# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Koneru-A-Dutta-P-S-Muhammed-A-et-al--Si # implementation = 2025--Koneru-A--Si--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 Si Si 0.02 1.512680031e+03 0.04 1.421400863e+03 0.06 1.335546521e+03 0.08 1.254796235e+03 0.10 1.178848169e+03 0.12 1.107418303e+03 0.14 1.040239384e+03 0.16 9.770599395e+02 0.18 9.176433396e+02 0.20 8.617669270e+02 0.22 8.092211905e+02 0.24 7.598089897e+02 0.26 7.133448252e+02 0.28 6.696541514e+02 0.30 6.285727309e+02 0.32 5.899460254e+02 0.34 5.536286242e+02 0.36 5.194837052e+02 0.38 4.873825282e+02 0.40 4.572039579e+02 0.42 4.288340154e+02 0.44 4.021654557e+02 0.46 3.770973703e+02 0.48 3.535348135e+02 0.50 3.313884501e+02 0.52 3.105742247e+02 0.54 2.910130498e+02 0.56 2.726305127e+02 0.58 2.553565998e+02 0.60 2.391254365e+02 0.62 2.238750432e+02 0.64 2.095471054e+02 0.66 1.960867571e+02 0.68 1.834423777e+02 0.70 1.715653998e+02 0.72 1.604101294e+02 0.74 1.499335762e+02 0.76 1.400952937e+02 0.78 1.308572294e+02 0.80 1.221835830e+02 0.82 1.140406739e+02 0.84 1.063968155e+02 0.86 9.922219791e+01 0.88 9.248877683e+01 0.90 8.617016936e+01 0.92 8.024155584e+01 0.94 7.467958756e+01 0.96 6.946229978e+01 0.98 6.456903007e+01 1.00 5.998034128e+01 1.02 5.567794918e+01 1.04 5.164465435e+01 1.06 4.786427803e+01 1.08 4.432160183e+01 1.10 4.100231094e+01 1.12 3.789294076e+01 1.14 3.498082659e+01 1.16 3.225405636e+01 1.18 2.970142613e+01 1.20 2.731239823e+01 1.22 2.507706180e+01 1.24 2.298609579e+01 1.26 2.103073400e+01 1.28 1.920273230e+01 1.30 1.749433773e+01 1.32 1.589825942e+01 1.34 1.440764123e+01 1.36 1.301603605e+01 1.38 1.171738156e+01 1.40 1.050597746e+01 1.42 9.376463992e+00 1.44 8.323801824e+00 1.46 7.343253022e+00 1.48 6.430363208e+00 1.50 5.580944752e+00 1.52 4.791060956e+00 1.54 4.057011180e+00 1.56 3.375316838e+00 1.58 2.742708227e+00 1.60 2.156112133e+00 1.62 1.612640170e+00 1.64 1.109577807e+00 1.66 6.443740440e-01 1.68 2.146316986e-01 1.70 -1.819017331e-01 1.72 -5.473426754e-01 1.74 -8.836795638e-01 1.76 -1.192780456e+00 1.78 -1.476400196e+00 1.80 -1.736187150e+00 1.82 -1.973689544e+00 1.84 -2.190361436e+00 1.86 -2.387568319e+00 1.88 -2.566592403e+00 1.90 -2.728637586e+00 1.92 -2.874834121e+00 1.94 -3.006243015e+00 1.96 -3.123860167e+00 1.98 -3.228620254e+00 2.00 -3.321400394e+00 2.02 -3.403023590e+00 2.04 -3.474261971e+00 2.06 -3.535839835e+00 2.08 -3.588436517e+00 2.10 -3.632689091e+00 2.12 -3.669194898e+00 2.14 -3.698513942e+00 2.16 -3.721171125e+00 2.18 -3.737658366e+00 2.20 -3.748436585e+00 2.22 -3.753937567e+00 2.24 -3.754565728e+00 2.26 -3.750699757e+00 2.28 -3.742694179e+00 2.30 -3.730880815e+00 2.32 -3.715570154e+00 2.34 -3.697052649e+00 2.36 -3.675599934e+00 2.38 -3.651465965e+00 2.40 -3.624888099e+00 2.42 -3.596088102e+00 2.44 -3.565273106e+00 2.46 -3.532636497e+00 2.48 -3.498358759e+00 2.50 -3.462608266e+00 2.52 -3.425542026e+00 2.54 -3.387306377e+00 2.56 -3.348037647e+00 2.58 -3.307862771e+00 2.60 -3.266899876e+00 2.62 -3.225258818e+00 2.64 -3.183041708e+00 2.66 -3.140343383e+00 2.68 -3.097251866e+00 2.70 -3.053848794e+00 2.72 -3.010209814e+00 2.74 -2.966033581e+00 2.76 -2.918626943e+00 2.78 -2.867633734e+00 2.80 -2.813294087e+00 2.82 -2.755850939e+00 2.84 -2.695548968e+00 2.86 -2.632633591e+00 2.88 -2.567350010e+00 2.90 -2.499942312e+00 2.92 -2.430652617e+00 2.94 -2.359720283e+00 2.96 -2.287381164e+00 2.98 -2.213866915e+00 3.00 -2.139404355e+00 3.02 -2.064214876e+00 3.04 -1.988513906e+00 3.06 -1.912510418e+00 3.08 -1.836406490e+00 3.10 -1.760396910e+00 3.12 -1.684668829e+00 3.14 -1.609401456e+00 3.16 -1.534765798e+00 3.18 -1.460924437e+00 3.20 -1.388031358e+00 3.22 -1.316231802e+00 3.24 -1.245662163e+00 3.26 -1.176449923e+00 3.28 -1.108713610e+00 3.30 -1.042562802e+00 3.32 -9.780981497e-01 3.34 -9.154114312e-01 3.36 -8.545856367e-01 3.38 -7.956950750e-01 3.40 -7.388055039e-01 3.42 -6.839742838e-01 3.44 -6.312505505e-01 3.46 -5.806754074e-01 3.48 -5.322821343e-01 3.50 -4.860964122e-01 3.52 -4.421365620e-01 3.54 -4.004137962e-01 3.56 -3.609324814e-01 3.58 -3.236904113e-01 3.60 -2.886790875e-01 3.62 -2.558840080e-01 3.64 -2.252849617e-01 3.66 -1.968563274e-01 3.68 -1.705673770e-01 3.70 -1.463825803e-01 3.72 -1.242619123e-01 3.74 -1.041611600e-01 3.76 -8.603222943e-02 3.78 -6.982345085e-02 3.80 -5.547988157e-02 3.82 -4.294360588e-02 3.84 -3.215403095e-02 3.86 -2.304817816e-02 3.88 -1.556096906e-02 3.90 -9.625505476e-03 3.92 -5.173343079e-03 3.94 -2.134757915e-03 3.96 -4.390054121e-04 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