# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2026--Dutta-P-S-Koneru-A-Muhammed-A-et-al--Bi # implementation = 2026--Dutta-P-S--Bi--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 Bi Bi 0.02 1.422919594e+03 0.04 1.349776425e+03 0.06 1.280362568e+03 0.08 1.214488266e+03 0.10 1.151973411e+03 0.12 1.092647058e+03 0.14 1.036346953e+03 0.16 9.829190941e+02 0.18 9.322173123e+02 0.20 8.841028723e+02 0.22 8.384440949e+02 0.24 7.951159976e+02 0.26 7.539999549e+02 0.28 7.149833745e+02 0.30 6.779593904e+02 0.32 6.428265723e+02 0.34 6.094886485e+02 0.36 5.778542441e+02 0.38 5.478366318e+02 0.40 5.193534954e+02 0.42 4.923267058e+02 0.44 4.666821080e+02 0.46 4.423493187e+02 0.48 4.192615348e+02 0.50 3.973553515e+02 0.52 3.765705890e+02 0.54 3.568501289e+02 0.56 3.381397582e+02 0.58 3.203880220e+02 0.60 3.035460828e+02 0.62 2.875675877e+02 0.64 2.724085417e+02 0.66 2.580271881e+02 0.68 2.443838948e+02 0.70 2.314410457e+02 0.72 2.191629388e+02 0.74 2.075156883e+02 0.76 1.964671327e+02 0.78 1.859867468e+02 0.80 1.760455588e+02 0.82 1.666160708e+02 0.84 1.576721844e+02 0.86 1.491891291e+02 0.88 1.411433950e+02 0.90 1.335126687e+02 0.92 1.262757722e+02 0.94 1.194126054e+02 0.96 1.129040913e+02 0.98 1.067321237e+02 1.00 1.008795182e+02 1.02 9.532996484e+01 1.04 9.006798411e+01 1.06 8.507888442e+01 1.08 8.034872210e+01 1.10 7.586426339e+01 1.12 7.161294826e+01 1.14 6.758285620e+01 1.16 6.376267370e+01 1.18 6.014166330e+01 1.20 5.670963437e+01 1.22 5.345691526e+01 1.24 5.037432688e+01 1.26 4.745315768e+01 1.28 4.468513986e+01 1.30 4.206242678e+01 1.32 3.957757154e+01 1.34 3.722350665e+01 1.36 3.499352473e+01 1.38 3.288126019e+01 1.40 3.088067183e+01 1.42 2.898602635e+01 1.44 2.719188266e+01 1.46 2.549307707e+01 1.48 2.388470910e+01 1.50 2.236212814e+01 1.52 2.092092071e+01 1.54 1.955689844e+01 1.56 1.826608653e+01 1.58 1.704471298e+01 1.60 1.588919818e+01 1.62 1.479614518e+01 1.64 1.376233039e+01 1.66 1.278469472e+01 1.68 1.186033524e+01 1.70 1.098649721e+01 1.72 1.016056658e+01 1.74 9.380062766e+00 1.76 8.642631902e+00 1.78 7.946040373e+00 1.80 7.288168699e+00 1.82 6.667005717e+00 1.84 6.080643072e+00 1.86 5.527269983e+00 1.88 5.005168269e+00 1.90 4.512707640e+00 1.92 4.048341217e+00 1.94 3.610601287e+00 1.96 3.198095268e+00 1.98 2.809501886e+00 2.00 2.443567538e+00 2.02 2.099102852e+00 2.04 1.774979406e+00 2.06 1.470126629e+00 2.08 1.183528852e+00 2.10 9.142225093e-01 2.12 6.612934831e-01 2.14 4.238745851e-01 2.16 2.011431631e-01 2.18 -7.681168874e-03 2.20 -2.033386852e-01 2.22 -3.865315937e-01 2.24 -5.579259773e-01 2.26 -7.181536352e-01 2.28 -8.678138326e-01 2.30 -1.007474959e+00 2.32 -1.137676106e+00 2.34 -1.258854711e+00 2.36 -1.371178655e+00 2.38 -1.474993082e+00 2.40 -1.570656097e+00 2.42 -1.658515808e+00 2.44 -1.738910401e+00 2.46 -1.812168230e+00 2.48 -1.878607922e+00 2.50 -1.938538491e+00 2.52 -1.992259471e+00 2.54 -2.040061043e+00 2.56 -2.082224190e+00 2.58 -2.119020841e+00 2.60 -2.150714039e+00 2.62 -2.177558098e+00 2.64 -2.199798776e+00 2.66 -2.217673450e+00 2.68 -2.231411290e+00 2.70 -2.241233441e+00 2.72 -2.247353203e+00 2.74 -2.249976214e+00 2.76 -2.249300636e+00 2.78 -2.245517335e+00 2.80 -2.238810070e+00 2.82 -2.229355672e+00 2.84 -2.217324230e+00 2.86 -2.202879274e+00 2.88 -2.186177950e+00 2.90 -2.167371203e+00 2.92 -2.146603954e+00 2.94 -2.124015270e+00 2.96 -2.099738540e+00 2.98 -2.073901643e+00 3.00 -2.046627112e+00 3.02 -2.018032303e+00 3.04 -1.988229551e+00 3.06 -1.957326331e+00 3.08 -1.925425409e+00 3.10 -1.892624998e+00 3.12 -1.859018902e+00 3.14 -1.824696660e+00 3.16 -1.789743692e+00 3.18 -1.754241435e+00 3.20 -1.718267474e+00 3.22 -1.681895678e+00 3.24 -1.645196326e+00 3.26 -1.608236231e+00 3.28 -1.571078864e+00 3.30 -1.533784466e+00 3.32 -1.496410171e+00 3.34 -1.459010108e+00 3.36 -1.421635520e+00 3.38 -1.384334858e+00 3.40 -1.347153891e+00 3.42 -1.310135804e+00 3.44 -1.273321289e+00 3.46 -1.236748646e+00 3.48 -1.200453867e+00 3.50 -1.164470724e+00 3.52 -1.128830860e+00 3.54 -1.093563863e+00 3.56 -1.058697351e+00 3.58 -1.024257046e+00 3.60 -9.902668534e-01 3.62 -9.567489264e-01 3.64 -9.237237424e-01 3.66 -8.912101678e-01 3.68 -8.592255239e-01 3.70 -8.277856496e-01 3.72 -7.969049629e-01 3.74 -7.665965200e-01 3.76 -7.368720720e-01 3.78 -7.077421203e-01 3.80 -6.792159699e-01 3.82 -6.513017808e-01 3.84 -6.240066181e-01 3.86 -5.973364994e-01 3.88 -5.712964421e-01 3.90 -5.458905076e-01 3.92 -5.211218449e-01 3.94 -4.969927327e-01 3.96 -4.735046193e-01 3.98 -4.506581621e-01 4.00 -4.284532650e-01 4.02 -4.068891151e-01 4.04 -3.859642177e-01 4.06 -3.656764300e-01 4.08 -3.460229943e-01 4.10 -3.270005696e-01 4.12 -3.086052617e-01 4.14 -2.908326533e-01 4.16 -2.736778318e-01 4.18 -2.571354175e-01 4.20 -2.411995896e-01 4.22 -2.258641121e-01 4.24 -2.111223581e-01 4.26 -1.969673341e-01 4.28 -1.833917030e-01 4.30 -1.703878059e-01 4.32 -1.579476838e-01 4.34 -1.460630982e-01 4.36 -1.347255513e-01 4.38 -1.239263048e-01 4.40 -1.136563985e-01 4.42 -1.039066687e-01 4.44 -9.466776478e-02 4.46 -8.593016626e-02 4.48 -7.768419862e-02 4.50 -6.992004883e-02 4.52 -6.262778018e-02 4.54 -5.579734664e-02 4.56 -4.941860663e-02 4.58 -4.348133633e-02 4.60 -3.797524248e-02 4.62 -3.288997465e-02 4.64 -2.821513707e-02 4.66 -2.394030007e-02 4.68 -2.005501095e-02 4.70 -1.654880454e-02 4.72 -1.341121326e-02 4.74 -1.063177684e-02 4.76 -8.200051577e-03 4.78 -6.105619283e-03 4.80 -4.338095813e-03 4.82 -2.887139250e-03 4.84 -1.742457730e-03 4.86 -8.938169416e-04 4.88 -3.310472726e-04 4.90 -4.405065163e-05 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