# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--K # implementation = 2016--Nichol-A--K--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 K K 0.02 2.315780694e+05 0.04 8.893354902e+04 0.06 4.872306421e+04 0.08 3.071233598e+04 0.10 2.122701169e+04 0.12 1.557035210e+04 0.14 1.157606900e+04 0.16 8.856847088e+03 0.18 6.923293327e+03 0.20 5.496161379e+03 0.22 4.460166631e+03 0.24 3.667470196e+03 0.26 3.018600129e+03 0.28 2.510739631e+03 0.30 2.105550298e+03 0.32 1.777084341e+03 0.34 1.519413767e+03 0.36 1.304632925e+03 0.38 1.120783756e+03 0.40 9.685259001e+02 0.42 8.406995415e+02 0.44 7.324947444e+02 0.46 6.440761949e+02 0.48 5.665930153e+02 0.50 4.988079655e+02 0.52 4.407319806e+02 0.54 3.904407685e+02 0.56 3.468459227e+02 0.58 3.101776910e+02 0.60 2.770193906e+02 0.62 2.476662560e+02 0.64 2.219456267e+02 0.66 1.992135778e+02 0.68 1.792631063e+02 0.70 1.620702110e+02 0.72 1.462417220e+02 0.74 1.321265648e+02 0.76 1.195662523e+02 0.78 1.083109623e+02 0.80 9.837309526e+01 0.82 8.961883432e+01 0.84 8.149258473e+01 0.86 7.420198119e+01 0.88 6.764371284e+01 0.90 6.171021229e+01 0.92 5.645457783e+01 0.94 5.173223746e+01 0.96 4.733791616e+01 0.98 4.337181990e+01 1.00 3.977564772e+01 1.02 3.649998653e+01 1.04 3.359117609e+01 1.06 3.093124830e+01 1.08 2.845732899e+01 1.10 2.621124508e+01 1.12 2.416156659e+01 1.14 2.228594580e+01 1.16 2.061473784e+01 1.18 1.906350829e+01 1.20 1.762322022e+01 1.22 1.630796752e+01 1.24 1.510077263e+01 1.26 1.399329286e+01 1.28 1.300121703e+01 1.30 1.206940694e+01 1.32 1.120573774e+01 1.34 1.041259848e+01 1.36 9.680658874e+00 1.38 9.008805678e+00 1.40 8.402031917e+00 1.42 7.827510042e+00 1.44 7.295472952e+00 1.46 6.804290718e+00 1.48 6.348753000e+00 1.50 5.930899198e+00 1.52 5.549440803e+00 1.54 5.186810449e+00 1.56 4.850795774e+00 1.58 4.539103138e+00 1.60 4.248778630e+00 1.62 3.982827115e+00 1.64 3.737661909e+00 1.66 3.505013798e+00 1.68 3.289569139e+00 1.70 3.089424551e+00 1.72 2.902823730e+00 1.74 2.732430715e+00 1.76 2.573446740e+00 1.78 2.422672925e+00 1.80 2.282611574e+00 1.82 2.151985122e+00 1.84 2.029857907e+00 1.86 1.918300685e+00 1.88 1.812953902e+00 1.90 1.713214818e+00 1.92 1.620221865e+00 1.94 1.533150163e+00 1.96 1.451627090e+00 1.98 1.376992408e+00 2.00 1.305763029e+00 2.02 1.238460240e+00 2.04 1.175461727e+00 2.06 1.116235677e+00 2.08 1.060801618e+00 2.10 1.009793848e+00 2.12 9.607188916e-01 2.14 9.144234290e-01 2.16 8.709159837e-01 2.18 8.298526578e-01 2.20 7.914866161e-01 2.22 7.558944110e-01 2.24 7.214895199e-01 2.26 6.890486853e-01 2.28 6.584463117e-01 2.30 6.294592375e-01 2.32 6.024452281e-01 2.34 5.771199268e-01 2.36 5.526005317e-01 2.38 5.294590088e-01 2.40 5.075556345e-01 2.42 4.867463137e-01 2.44 4.674034749e-01 2.46 4.490538081e-01 2.48 4.313009461e-01 2.50 4.145127299e-01 2.52 3.985741662e-01 2.54 3.704081387e-01 2.56 2.970684698e-01 2.58 2.238236890e-01 2.60 1.521561483e-01 2.62 8.359309512e-02 2.64 1.913761611e-02 2.66 -4.036008098e-02 2.68 -9.395643972e-02 2.70 -1.416377832e-01 2.72 -1.830426806e-01 2.74 -2.189317658e-01 2.76 -2.503134526e-01 2.78 -2.779081789e-01 2.80 -3.022051047e-01 2.82 -3.241790297e-01 2.84 -3.441405596e-01 2.86 -3.624566879e-01 2.88 -3.795029002e-01 2.90 -3.954875420e-01 2.92 -4.105782053e-01 2.94 -4.252582074e-01 2.96 -4.394921222e-01 2.98 -4.533217995e-01 3.00 -4.666115849e-01 3.02 -4.792463692e-01 3.04 -4.912514207e-01 3.06 -5.028193076e-01 3.08 -5.138067725e-01 3.10 -5.242332313e-01 3.12 -5.341250244e-01 3.14 -5.433869223e-01 3.16 -5.521187125e-01 3.18 -5.604286665e-01 3.20 -5.682207674e-01 3.22 -5.755234414e-01 3.24 -5.823605927e-01 3.26 -5.886441167e-01 3.28 -5.945129039e-01 3.30 -6.000042968e-01 3.32 -6.050600418e-01 3.34 -6.097069545e-01 3.36 -6.139583051e-01 3.38 -6.177395514e-01 3.40 -6.212451436e-01 3.42 -6.245230736e-01 3.44 -6.275370494e-01 3.46 -6.303022931e-01 3.48 -6.328099214e-01 3.50 -6.350027532e-01 3.52 -6.370132009e-01 3.54 -6.387902791e-01 3.56 -6.403185329e-01 3.58 -6.416093872e-01 3.60 -6.426406180e-01 3.62 -6.433873689e-01 3.64 -6.439524052e-01 3.66 -6.442779773e-01 3.68 -6.443622621e-01 3.70 -6.442139594e-01 3.72 -6.438030821e-01 3.74 -6.431352396e-01 3.76 -6.422775874e-01 3.78 -6.411817160e-01 3.80 -6.398526842e-01 3.82 -6.382980832e-01 3.84 -6.364870929e-01 3.86 -6.344479004e-01 3.88 -6.322167790e-01 3.90 -6.297612334e-01 3.92 -6.270895834e-01 3.94 -6.242093247e-01 3.96 -6.210944210e-01 3.98 -6.177860753e-01 4.00 -6.142989109e-01 4.02 -6.106161589e-01 4.04 -6.067481011e-01 4.06 -6.027019290e-01 4.08 -5.984594422e-01 4.10 -5.940704679e-01 4.12 -5.896034349e-01 4.14 -5.850867066e-01 4.16 -5.805100576e-01 4.18 -5.758542115e-01 4.20 -5.710820081e-01 4.22 -5.662088203e-01 4.24 -5.611970215e-01 4.26 -5.560155107e-01 4.28 -5.506402480e-01 4.30 -5.450368093e-01 4.32 -5.391671270e-01 4.34 -5.330330909e-01 4.36 -5.265882910e-01 4.38 -5.198024924e-01 4.40 -5.126499104e-01 4.42 -5.050942359e-01 4.44 -4.971099463e-01 4.46 -4.886952563e-01 4.48 -4.798129472e-01 4.50 -4.704451686e-01 4.52 -4.605780061e-01 4.54 -4.501892032e-01 4.56 -4.392765772e-01 4.58 -4.278329523e-01 4.60 -4.157648275e-01 4.62 -4.030711300e-01 4.64 -3.898283651e-01 4.66 -3.761045257e-01 4.68 -3.619822834e-01 4.70 -3.475358699e-01 4.72 -3.328306801e-01 4.74 -3.179356851e-01 4.76 -3.029163815e-01 4.78 -2.878332242e-01 4.80 -2.727488962e-01 4.82 -2.577175161e-01 4.84 -2.427899969e-01 4.86 -2.280140415e-01 4.88 -2.134332649e-01 4.90 -1.990889717e-01 4.92 -1.850130585e-01 4.94 -1.712371793e-01 4.96 -1.577988816e-01 4.98 -1.447478258e-01 5.00 -1.321328289e-01 5.02 -1.199998570e-01 5.04 -1.083838178e-01 5.06 -9.732479056e-02 5.08 -8.685726476e-02 5.10 -7.701230072e-02 5.12 -6.782040134e-02 5.14 -5.930866485e-02 5.16 -5.149774767e-02 5.18 -4.438691401e-02 5.20 -3.795078523e-02 5.22 -3.216378237e-02 5.24 -2.700211053e-02 5.26 -2.243546724e-02 5.28 -1.842389757e-02 5.30 -1.492908205e-02 5.32 -1.191255318e-02 5.34 -9.336772367e-03 5.36 -7.165339168e-03 5.38 -5.361901378e-03 5.40 -3.891093382e-03 5.42 -2.718314819e-03 5.44 -1.809189061e-03 5.46 -1.129728368e-03 5.48 -6.462570117e-04 5.50 -3.252260197e-04 5.52 -1.333101877e-04 5.54 -3.726410976e-05 5.56 -3.884085432e-06 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