# Diatom energy (eV) vs. radial distance (Angstrom).
# potential = 2025--Wang-M-Md-Pratik-S-Nayir-N-et-al--S
# implementation = 2025--Wang-M--S--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 2026-08-31

r    S S              
0.02  7.677734549e+03 
0.04  7.469634151e+03 
0.06  7.220888053e+03 
0.08  6.953297226e+03 
0.10  6.678567388e+03 
0.12  6.403366281e+03 
0.14  6.131625983e+03 
0.16  5.865710284e+03 
0.18  5.607043176e+03 
0.20  5.356464181e+03 
0.22  5.114438078e+03 
0.24  4.881183484e+03 
0.26  4.656754358e+03 
0.28  4.441093172e+03 
0.30  4.234066501e+03 
0.32  4.035489351e+03 
0.34  3.845142092e+03 
0.36  3.662782447e+03 
0.38  3.488154062e+03 
0.40  3.320992710e+03 
0.42  3.161030810e+03 
0.44  3.008000727e+03 
0.46  2.861637185e+03 
0.48  2.721679036e+03 
0.50  2.587870531e+03 
0.52  2.459962234e+03 
0.54  2.337711649e+03 
0.56  2.220883647e+03 
0.58  2.109250722e+03 
0.60  2.002593121e+03 
0.62  1.900698884e+03 
0.64  1.803363795e+03 
0.66  1.710391270e+03 
0.68  1.621592195e+03 
0.70  1.536784697e+03 
0.72  1.455793871e+03 
0.74  1.378451434e+03 
0.76  1.304595293e+03 
0.78  1.234068997e+03 
0.80  1.166721009e+03 
0.82  1.102403692e+03 
0.84  1.040971831e+03 
0.86  9.822803547e+02 
0.88  9.261806694e+02 
0.90  8.725145719e+02 
0.92  8.211040557e+02 
0.94  7.717345334e+02 
0.96  7.241288125e+02 
0.98  6.779119362e+02 
1.00  6.325789269e+02 
1.02  5.875096418e+02 
1.04  5.421314710e+02 
1.06  4.963508327e+02 
1.08  4.511328229e+02 
1.10  4.082922667e+02 
1.12  3.700794157e+02 
1.14  3.379676267e+02 
1.16  3.088734623e+02 
1.18  2.814262552e+02 
1.20  2.553393453e+02 
1.22  2.305271325e+02 
1.24  2.069379961e+02 
1.26  1.845255294e+02 
1.28  1.632454508e+02 
1.30  1.430551678e+02 
1.32  1.239135447e+02 
1.34  1.057808384e+02 
1.36  8.861883533e+01 
1.38  7.239117048e+01 
1.40  5.706374671e+01 
1.42  4.260512729e+01 
1.44  2.898676822e+01 
1.46  1.618299561e+01 
1.48  4.170701766e+00 
1.50 -7.071190303e+00 
1.52 -1.756238490e+01 
1.54 -2.732185261e+01 
1.56 -3.636830801e+01 
1.58 -4.472041284e+01 
1.60 -5.239664825e+01 
1.62 -5.941488007e+01 
1.64 -6.579173344e+01 
1.66 -7.154197307e+01 
1.68 -7.667811733e+01 
1.70 -8.121046885e+01 
1.72 -8.514762274e+01 
1.74 -8.849736216e+01 
1.76 -9.126773778e+01 
1.78 -9.346810327e+01 
1.80 -9.510993776e+01 
1.82 -9.620738335e+01 
1.84 -9.677750670e+01 
1.86 -9.684033170e+01 
1.88 -9.641868639e+01 
1.90 -9.553788145e+01 
1.92 -9.422521179e+01 
1.94 -9.250926509e+01 
1.96 -9.041904922e+01 
1.98 -8.798303743e+01 
2.00 -8.522840274e+01 
2.02 -8.218098243e+01 
2.04 -7.886680149e+01 
2.06 -7.531600724e+01 
2.08 -7.156928532e+01 
2.10 -6.768482867e+01 
2.12 -6.374149834e+01 
2.14 -5.983360964e+01 
2.16 -5.605712308e+01 
2.18 -5.249343765e+01 
2.20 -4.919872950e+01 
2.22 -4.620158791e+01 
2.24 -4.350632002e+01 
2.26 -4.109895000e+01 
2.28 -3.895400829e+01 
2.30 -3.704031407e+01 
2.32 -3.532481380e+01 
2.34 -3.377477364e+01 
2.36 -3.235905041e+01 
2.38 -3.104895192e+01 
2.40 -2.981889425e+01 
2.42 -2.864688996e+01 
2.44 -2.751484376e+01 
2.46 -2.640863354e+01 
2.48 -2.531797691e+01 
2.50 -2.423610938e+01 
2.52 -2.315932049e+01 
2.54 -2.208640579e+01 
2.56 -2.101809386e+01 
2.58 -1.995649950e+01 
2.60 -1.890464050e+01 
2.62 -1.786603914e+01 
2.64 -1.684441406e+01 
2.66 -1.584345673e+01 
2.68 -1.486667937e+01 
2.70 -1.391731840e+01 
2.72 -1.299827819e+01 
2.74 -1.211210210e+01 
2.76 -1.126096140e+01 
2.78 -1.044665523e+01 
2.80 -9.670617637e+00 
2.82 -8.933929202e+00 
2.84 -8.237331785e+00 
2.86 -7.581245728e+00 
2.88 -6.965788837e+00 
2.90 -6.390796998e+00 
2.92 -5.855845921e+00 
2.94 -5.360273821e+00 
2.96 -4.903204715e+00 
2.98 -4.483572058e+00 
3.00 -4.100142449e+00 
3.02 -3.751539148e+00 
3.04 -3.436265157e+00 
3.06 -3.152725651e+00 
3.08 -2.899249566e+00 
3.10 -2.674110158e+00 
3.12 -2.475544400e+00 
3.14 -2.301771090e+00 
3.16 -2.151007577e+00 
3.18 -2.021485043e+00 
3.20 -1.911462290e+00 
3.22 -1.819238005e+00 
3.24 -1.743161526e+00 
3.26 -1.681642095e+00 
3.28 -1.633156659e+00 
3.30 -1.596256250e+00 
3.32 -1.569571021e+00 
3.34 -1.551813987e+00 
3.36 -1.541783573e+00 
3.38 -1.538365041e+00 
3.40 -1.540530889e+00 
3.42 -1.547340317e+00 
3.44 -1.557937859e+00 
3.46 -1.571551277e+00 
3.48 -1.587488823e+00 
3.50 -1.605135976e+00 
3.52 -1.623951775e+00 
3.54 -1.643464918e+00 
3.56 -1.663269940e+00 
3.58 -1.683024573e+00 
3.60 -1.704028928e+00 
3.62 -1.732971863e+00 
3.64 -1.759192325e+00 
3.66 -1.782854977e+00 
3.68 -1.804115907e+00 
3.70 -1.823123038e+00 
3.72 -1.840016526e+00 
3.74 -1.854929139e+00 
3.76 -1.867986616e+00 
3.78 -1.879308011e+00 
3.80 -1.889006022e+00 
3.82 -1.897187297e+00 
3.84 -1.903952741e+00 
3.86 -1.909397789e+00 
3.88 -1.913612685e+00 
3.90 -1.916682735e+00 
3.92 -1.918688550e+00 
3.94 -1.919706286e+00 
3.96 -1.919807863e+00 
3.98 -1.919061174e+00 
4.00 -1.917530294e+00 
4.02 -1.915275667e+00 
4.04 -1.912354293e+00 
4.06 -1.908819898e+00 
4.08 -1.904723105e+00 
4.10 -1.900111590e+00 
4.12 -1.895030231e+00 
4.14 -1.889521257e+00 
4.16 -1.883624379e+00 
4.18 -1.877376922e+00 
4.20 -1.870813949e+00 
4.22 -1.863968379e+00 
4.24 -1.856871099e+00 
4.26 -1.849551069e+00 
4.28 -1.842035426e+00 
4.30 -1.834349580e+00 
4.32 -1.826517304e+00 
4.34 -1.818560821e+00 
4.36 -1.810500892e+00 
4.38 -1.802356889e+00 
4.40 -1.794146872e+00 
4.42 -1.785887663e+00 
4.44 -1.777594909e+00 
4.46 -1.769283153e+00 
4.48 -1.760965886e+00 
4.50 -1.752655615e+00 
4.52 -1.744363913e+00 
4.54 -1.736101470e+00 
4.56 -1.727878147e+00 
4.58 -1.719703023e+00 
4.60 -1.711584435e+00 
4.62 -1.703530028e+00 
4.64 -1.695546788e+00 
4.66 -1.687641086e+00 
4.68 -1.679818714e+00 
4.70 -1.672084916e+00 
4.72 -1.664444422e+00 
4.74 -1.656901484e+00 
4.76 -1.649459899e+00 
4.78 -1.642123038e+00 
4.80 -1.634893877e+00 
4.82 -1.627775018e+00 
4.84 -1.620768712e+00 
4.86 -1.613876887e+00 
4.88 -1.607101163e+00 
4.90 -1.600442875e+00 
4.92 -1.593903091e+00 
4.94 -1.587482635e+00 
4.96 -1.581182094e+00 
4.98 -1.575001846e+00 
5.00 -1.568942064e+00 
5.02 -1.563002740e+00 
5.04 -1.557183693e+00 
5.06 -1.551484581e+00 
5.08 -1.545904918e+00 
5.10 -1.540444083e+00 
5.12 -1.535101329e+00 
5.14 -1.529875795e+00 
5.16 -1.524766515e+00 
5.18 -1.519772429e+00 
5.20 -1.514892388e+00 
5.22 -1.510125165e+00 
5.24 -1.505469460e+00 
5.26 -1.500923911e+00 
5.28 -1.496487095e+00 
5.30 -1.492157540e+00 
5.32 -1.487933725e+00 
5.34 -1.483814092e+00 
5.36 -1.479797046e+00 
5.38 -1.475880961e+00 
5.40 -1.472064187e+00 
5.42 -1.468345050e+00 
5.44 -1.464721861e+00 
5.46 -1.461192914e+00 
5.48 -1.457756494e+00 
5.50 -1.454410879e+00 
5.52 -1.451154341e+00 
5.54 -1.447985151e+00 
5.56 -1.444901581e+00 
5.58 -1.441901907e+00 
5.60 -1.438984407e+00 
5.62 -1.436147370e+00 
5.64 -1.433389093e+00 
5.66 -1.430707884e+00 
5.68 -1.428102064e+00 
5.70 -1.425569965e+00 
5.72 -1.423109940e+00 
5.74 -1.420720353e+00 
5.76 -1.418399589e+00 
5.78 -1.416146050e+00 
5.80 -1.413958158e+00 
5.82 -1.411834357e+00 
5.84 -1.409773108e+00 
5.86 -1.407772897e+00 
5.88 -1.405832232e+00 
5.90 -1.403949642e+00 
5.92 -1.402123680e+00 
5.94 -1.400352923e+00 
5.96 -1.398635971e+00 
5.98 -1.396971449e+00 
6.00 -1.395358004e+00 
6.02 -1.393794310e+00 
6.04 -1.392279065e+00 
6.06 -1.390810990e+00 
6.08 -1.389388831e+00 
6.10 -1.388011359e+00 
6.12 -1.386677371e+00 
6.14 -1.385385686e+00 
6.16 -1.384135147e+00 
6.18 -1.382924625e+00 
6.20 -1.381753010e+00 
6.22 -1.380619219e+00 
6.24 -1.379522192e+00 
6.26 -1.378460892e+00 
6.28 -1.377434307e+00 
6.30 -1.376441445e+00 
6.32 -1.375481339e+00 
6.34 -1.374553044e+00 
6.36 -1.373655636e+00 
6.38 -1.372788214e+00 
6.40 -1.371949899e+00 
6.42 -1.371139831e+00 
6.44 -1.370357174e+00 
6.46 -1.369601109e+00 
6.48 -1.368870842e+00 
6.50 -1.368165595e+00 
6.52 -1.367484610e+00 
6.54 -1.366827150e+00 
6.56 -1.366192496e+00 
6.58 -1.365579948e+00 
6.60 -1.364988823e+00 
6.62 -1.364418457e+00 
6.64 -1.363868204e+00 
6.66 -1.363337433e+00 
6.68 -1.362825533e+00 
6.70 -1.362331908e+00 
6.72 -1.361855976e+00 
6.74 -1.361397175e+00 
6.76 -1.360954956e+00 
6.78 -1.360528785e+00 
6.80 -1.360118144e+00 
6.82 -1.359722529e+00 
6.84 -1.359341449e+00 
6.86 -1.358974430e+00 
6.88 -1.358621008e+00 
6.90 -1.358280734e+00 
6.92 -1.357953173e+00 
6.94 -1.357637900e+00 
6.96 -1.357334504e+00 
6.98 -1.357042587e+00 
7.00 -1.356761760e+00 
7.02 -1.356491648e+00 
7.04 -1.356231886e+00 
7.06 -1.355982120e+00 
7.08 -1.355742007e+00 
7.10 -1.355511213e+00 
7.12 -1.355289416e+00 
7.14 -1.355076304e+00 
7.16 -1.354871571e+00 
7.18 -1.354674925e+00 
7.20 -1.354486081e+00 
7.22 -1.354304762e+00 
7.24 -1.354130701e+00 
7.26 -1.353963639e+00 
7.28 -1.353803324e+00 
7.30 -1.353649514e+00 
7.32 -1.353501974e+00 
7.34 -1.353360476e+00 
7.36 -1.353224798e+00 
7.38 -1.353094729e+00 
7.40 -1.352970061e+00 
7.42 -1.352850596e+00 
7.44 -1.352736138e+00 
7.46 -1.352626503e+00 
7.48 -1.352521508e+00 
7.50 -1.352420980e+00 
7.52 -1.352324749e+00 
7.54 -1.352232653e+00 
7.56 -1.352144532e+00 
7.58 -1.352060236e+00 
7.60 -1.351979616e+00 
7.62 -1.351902531e+00 
7.64 -1.351828843e+00 
7.66 -1.351758419e+00 
7.68 -1.351691131e+00 
7.70 -1.351626855e+00 
7.72 -1.351565472e+00 
7.74 -1.351506867e+00 
7.76 -1.351450929e+00 
7.78 -1.351397550e+00 
7.80 -1.351346627e+00 
7.82 -1.351298060e+00 
7.84 -1.351251753e+00 
7.86 -1.351207614e+00 
7.88 -1.351165552e+00 
7.90 -1.351125481e+00 
7.92 -1.351087320e+00 
7.94 -1.351050987e+00 
7.96 -1.351016405e+00 
7.98 -1.350983501e+00 
8.00 -1.350952203e+00 
8.02 -1.350922442e+00 
8.04 -1.350894151e+00 
8.06 -1.350867269e+00 
8.08 -1.350841732e+00 
8.10 -1.350817482e+00 
8.12 -1.350794462e+00 
8.14 -1.350772618e+00 
8.16 -1.350751898e+00 
8.18 -1.350732251e+00 
8.20 -1.350713628e+00 
8.22 -1.350695983e+00 
8.24 -1.350679271e+00 
8.26 -1.350663450e+00 
8.28 -1.350648478e+00 
8.30 -1.350634316e+00 
8.32 -1.350620926e+00 
8.34 -1.350608271e+00 
8.36 -1.350596316e+00 
8.38 -1.350585028e+00 
8.40 -1.350574375e+00 
8.42 -1.350564325e+00 
8.44 -1.350554851e+00 
8.46 -1.350545922e+00 
8.48 -1.350537513e+00 
8.50 -1.350529596e+00 
8.52 -1.350522148e+00 
8.54 -1.350515145e+00 
8.56 -1.350508564e+00 
8.58 -1.350502382e+00 
8.60 -1.350496581e+00 
8.62 -1.350491138e+00 
8.64 -1.350486036e+00 
8.66 -1.350481257e+00 
8.68 -1.350476783e+00 
8.70 -1.350472597e+00 
8.72 -1.350468684e+00 
8.74 -1.350465029e+00 
8.76 -1.350461617e+00 
8.78 -1.350458435e+00 
8.80 -1.350455469e+00 
8.82 -1.350452708e+00 
8.84 -1.350450139e+00 
8.86 -1.350447752e+00 
8.88 -1.350445534e+00 
8.90 -1.350443478e+00 
8.92 -1.350441571e+00 
8.94 -1.350439806e+00 
8.96 -1.350438174e+00 
8.98 -1.350436666e+00 
9.00 -1.350435275e+00 
9.02 -1.350433993e+00 
9.04 -1.350432812e+00 
9.06 -1.350431727e+00 
9.08 -1.350430731e+00 
9.10 -1.350429818e+00 
9.12 -1.350428982e+00 
9.14 -1.350428218e+00 
9.16 -1.350427521e+00 
9.18 -1.350426886e+00 
9.20 -1.350426308e+00 
9.22 -1.350425784e+00 
9.24 -1.350425309e+00 
9.26 -1.350424880e+00 
9.28 -1.350424493e+00 
9.30 -1.350424144e+00 
9.32 -1.350423831e+00 
9.34 -1.350423551e+00 
9.36 -1.350423300e+00 
9.38 -1.350423077e+00 
9.40 -1.350422879e+00 
9.42 -1.350422704e+00 
9.44 -1.350422550e+00 
9.46 -1.350422414e+00 
9.48 -1.350422295e+00 
9.50 -1.350422192e+00 
9.52 -1.350422102e+00 
9.54 -1.350422024e+00 
9.56 -1.350421958e+00 
9.58 -1.350421901e+00 
9.60 -1.350421853e+00 
9.62 -1.350421812e+00 
9.64 -1.350421778e+00 
9.66 -1.350421750e+00 
9.68 -1.350421727e+00 
9.70 -1.350421709e+00 
9.72 -1.350421694e+00 
9.74 -1.350421682e+00 
9.76 -1.350421673e+00 
9.78 -1.350421666e+00 
9.80 -1.350421661e+00 
9.82 -1.350421657e+00 
9.84 -1.350421655e+00 
9.86 -1.350421653e+00 
9.88 -1.350421652e+00 
9.90 -1.350421651e+00 
9.92 -1.350421651e+00 
9.94 -1.350421651e+00 
9.96 -1.350421650e+00 
9.98 -1.350421650e+00 
10.00 -1.350421650e+00