# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--Cs # implementation = 2016--Nichol-A--Cs--LAMMPS--ipr2 # 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 Cs Cs 0.02 1.724833081e+06 0.04 7.054308795e+05 0.06 3.934808163e+05 0.08 2.508110067e+05 0.10 1.724248526e+05 0.12 1.244846249e+05 0.14 9.302798045e+04 0.16 7.133913156e+04 0.18 5.582610225e+04 0.20 4.441168872e+04 0.22 3.582093665e+04 0.24 2.923398061e+04 0.26 2.410364196e+04 0.28 2.005354691e+04 0.30 1.681827611e+04 0.32 1.420669685e+04 0.34 1.207869077e+04 0.36 1.032993550e+04 0.38 8.881695898e+03 0.40 7.673824120e+03 0.42 6.659867685e+03 0.44 5.803593398e+03 0.46 5.076480702e+03 0.48 4.455890281e+03 0.50 3.923710132e+03 0.52 3.465343875e+03 0.54 3.068947380e+03 0.56 2.724847556e+03 0.58 2.425096137e+03 0.60 2.163124424e+03 0.62 1.933474209e+03 0.64 1.731586606e+03 0.66 1.553635254e+03 0.68 1.396393752e+03 0.70 1.257129665e+03 0.72 1.133519312e+03 0.74 1.023578879e+03 0.76 9.256084324e+02 0.78 8.381462051e+02 0.80 7.599310773e+02 0.82 6.898716437e+02 0.84 6.270205968e+02 0.86 5.705534207e+02 0.88 5.197505969e+02 0.90 4.739826828e+02 0.92 4.326977525e+02 0.94 3.954107856e+02 0.96 3.616946711e+02 0.98 3.311725548e+02 1.00 3.035113120e+02 1.02 2.782949103e+02 1.04 2.551868122e+02 1.06 2.340134036e+02 1.08 2.146148416e+02 1.10 1.968440321e+02 1.12 1.805656780e+02 1.14 1.656553906e+02 1.16 1.519988601e+02 1.18 1.394910831e+02 1.20 1.280356435e+02 1.22 1.175440433e+02 1.24 1.079350823e+02 1.26 9.913428108e+01 1.28 9.107334717e+01 1.30 8.368967982e+01 1.32 7.692591214e+01 1.34 7.072948762e+01 1.36 6.505226876e+01 1.38 5.985017579e+01 1.40 5.508285337e+01 1.42 5.071336323e+01 1.44 4.670790103e+01 1.46 4.303553562e+01 1.48 3.966796906e+01 1.50 3.657931599e+01 1.52 3.374590072e+01 1.54 3.114607091e+01 1.56 2.876002634e+01 1.58 2.656966189e+01 1.60 2.455842338e+01 1.62 2.271117541e+01 1.64 2.101408018e+01 1.66 1.945448646e+01 1.68 1.802082791e+01 1.70 1.670252993e+01 1.72 1.548992438e+01 1.74 1.437417161e+01 1.76 1.334718903e+01 1.78 1.240158585e+01 1.80 1.153060334e+01 1.82 1.072806029e+01 1.84 9.988303098e+00 1.86 9.306160161e+00 1.88 8.676900237e+00 1.90 8.096194381e+00 1.92 7.560081175e+00 1.94 7.064934984e+00 1.96 6.607436957e+00 1.98 6.184548553e+00 2.00 5.793487368e+00 2.02 5.431705061e+00 2.04 5.096867213e+00 2.06 4.786834926e+00 2.08 4.499648038e+00 2.10 4.233509794e+00 2.12 3.986772854e+00 2.14 3.757926528e+00 2.16 3.545585109e+00 2.18 3.348477238e+00 2.20 3.165436188e+00 2.22 2.995390992e+00 2.24 2.837358350e+00 2.26 2.690435234e+00 2.28 2.553792139e+00 2.30 2.426666921e+00 2.32 2.308359170e+00 2.34 2.198225068e+00 2.36 2.095672699e+00 2.38 2.000157762e+00 2.40 1.911179653e+00 2.42 1.828277897e+00 2.44 1.751028876e+00 2.46 1.679042849e+00 2.48 1.593606752e+00 2.50 1.500317957e+00 2.52 1.411012863e+00 2.54 1.325658718e+00 2.56 1.244224350e+00 2.58 1.166679432e+00 2.60 1.092993871e+00 2.62 1.023137303e+00 2.64 9.570786862e-01 2.66 8.947859897e-01 2.68 8.362259553e-01 2.70 7.813639355e-01 2.72 7.301637974e-01 2.74 6.825878853e-01 2.76 6.385970378e-01 2.78 5.981506550e-01 2.80 5.612067684e-01 2.82 5.268956044e-01 2.84 4.941913939e-01 2.86 4.629550055e-01 2.88 4.330691666e-01 2.90 4.044248862e-01 2.92 3.769210372e-01 2.94 3.504639531e-01 2.96 3.249670387e-01 2.98 3.003503950e-01 3.00 2.765404580e-01 3.02 2.534696509e-01 3.04 2.310760486e-01 3.06 2.093030558e-01 3.08 1.880990967e-01 3.10 1.674173176e-01 3.12 1.472153005e-01 3.14 1.274547887e-01 3.16 1.081014229e-01 3.18 8.912448894e-02 3.20 7.049667587e-02 3.22 5.219384384e-02 3.24 3.419480263e-02 3.26 1.648109958e-02 3.28 -9.631829236e-04 3.30 -1.815162075e-02 3.32 -3.509340910e-02 3.34 -5.175175460e-02 3.36 -6.811021451e-02 3.38 -8.416883535e-02 3.40 -9.992794704e-02 3.42 -1.153881421e-01 3.44 -1.305502558e-01 3.46 -1.454153476e-01 3.48 -1.599846831e-01 3.50 -1.742597173e-01 3.52 -1.882420785e-01 3.54 -2.019335531e-01 3.56 -2.153360713e-01 3.58 -2.284516937e-01 3.60 -2.412825983e-01 3.62 -2.538310687e-01 3.64 -2.660994830e-01 3.66 -2.780903026e-01 3.68 -2.898060631e-01 3.70 -3.012493644e-01 3.72 -3.124228625e-01 3.74 -3.233292611e-01 3.76 -3.339713045e-01 3.78 -3.443517705e-01 3.80 -3.544734641e-01 3.82 -3.643392116e-01 3.84 -3.739518552e-01 3.86 -3.833142483e-01 3.88 -3.924292509e-01 3.90 -4.012997254e-01 3.92 -4.099285334e-01 3.94 -4.183185320e-01 3.96 -4.264725715e-01 3.98 -4.343934922e-01 4.00 -4.420841228e-01 4.02 -4.495472785e-01 4.04 -4.567857591e-01 4.06 -4.638023479e-01 4.08 -4.705998108e-01 4.10 -4.771808956e-01 4.12 -4.835483311e-01 4.14 -4.897048274e-01 4.16 -4.956530752e-01 4.18 -5.013957464e-01 4.20 -5.069354941e-01 4.22 -5.122749533e-01 4.24 -5.174167411e-01 4.26 -5.223634580e-01 4.28 -5.271176886e-01 4.30 -5.316820021e-01 4.32 -5.360589543e-01 4.34 -5.402510881e-01 4.36 -5.442609351e-01 4.38 -5.480910170e-01 4.40 -5.517438468e-01 4.42 -5.552219306e-01 4.44 -5.585277690e-01 4.46 -5.616638584e-01 4.48 -5.646326933e-01 4.50 -5.674367672e-01 4.52 -5.700785746e-01 4.54 -5.725606126e-01 4.56 -5.748853827e-01 4.58 -5.770553922e-01 4.60 -5.790731557e-01 4.62 -5.809411974e-01 4.64 -5.826620517e-01 4.66 -5.842382656e-01 4.68 -5.856723997e-01 4.70 -5.869670300e-01 4.72 -5.881247488e-01 4.74 -5.891481669e-01 4.76 -5.900399141e-01 4.78 -5.908026408e-01 4.80 -5.914390193e-01 4.82 -5.919517447e-01 4.84 -5.923435361e-01 4.86 -5.926171374e-01 4.88 -5.927753184e-01 4.90 -5.928208756e-01 4.92 -5.927566326e-01 4.94 -5.925854413e-01 4.96 -5.923101821e-01 4.98 -5.919337645e-01 5.00 -5.914591274e-01 5.02 -5.908892395e-01 5.04 -5.902270995e-01 5.06 -5.894757363e-01 5.08 -5.886382088e-01 5.10 -5.877176062e-01 5.12 -5.867170474e-01 5.14 -5.856396812e-01 5.16 -5.844886857e-01 5.18 -5.832672681e-01 5.20 -5.819786637e-01 5.22 -5.806261361e-01 5.24 -5.792129756e-01 5.26 -5.777424993e-01 5.28 -5.762192748e-01 5.30 -5.746650623e-01 5.32 -5.730865485e-01 5.34 -5.714830375e-01 5.36 -5.698531601e-01 5.38 -5.681952207e-01 5.40 -5.665072852e-01 5.42 -5.647871899e-01 5.44 -5.630325493e-01 5.46 -5.612407658e-01 5.48 -5.594090397e-01 5.50 -5.575343792e-01 5.52 -5.556136119e-01 5.54 -5.536433958e-01 5.56 -5.516202312e-01 5.58 -5.495404738e-01 5.60 -5.474003469e-01 5.62 -5.451959549e-01 5.64 -5.429232972e-01 5.66 -5.405782819e-01 5.68 -5.381567407e-01 5.70 -5.356544431e-01 5.72 -5.330671118e-01 5.74 -5.303904378e-01 5.76 -5.276200959e-01 5.78 -5.247517606e-01 5.80 -5.217811217e-01 5.82 -5.187039006e-01 5.84 -5.155158583e-01 5.86 -5.122122206e-01 5.88 -5.087872840e-01 5.90 -5.052353447e-01 5.92 -5.015508117e-01 5.94 -4.977282233e-01 5.96 -4.937622631e-01 5.98 -4.896477760e-01 6.00 -4.853797847e-01 6.02 -4.809535051e-01 6.04 -4.763643623e-01 6.06 -4.716080057e-01 6.08 -4.666803246e-01 6.10 -4.615774629e-01 6.12 -4.562958336e-01 6.14 -4.508321335e-01 6.16 -4.451833569e-01 6.18 -4.393468090e-01 6.20 -4.333201193e-01 6.22 -4.270852355e-01 6.24 -4.206304494e-01 6.26 -4.139681231e-01 6.28 -4.071106877e-01 6.30 -4.000705846e-01 6.32 -3.928602430e-01 6.34 -3.854920589e-01 6.36 -3.779783739e-01 6.38 -3.703314544e-01 6.40 -3.625634723e-01 6.42 -3.546864856e-01 6.44 -3.467124193e-01 6.46 -3.386530481e-01 6.48 -3.305199788e-01 6.50 -3.223246338e-01 6.52 -3.140782456e-01 6.54 -3.057920383e-01 6.56 -2.974771990e-01 6.58 -2.891446800e-01 6.60 -2.808051785e-01 6.62 -2.724691254e-01 6.64 -2.641466743e-01 6.66 -2.558476921e-01 6.68 -2.475817501e-01 6.70 -2.393581160e-01 6.72 -2.311857475e-01 6.74 -2.230732855e-01 6.76 -2.150290503e-01 6.78 -2.070610367e-01 6.80 -1.991769118e-01 6.82 -1.913840125e-01 6.84 -1.836893449e-01 6.86 -1.760995844e-01 6.88 -1.686210768e-01 6.90 -1.612598399e-01 6.92 -1.540215675e-01 6.94 -1.469116323e-01 6.96 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