6.721859199e+00 
9.72 -6.721859199e+00 
9.74 -6.721859199e+00 
9.76 -6.721859199e+00 
9.78 -6.721859199e+00 
9.80 -6.721859199e+00 
9.82 -6.721859199e+00 
9.84 -6.721859199e+00 
9.86 -6.721859199e+00 
9.88 -6.721859199e+00 
9.90 -6.721859199e+00 
9.92 -6.721859199e+00 
9.94 -6.721859199e+00 
9.96 -6.721859199e+00 
9.98 -6.721859199e+00 
10.00 -6.721859199e+00