# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Jang-H-S-Kim-K-M-Lee-B-J--Zn-Mg # implementation = 2018--Jang-H-S--Zn-Mg--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 Mg Mg Mg Zn Zn Zn 0.02 2.888691025e+02 -4.608206244e+03 7.261375760e+03 0.04 2.768394410e+02 -4.256062407e+03 6.756845430e+03 0.06 2.652922638e+02 -3.929748565e+03 6.286690848e+03 0.08 2.542087332e+02 -3.627432894e+03 5.848610312e+03 0.10 2.435707309e+02 -3.347409883e+03 5.440453824e+03 0.12 2.333608312e+02 -3.088091831e+03 5.060213234e+03 0.14 2.235622752e+02 -2.848000899e+03 4.706013013e+03 0.16 2.141589451e+02 -2.625761693e+03 4.376101627e+03 0.18 2.051353410e+02 -2.420094331e+03 4.068843450e+03 0.20 1.964765571e+02 -2.229807981e+03 3.782711215e+03 0.22 1.881682595e+02 -2.053794809e+03 3.516278936e+03 0.24 1.801966648e+02 -1.891024351e+03 3.268215290e+03 0.26 1.725485191e+02 -1.740538238e+03 3.037277434e+03 0.28 1.652110786e+02 -1.601445287e+03 2.822305204e+03 0.30 1.581720895e+02 -1.472916915e+03 2.622215708e+03 0.32 1.514197703e+02 -1.354182856e+03 2.435998248e+03 0.34 1.449427935e+02 -1.244527166e+03 2.262709591e+03 0.36 1.387302689e+02 -1.143284500e+03 2.101469529e+03 0.38 1.327717263e+02 -1.049836631e+03 1.951456737e+03 0.40 1.270571005e+02 -9.636092066e+02 1.811904893e+03 0.42 1.215767152e+02 -8.840687256e+02 1.682099058e+03 0.44 1.163212689e+02 -8.107197143e+02 1.561372280e+03 0.46 1.112818202e+02 -7.431020948e+02 1.449102430e+03 0.48 1.064497744e+02 -6.807887310e+02 1.344709236e+03 0.50 1.018168700e+02 -6.233831408e+02 1.247651513e+03 0.52 9.737516680e+01 -5.705173627e+02 1.157424576e+03 0.54 9.311703270e+01 -5.218499673e+02 1.073557815e+03 0.56 8.903513267e+01 -4.770642036e+02 9.956124372e+02 0.58 8.512241718e+01 -4.358662725e+02 9.231793505e+02 0.60 8.137211134e+01 -3.979837162e+02 8.558771868e+02 0.62 7.777770445e+01 -3.631639194e+02 7.933504562e+02 0.64 7.433293991e+01 -3.311727114e+02 7.352678211e+02 0.66 7.103180550e+01 -3.017930652e+02 6.813204845e+02 0.68 6.786852407e+01 -2.748238847e+02 6.312206826e+02 0.70 6.483754453e+01 -2.500788765e+02 5.847002783e+02 0.72 6.193353320e+01 -2.273854981e+02 5.415094465e+02 0.74 5.915136548e+01 -2.065839794e+02 5.014154455e+02 0.76 5.648611785e+01 -1.875264118e+02 4.642014705e+02 0.78 5.393306014e+01 -1.700759001e+02 4.296655824e+02 0.80 5.148764814e+01 -1.541057731e+02 3.976197069e+02 0.82 4.914551640e+01 -1.394988495e+02 3.678887006e+02 0.84 4.690247144e+01 -1.261467541e+02 3.403094786e+02 0.86 4.475448504e+01 -1.139492830e+02 3.147302000e+02 0.88 4.269768798e+01 -1.028138116e+02 2.910095075e+02 0.90 4.072836382e+01 -9.265474519e+01 2.690158175e+02 0.92 3.884294308e+01 -8.339300748e+01 2.486266573e+02 0.94 3.703799754e+01 -7.495556547e+01 2.297280470e+02 0.96 3.531023479e+01 -6.727498751e+01 2.122139217e+02 0.98 3.365649301e+01 -6.028903265e+01 1.959855934e+02 1.00 3.207373587e+01 -5.394026905e+01 1.809512477e+02 1.02 3.055904771e+01 -4.817571948e+01 1.670254751e+02 1.04 2.910962888e+01 -4.294653189e+01 1.541288334e+02 1.06 2.772279122e+01 -3.820767357e+01 1.421874389e+02 1.08 2.639595374e+01 -3.391764706e+01 1.311325862e+02 1.10 2.512663849e+01 -3.003822642e+01 1.209003925e+02 1.12 2.391246652e+01 -2.653421239e+01 1.114314664e+02 1.14 2.275115406e+01 -2.337320518e+01 1.026705988e+02 1.16 2.164050881e+01 -2.052539360e+01 9.456647493e+01 1.18 2.057842639e+01 -1.796335942e+01 8.707140529e+01 1.20 1.956288692e+01 -1.566189597e+01 8.014107552e+01 1.22 1.859195168e+01 -1.359783982e+01 7.373431263e+01 1.24 1.766376004e+01 -1.174991476e+01 6.781286738e+01 1.26 1.677652630e+01 -1.009858719e+01 6.234121129e+01 1.28 1.592853687e+01 -8.625932034e+00 5.728634757e+01 1.30 1.511814735e+01 -7.315508570e+00 5.261763484e+01 1.32 1.434377993e+01 -6.152245342e+00 4.830662294e+01 1.34 1.360392068e+01 -5.122333601e+00 4.432689986e+01 1.36 1.289711712e+01 -4.213128625e+00 4.065394921e+01 1.38 1.222197578e+01 -3.413058374e+00 3.726501744e+01 1.40 1.157715988e+01 -2.711538943e+00 3.413899011e+01 1.42 1.096138711e+01 -2.098896341e+00 3.125627672e+01 1.44 1.037342751e+01 -1.566294130e+00 2.859870342e+01 1.46 9.812101350e+00 -1.105666512e+00 2.614941310e+01 1.48 9.276277210e+00 -7.096564607e-01 2.389277239e+01 1.50 8.764870036e+00 -3.715585453e-01 2.181428510e+01 1.52 8.276839322e+00 -8.526609313e-02 1.990051158e+01 1.54 7.811187344e+00 1.547776119e-01 1.813899373e+01 1.56 7.366957462e+00 3.536243976e-01 1.651818519e+01 1.58 6.943232491e+00 5.158628076e-01 1.502738635e+01 1.60 6.539133130e+00 6.456564965e-01 1.365668393e+01 1.62 6.153816453e+00 7.467796508e-01 1.239689476e+01 1.64 5.786474457e+00 8.226496562e-01 1.123951342e+01 1.66 5.436332667e+00 8.763572136e-01 1.017666365e+01 1.68 5.102648786e+00 9.106940934e-01 9.201053071e+00 1.70 4.784711409e+00 9.281787046e-01 8.305931124e+00 1.72 4.481838775e+00 9.310796403e-01 7.485049951e+00 1.74 4.193377568e+00 9.214373519e-01 6.732628035e+00 1.76 3.918701771e+00 9.010840931e-01 6.043316403e+00 1.78 3.657211552e+00 8.716622626e-01 5.412167211e+00 1.80 3.408332201e+00 8.346412684e-01 4.834604550e+00 1.82 3.171513104e+00 7.913330241e-01 4.306397335e+00 1.84 2.946226756e+00 7.429061830e-01 3.823634100e+00 1.86 2.731967813e+00 6.903992052e-01 3.382699600e+00 1.88 2.528252177e+00 6.347323488e-01 2.980253074e+00 1.90 2.334616120e+00 5.767186657e-01 2.613208064e+00 1.92 2.150615444e+00 5.170740819e-01 2.278713677e+00 1.94 1.975824663e+00 4.564266310e-01 1.974137191e+00 1.96 1.809836231e+00 3.953249083e-01 1.697047908e+00 1.98 1.652259793e+00 3.342458060e-01 1.445202179e+00 2.00 1.502721463e+00 2.736015865e-01 1.216529500e+00 2.02 1.360863140e+00 2.137463455e-01 1.009119619e+00 2.04 1.226341846e+00 1.549819138e-01 8.212105831e-01 2.06 1.098829092e+00 9.756324257e-02 6.511776446e-01 2.08 9.780102733e-01 4.170331360e-02 4.975229865e-01 2.10 8.635840853e-01 -1.242238781e-02 3.588661942e-01 2.12 7.552619704e-01 -6.467180101e-02 2.339354281e-01 2.14 6.527675849e-01 -1.149325871e-01 1.215592460e-01 2.16 5.558362906e-01 -1.631187644e-01 2.065902954e-02 2.18 4.642146682e-01 -2.091676549e-01 -6.975802849e-02 2.20 3.776600529e-01 -2.530371154e-01 -1.506054144e-01 2.22 2.959400908e-01 -2.947030293e-01 -2.227232996e-01 2.24 2.188323141e-01 -3.341570386e-01 -2.868840966e-01 2.26 1.461237364e-01 -3.714044938e-01 -3.437975964e-01 2.28 7.761046545e-02 -4.064626048e-01 -3.941157182e-01 2.30 1.309733294e-02 -4.393587744e-01 -4.384368986e-01 2.32 -4.760245929e-02 -4.701290992e-01 -4.773101472e-01 2.34 -1.046676781e-01 -4.988170237e-01 -5.112387925e-01 2.36 -1.582693832e-01 -5.254721324e-01 -5.406839418e-01 2.38 -2.085712385e-01 -5.501490701e-01 -5.660676757e-01 2.40 -2.557298102e-01 -5.729065765e-01 -5.877759998e-01 2.42 -2.998948531e-01 -5.938066263e-01 -6.061615700e-01 2.44 -3.412095870e-01 -6.129136647e-01 -6.215462137e-01 2.46 -3.798109610e-01 -6.302939283e-01 -6.342232606e-01 2.48 -4.158299099e-01 -6.460148457e-01 -6.444597037e-01 2.50 -4.493916001e-01 -6.601445068e-01 -6.524982043e-01 2.52 -4.806156680e-01 -6.727511973e-01 -6.585589576e-01 2.54 -5.096164495e-01 -6.839029890e-01 -6.628414341e-01 2.56 -5.365032020e-01 -6.936673818e-01 -6.655260104e-01 2.58 -5.613803190e-01 -7.021109907e-01 -6.667755032e-01 2.60 -5.843475374e-01 -7.092992734e-01 -6.667366185e-01 2.62 -6.055001373e-01 -7.152962919e-01 -6.655413279e-01 2.64 -6.249291357e-01 -7.201645052e-01 -6.633081805e-01 2.66 -6.427214728e-01 -7.239645873e-01 -6.601435579e-01 2.68 -6.589601915e-01 -7.267552654e-01 -6.561428796e-01 2.70 -6.737246107e-01 -7.285931752e-01 -6.513917587e-01 2.72 -6.870904911e-01 -7.295327263e-01 -6.459671105e-01 2.74 -6.991301956e-01 -7.296259738e-01 -6.399382092e-01 2.76 -7.099128419e-01 -7.289224902e-01 -6.333676888e-01 2.78 -7.195044491e-01 -7.274692297e-01 -6.263124780e-01 2.80 -7.279680782e-01 -7.253103789e-01 -6.188246608e-01 2.82 -7.353639656e-01 -7.224871830e-01 -6.109522513e-01 2.84 -7.417496505e-01 -7.190377372e-01 -6.027398711e-01 2.86 -7.471800967e-01 -7.149967292e-01 -5.942293211e-01 2.88 -7.517078074e-01 -7.103951160e-01 -5.854600411e-01 2.90 -7.553829354e-01 -7.052597137e-01 -5.764694542e-01 2.92 -7.582533868e-01 -6.996126740e-01 -5.672931992e-01 2.94 -7.603649197e-01 -6.934708179e-01 -5.579652585e-01 2.96 -7.617612379e-01 -6.868447889e-01 -5.485179949e-01 2.98 -7.624840790e-01 -6.797379868e-01 -5.389821156e-01 3.00 -7.625732990e-01 -6.721452427e-01 -5.293865834e-01 3.02 -7.620669515e-01 -6.640512076e-01 -5.197584981e-01 3.04 -7.610013632e-01 -6.554284576e-01 -5.101229713e-01 3.06 -7.594112057e-01 -6.462353847e-01 -5.005030141e-01 3.08 -7.573295631e-01 -6.364140752e-01 -4.909194540e-01 3.10 -7.547879972e-01 -6.258886066e-01 -4.813908948e-01 3.12 -7.518166083e-01 -6.145645691e-01 -4.719337237e-01 3.14 -7.484440943e-01 -6.023311687e-01 -4.625621685e-01 3.16 -7.446978065e-01 -5.890679431e-01 -4.532884003e-01 3.18 -7.406038028e-01 -5.746586983e-01 -4.441226736e-01 3.20 -7.361868994e-01 -5.590151718e-01 -4.350734956e-01 3.22 -7.314707189e-01 -5.421111675e-01 -4.261478110e-01 3.24 -7.264777381e-01 -5.240234568e-01 -4.173511923e-01 3.26 -7.212293328e-01 -5.049687112e-01 -4.086880268e-01 3.28 -7.157458216e-01 -4.853191532e-01 -4.001616903e-01 3.30 -7.100465074e-01 -4.655796643e-01 -3.917747041e-01 3.32 -7.041497179e-01 -4.463210018e-01 -3.835288719e-01 3.34 -6.980728449e-01 -4.280845470e-01 -3.754253962e-01 3.36 -6.918323818e-01 -4.112905663e-01 -3.674649743e-01 3.38 -6.854439601e-01 -3.961813314e-01 -3.596478781e-01 3.40 -6.789223844e-01 -3.828127596e-01 -3.519740182e-01 3.42 -6.722816670e-01 -3.710867194e-01 -3.444429967e-01 3.44 -6.655350607e-01 -3.608039875e-01 -3.370541503e-01 3.46 -6.586950905e-01 -3.517181577e-01 -3.298065871e-01 3.48 -6.517735853e-01 -3.435783263e-01 -3.226992169e-01 3.50 -6.447817070e-01 -3.361565656e-01 -3.157307780e-01 3.52 -6.377299805e-01 -3.292616117e-01 -3.088998603e-01 3.54 -6.306283208e-01 -3.227424653e-01 -3.022049264e-01 3.56 -6.234860610e-01 -3.164857855e-01 -2.956443297e-01 3.58 -6.163119781e-01 -3.104101889e-01 -2.892163307e-01 3.60 -6.091143188e-01 -3.044595776e-01 -2.829191120e-01 3.62 -6.019008235e-01 -2.985967593e-01 -2.767507915e-01 3.64 -5.946787505e-01 -2.927979908e-01 -2.707094339e-01 3.66 -5.874548987e-01 -2.870486589e-01 -2.647930616e-01 3.68 -5.802356295e-01 -2.813400662e-01 -2.589996640e-01 3.70 -5.730268882e-01 -2.756671669e-01 -2.533272057e-01 3.72 -5.658342243e-01 -2.700270511e-01 -2.477736343e-01 3.74 -5.586628114e-01 -2.644179806e-01 -2.423368868e-01 3.76 -5.515174658e-01 -2.588388075e-01 -2.370148955e-01 3.78 -5.444026649e-01 -2.532886433e-01 -2.318055929e-01 3.80 -5.373225645e-01 -2.477666842e-01 -2.267069169e-01 3.82 -5.302810154e-01 -2.422721275e-01 -2.217168142e-01 3.84 -5.232815799e-01 -2.368041404e-01 -2.168332439e-01 3.86 -5.163275464e-01 -2.313618542e-01 -2.120541806e-01 3.88 -5.094219447e-01 -2.259443738e-01 -2.073776172e-01 3.90 -5.025675596e-01 -2.205507917e-01 -2.028015667e-01 3.92 -4.957669445e-01 -2.151802067e-01 -1.983240647e-01 3.94 -4.890224342e-01 -2.098317424e-01 -1.939431705e-01 3.96 -4.823361570e-01 -2.045045665e-01 -1.896569687e-01 3.98 -4.757100464e-01 -1.991979106e-01 -1.854635705e-01 4.00 -4.691458520e-01 -1.939110893e-01 -1.813611144e-01 4.02 -4.626451504e-01 -1.886435193e-01 -1.773477670e-01 4.04 -4.562093547e-01 -1.833947385e-01 -1.734217237e-01 4.06 -4.498397247e-01 -1.781644240e-01 -1.695812089e-01 4.08 -4.435373752e-01 -1.729524104e-01 -1.658244767e-01 4.10 -4.373032853e-01 -1.677587062e-01 -1.621498106e-01 4.12 -4.311383061e-01 -1.625835103e-01 -1.585555241e-01 4.14 -4.250431687e-01 -1.574272266e-01 -1.550399603e-01 4.16 -4.190184914e-01 -1.522904777e-01 -1.516014921e-01 4.18 -4.130647868e-01 -1.471741164e-01 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