# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Jang-H-S-Kim-K-M-Lee-B-J--Zn # implementation = 2018--Jang-H-S--Zn--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 Zn Zn 0.02 7.261375760e+03 0.04 6.756845430e+03 0.06 6.286690848e+03 0.08 5.848610312e+03 0.10 5.440453824e+03 0.12 5.060213234e+03 0.14 4.706013013e+03 0.16 4.376101627e+03 0.18 4.068843450e+03 0.20 3.782711215e+03 0.22 3.516278936e+03 0.24 3.268215290e+03 0.26 3.037277434e+03 0.28 2.822305204e+03 0.30 2.622215708e+03 0.32 2.435998248e+03 0.34 2.262709591e+03 0.36 2.101469529e+03 0.38 1.951456737e+03 0.40 1.811904893e+03 0.42 1.682099058e+03 0.44 1.561372280e+03 0.46 1.449102430e+03 0.48 1.344709236e+03 0.50 1.247651513e+03 0.52 1.157424576e+03 0.54 1.073557815e+03 0.56 9.956124372e+02 0.58 9.231793505e+02 0.60 8.558771868e+02 0.62 7.933504562e+02 0.64 7.352678211e+02 0.66 6.813204845e+02 0.68 6.312206826e+02 0.70 5.847002783e+02 0.72 5.415094465e+02 0.74 5.014154455e+02 0.76 4.642014705e+02 0.78 4.296655824e+02 0.80 3.976197069e+02 0.82 3.678887006e+02 0.84 3.403094786e+02 0.86 3.147302000e+02 0.88 2.910095075e+02 0.90 2.690158175e+02 0.92 2.486266573e+02 0.94 2.297280470e+02 0.96 2.122139217e+02 0.98 1.959855934e+02 1.00 1.809512477e+02 1.02 1.670254751e+02 1.04 1.541288334e+02 1.06 1.421874389e+02 1.08 1.311325862e+02 1.10 1.209003925e+02 1.12 1.114314664e+02 1.14 1.026705988e+02 1.16 9.456647493e+01 1.18 8.707140529e+01 1.20 8.014107552e+01 1.22 7.373431263e+01 1.24 6.781286738e+01 1.26 6.234121129e+01 1.28 5.728634757e+01 1.30 5.261763484e+01 1.32 4.830662294e+01 1.34 4.432689986e+01 1.36 4.065394921e+01 1.38 3.726501744e+01 1.40 3.413899011e+01 1.42 3.125627672e+01 1.44 2.859870342e+01 1.46 2.614941310e+01 1.48 2.389277239e+01 1.50 2.181428510e+01 1.52 1.990051158e+01 1.54 1.813899373e+01 1.56 1.651818519e+01 1.58 1.502738635e+01 1.60 1.365668393e+01 1.62 1.239689476e+01 1.64 1.123951342e+01 1.66 1.017666365e+01 1.68 9.201053071e+00 1.70 8.305931124e+00 1.72 7.485049951e+00 1.74 6.732628035e+00 1.76 6.043316403e+00 1.78 5.412167211e+00 1.80 4.834604550e+00 1.82 4.306397335e+00 1.84 3.823634100e+00 1.86 3.382699600e+00 1.88 2.980253074e+00 1.90 2.613208064e+00 1.92 2.278713677e+00 1.94 1.974137191e+00 1.96 1.697047908e+00 1.98 1.445202179e+00 2.00 1.216529500e+00 2.02 1.009119619e+00 2.04 8.212105831e-01 2.06 6.511776446e-01 2.08 4.975229865e-01 2.10 3.588661942e-01 2.12 2.339354281e-01 2.14 1.215592460e-01 2.16 2.065902954e-02 2.18 -6.975802849e-02 2.20 -1.506054144e-01 2.22 -2.227232996e-01 2.24 -2.868840966e-01 2.26 -3.437975964e-01 2.28 -3.941157182e-01 2.30 -4.384368986e-01 2.32 -4.773101472e-01 2.34 -5.112387925e-01 2.36 -5.406839418e-01 2.38 -5.660676757e-01 2.40 -5.877759998e-01 2.42 -6.061615700e-01 2.44 -6.215462137e-01 2.46 -6.342232606e-01 2.48 -6.444597037e-01 2.50 -6.524982043e-01 2.52 -6.585589576e-01 2.54 -6.628414341e-01 2.56 -6.655260104e-01 2.58 -6.667755032e-01 2.60 -6.667366185e-01 2.62 -6.655413279e-01 2.64 -6.633081805e-01 2.66 -6.601435579e-01 2.68 -6.561428796e-01 2.70 -6.513917587e-01 2.72 -6.459671105e-01 2.74 -6.399382092e-01 2.76 -6.333676888e-01 2.78 -6.263124780e-01 2.80 -6.188246608e-01 2.82 -6.109522513e-01 2.84 -6.027398711e-01 2.86 -5.942293211e-01 2.88 -5.854600411e-01 2.90 -5.764694542e-01 2.92 -5.672931992e-01 2.94 -5.579652585e-01 2.96 -5.485179949e-01 2.98 -5.389821156e-01 3.00 -5.293865834e-01 3.02 -5.197584981e-01 3.04 -5.101229713e-01 3.06 -5.005030141e-01 3.08 -4.909194540e-01 3.10 -4.813908948e-01 3.12 -4.719337237e-01 3.14 -4.625621685e-01 3.16 -4.532884003e-01 3.18 -4.441226736e-01 3.20 -4.350734956e-01 3.22 -4.261478110e-01 3.24 -4.173511923e-01 3.26 -4.086880268e-01 3.28 -4.001616903e-01 3.30 -3.917747041e-01 3.32 -3.835288719e-01 3.34 -3.754253962e-01 3.36 -3.674649743e-01 3.38 -3.596478781e-01 3.40 -3.519740182e-01 3.42 -3.444429967e-01 3.44 -3.370541503e-01 3.46 -3.298065871e-01 3.48 -3.226992169e-01 3.50 -3.157307780e-01 3.52 -3.088998603e-01 3.54 -3.022049264e-01 3.56 -2.956443297e-01 3.58 -2.892163307e-01 3.60 -2.829191120e-01 3.62 -2.767507915e-01 3.64 -2.707094339e-01 3.66 -2.647930616e-01 3.68 -2.589996640e-01 3.70 -2.533272057e-01 3.72 -2.477736343e-01 3.74 -2.423368868e-01 3.76 -2.370148955e-01 3.78 -2.318055929e-01 3.80 -2.267069169e-01 3.82 -2.217168142e-01 3.84 -2.168332439e-01 3.86 -2.120541806e-01 3.88 -2.073776172e-01 3.90 -2.028015667e-01 3.92 -1.983240647e-01 3.94 -1.939431705e-01 3.96 -1.896569687e-01 3.98 -1.854635705e-01 4.00 -1.813611144e-01 4.02 -1.773477670e-01 4.04 -1.734217237e-01 4.06 -1.695812089e-01 4.08 -1.658244767e-01 4.10 -1.621498106e-01 4.12 -1.585555241e-01 4.14 -1.550399603e-01 4.16 -1.516014921e-01 4.18 -1.482385220e-01 4.20 -1.449494820e-01 4.22 -1.417328331e-01 4.24 -1.385870653e-01 4.26 -1.355106972e-01 4.28 -1.325022758e-01 4.30 -1.295603758e-01 4.32 -1.266835995e-01 4.34 -1.238705764e-01 4.36 -1.211199626e-01 4.38 -1.184304407e-01 4.40 -1.158007189e-01 4.42 -1.132295310e-01 4.44 -1.107156360e-01 4.46 -1.082578170e-01 4.48 -1.058548817e-01 4.50 -1.035056612e-01 4.52 -1.012090101e-01 4.54 -9.896380567e-02 4.56 -9.676894768e-02 4.58 -9.462335790e-02 4.60 -9.252597969e-02 4.62 -9.047577760e-02 4.64 -8.847173696e-02 4.66 -8.651286350e-02 4.68 -8.459818294e-02 4.70 -8.272674064e-02 4.72 -8.089760121e-02 4.74 -7.910984813e-02 4.76 -7.736258342e-02 4.78 -7.565492728e-02 4.80 -7.398601770e-02 4.82 -7.235501020e-02 4.84 -7.076107742e-02 4.86 -6.920340884e-02 4.88 -6.768121044e-02 4.90 -6.619370441e-02 4.92 -6.474012881e-02 4.94 -6.331973727e-02 4.96 -6.193179874e-02 4.98 -6.057559713e-02 5.00 -5.925043109e-02 5.02 -5.795561369e-02 5.04 -5.669047214e-02 5.06 -5.545434756e-02 5.08 -5.424659468e-02 5.10 -5.306658158e-02 5.12 -5.191368947e-02 5.14 -5.078731240e-02 5.16 -4.968685702e-02 5.18 -4.861174235e-02 5.20 -4.756139953e-02 5.22 -4.653527162e-02 5.24 -4.553281330e-02 5.26 -4.455349071e-02 5.28 -4.359678119e-02 5.30 -4.266217307e-02 5.32 -4.174916545e-02 5.34 -4.085726801e-02 5.36 -3.998600076e-02 5.38 -3.913489387e-02 5.40 -3.830348744e-02 5.42 -3.749133134e-02 5.44 -3.669798495e-02 5.46 -3.592301702e-02 5.48 -3.516600548e-02 5.50 -3.442653720e-02 5.52 -3.370420786e-02 5.54 -3.299862174e-02 5.56 -3.230939155e-02 5.58 -3.163613825e-02 5.60 -3.097849089e-02 5.62 -3.033608639e-02 5.64 -2.970856945e-02 5.66 -2.909559232e-02 5.68 -2.849681464e-02 5.70 -2.791190334e-02 5.72 -2.734053239e-02 5.74 -2.678238274e-02 5.76 -2.623714209e-02 5.78 -2.570450478e-02 5.80 -2.518417161e-02 5.82 -2.467584976e-02 5.84 -2.417925255e-02 5.86 -2.369409940e-02 5.88 -2.322011562e-02 5.90 -2.275703230e-02 5.92 -2.224861515e-02 5.94 -2.098831668e-02 5.96 -1.719693669e-02 5.98 -8.960086610e-03 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