# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Han-S-Zepeda-Ruiz-L-A-Ackland-G-J-et-al--V # implementation = 2003--Han-S--V--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 V V 0.02 3.138167472e+05 0.04 1.322846054e+05 0.06 7.564197809e+04 0.08 4.928318202e+04 0.10 3.457518498e+04 0.12 2.544808141e+04 0.14 1.937252325e+04 0.16 1.512207270e+04 0.18 1.203649200e+04 0.20 9.731806430e+03 0.22 7.971006792e+03 0.24 6.600727708e+03 0.26 5.517869118e+03 0.28 4.650918177e+03 0.30 3.948964906e+03 0.32 3.374965565e+03 0.34 2.901460409e+03 0.36 2.507766371e+03 0.38 2.178086919e+03 0.40 1.900209586e+03 0.42 1.664590079e+03 0.44 1.463696687e+03 0.46 1.291533578e+03 0.48 1.143289319e+03 0.50 1.015074489e+03 0.52 9.037235917e+02 0.54 8.066440104e+02 0.56 7.216997687e+02 0.58 6.471213248e+02 0.60 5.814350299e+02 0.62 5.234075701e+02 0.64 4.720019205e+02 0.66 4.263422091e+02 0.68 3.856855266e+02 0.70 3.493991850e+02 0.72 3.169422773e+02 0.74 2.878506523e+02 0.76 2.617246133e+02 0.78 2.382188040e+02 0.80 2.170338552e+02 0.82 1.979094589e+02 0.84 1.806186028e+02 0.86 1.649627519e+02 0.88 1.507678075e+02 0.90 1.378807061e+02 0.92 1.261665465e+02 0.94 1.155061554e+02 0.96 1.057940175e+02 0.98 9.693651075e+01 1.00 8.885039741e+01 1.02 8.137973807e+01 1.04 7.440739477e+01 1.06 6.791407119e+01 1.08 6.187916377e+01 1.10 5.628114958e+01 1.12 5.109793177e+01 1.14 4.630714236e+01 1.16 4.188640414e+01 1.18 3.781355391e+01 1.20 3.406682969e+01 1.22 3.062502470e+01 1.24 2.746761115e+01 1.26 2.457483682e+01 1.28 2.192779743e+01 1.30 1.950848768e+01 1.32 1.729983381e+01 1.34 1.528571023e+01 1.36 1.345094269e+01 1.38 1.178130015e+01 1.40 1.026347750e+01 1.42 8.885070705e+00 1.44 7.634546334e+00 1.46 6.501206507e+00 1.48 5.475150762e+00 1.50 4.547235761e+00 1.52 3.709033771e+00 1.54 2.952790669e+00 1.56 2.271384074e+00 1.58 1.658282139e+00 1.60 1.107503368e+00 1.62 6.135778156e-01 1.64 1.715098621e-01 1.66 -2.232572320e-01 1.68 -5.748748927e-01 1.70 -8.871208460e-01 1.72 -1.163428746e+00 1.74 -1.406915816e+00 1.76 -1.620408527e+00 1.78 -1.806466351e+00 1.80 -1.967403554e+00 1.82 -2.112185126e+00 1.84 -2.248477595e+00 1.86 -2.376476985e+00 1.88 -2.496379260e+00 1.90 -2.608380420e+00 1.92 -2.712676499e+00 1.94 -2.809463569e+00 1.96 -2.898937739e+00 1.98 -2.981295158e+00 2.00 -3.056732013e+00 2.02 -3.125444533e+00 2.04 -3.187628990e+00 2.06 -3.243481697e+00 2.08 -3.293199013e+00 2.10 -3.336977341e+00 2.12 -3.375013133e+00 2.14 -3.407502887e+00 2.16 -3.434643153e+00 2.18 -3.456630531e+00 2.20 -3.473661673e+00 2.22 -3.485933286e+00 2.24 -3.493642133e+00 2.26 -3.496985035e+00 2.28 -3.496158872e+00 2.30 -3.491360585e+00 2.32 -3.482787179e+00 2.34 -3.470635723e+00 2.36 -3.455103357e+00 2.38 -3.436387287e+00 2.40 -3.414684793e+00 2.42 -3.390193229e+00 2.44 -3.363110027e+00 2.46 -3.333632698e+00 2.48 -3.301958836e+00 2.50 -3.268286122e+00 2.52 -3.232812325e+00 2.54 -3.195735305e+00 2.56 -3.157253019e+00 2.58 -3.117563525e+00 2.60 -3.076864980e+00 2.62 -3.035355651e+00 2.64 -2.993213280e+00 2.66 -2.950461814e+00 2.68 -2.907055805e+00 2.70 -2.862949587e+00 2.72 -2.818097630e+00 2.74 -2.772454536e+00 2.76 -2.725975051e+00 2.78 -2.678614068e+00 2.80 -2.630326638e+00 2.82 -2.581067986e+00 2.84 -2.530793476e+00 2.86 -2.479458681e+00 2.88 -2.427019359e+00 2.90 -2.373464889e+00 2.92 -2.318891714e+00 2.94 -2.263417895e+00 2.96 -2.207161609e+00 2.98 -2.150241315e+00 3.00 -2.092775754e+00 3.02 -2.034883925e+00 3.04 -1.976685073e+00 3.06 -1.918298726e+00 3.08 -1.859844724e+00 3.10 -1.801443240e+00 3.12 -1.743214859e+00 3.14 -1.685280540e+00 3.16 -1.627761508e+00 3.18 -1.570779059e+00 3.20 -1.514454924e+00 3.22 -1.458911186e+00 3.24 -1.404180970e+00 3.26 -1.350188598e+00 3.28 -1.296861147e+00 3.30 -1.244106016e+00 3.32 -1.191863794e+00 3.34 -1.140024963e+00 3.36 -1.088562170e+00 3.38 -1.037300340e+00 3.40 -9.862919592e-01 3.42 -9.348049847e-01 3.44 -8.826437513e-01 3.46 -8.321541672e-01 3.48 -7.851347678e-01 3.50 -7.414124035e-01 3.52 -6.951075456e-01 3.54 -6.428106970e-01 3.56 -5.835201573e-01 3.58 -5.176172108e-01 3.60 -4.480728671e-01 3.62 -3.795726498e-01 3.64 -3.151157655e-01 3.66 -2.564515184e-01 3.68 -2.045304987e-01 3.70 -1.597476317e-01 3.72 -1.220450754e-01 3.74 -9.091841094e-02 3.76 -6.572628052e-02 3.78 -4.579207938e-02 3.80 -3.044242455e-02 3.82 -1.902659812e-02 3.84 -1.092325505e-02 3.86 -5.539296218e-03 3.88 -2.304592803e-03 3.90 -6.652083681e-04 3.92 -7.689989559e-05 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