# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Olsson-P-A-T--V # implementation = 2009--Olsson-P-A-T--V--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 V V 0.02 6.277329705e+03 0.04 3.044080608e+03 0.06 1.968186646e+03 0.08 1.431572471e+03 0.10 1.110625144e+03 0.12 8.974753862e+02 0.14 7.458949039e+02 0.16 6.327707224e+02 0.18 5.452632975e+02 0.20 4.756697629e+02 0.22 4.190890433e+02 0.24 3.722544124e+02 0.26 3.329048712e+02 0.28 2.994259366e+02 0.30 2.706341155e+02 0.32 2.456422016e+02 0.34 2.237721154e+02 0.36 2.044967981e+02 0.38 1.874004555e+02 0.40 1.721507288e+02 0.42 1.584788176e+02 0.44 1.461650241e+02 0.46 1.350280689e+02 0.48 1.249170779e+02 0.50 1.157054930e+02 0.52 1.072863883e+02 0.54 9.956882747e+01 0.56 9.247500162e+01 0.58 8.593796009e+01 0.60 7.989980827e+01 0.62 7.431374597e+01 0.64 6.913950564e+01 0.66 6.433958778e+01 0.68 5.988077020e+01 0.70 5.573351664e+01 0.72 5.187148128e+01 0.74 4.827109130e+01 0.76 4.491119355e+01 0.78 4.177275397e+01 0.80 3.883860084e+01 0.82 3.609320460e+01 0.84 3.352248814e+01 0.86 3.111366287e+01 0.88 2.885508647e+01 0.90 2.673613909e+01 0.92 2.474711522e+01 0.94 2.287912899e+01 0.96 2.112403098e+01 0.98 1.947433490e+01 1.00 1.792315283e+01 1.02 1.646413792e+01 1.04 1.509143340e+01 1.06 1.379962738e+01 1.08 1.258371234e+01 1.10 1.143904907e+01 1.12 1.036133434e+01 1.14 9.346571800e+00 1.16 8.391045950e+00 1.18 7.491298576e+00 1.20 6.644107551e+00 1.22 5.846467646e+00 1.24 5.095573162e+00 1.26 4.388802178e+00 1.28 3.723702245e+00 1.30 3.097977375e+00 1.32 2.509476182e+00 1.34 1.956181077e+00 1.36 1.436198388e+00 1.38 9.477493335e-01 1.40 4.891617510e-01 1.42 5.886252044e-02 1.44 -3.446293932e-01 1.46 -7.227093304e-01 1.48 -1.076692815e+00 1.50 -1.407820967e+00 1.52 -1.717265487e+00 1.54 -2.006133261e+00 1.56 -2.275470606e+00 1.58 -2.526267200e+00 1.60 -2.759459707e+00 1.62 -2.975935146e+00 1.64 -3.176534004e+00 1.66 -3.362053122e+00 1.68 -3.533248380e+00 1.70 -3.690837185e+00 1.72 -3.835500781e+00 1.74 -3.967886405e+00 1.76 -4.088609288e+00 1.78 -4.198254515e+00 1.80 -4.297378770e+00 1.82 -4.386511949e+00 1.84 -4.466158673e+00 1.86 -4.536799698e+00 1.88 -4.598893233e+00 1.90 -4.652876172e+00 1.92 -4.699165238e+00 1.94 -4.738158068e+00 1.96 -4.770234214e+00 1.98 -4.795756088e+00 2.00 -4.815069845e+00 2.02 -4.828506209e+00 2.04 -4.836381252e+00 2.06 -4.838997119e+00 2.08 -4.836642711e+00 2.10 -4.829594326e+00 2.12 -4.818116258e+00 2.14 -4.802461367e+00 2.16 -4.782871605e+00 2.18 -4.759578516e+00 2.20 -4.732803705e+00 2.22 -4.702759280e+00 2.24 -4.669648263e+00 2.26 -4.633664986e+00 2.28 -4.594995451e+00 2.30 -4.553817682e+00 2.32 -4.510302046e+00 2.34 -4.464611564e+00 2.36 -4.416902192e+00 2.38 -4.367323329e+00 2.40 -4.316021259e+00 2.42 -4.263143214e+00 2.44 -4.208838047e+00 2.46 -4.153256440e+00 2.48 -4.096551110e+00 2.50 -4.038877001e+00 2.52 -3.980391459e+00 2.54 -3.921254407e+00 2.56 -3.861628503e+00 2.58 -3.801679288e+00 2.60 -3.741575338e+00 2.62 -3.681488389e+00 2.64 -3.621592818e+00 2.66 -3.562052312e+00 2.68 -3.502999018e+00 2.70 -3.444530314e+00 2.72 -3.386708910e+00 2.74 -3.329562939e+00 2.76 -3.273086059e+00 2.78 -3.217237516e+00 2.80 -3.161942546e+00 2.82 -3.107105254e+00 2.84 -3.052638135e+00 2.86 -2.998469465e+00 2.88 -2.943344916e+00 2.90 -2.889676046e+00 2.92 -2.836184035e+00 2.94 -2.782857325e+00 2.96 -2.729698103e+00 2.98 -2.676722281e+00 3.00 -2.623955754e+00 3.02 -2.571423746e+00 3.04 -2.519147584e+00 3.06 -2.467144773e+00 3.08 -2.415429152e+00 3.10 -2.364010985e+00 3.12 -2.312896960e+00 3.14 -2.262090484e+00 3.16 -2.211592167e+00 3.18 -2.161399388e+00 3.20 -2.111506568e+00 3.22 -2.061906501e+00 3.24 -2.012588520e+00 3.26 -1.963540787e+00 3.28 -1.914749408e+00 3.30 -1.866198490e+00 3.32 -1.817872038e+00 3.34 -1.769751410e+00 3.36 -1.721819344e+00 3.38 -1.674056386e+00 3.40 -1.626444215e+00 3.42 -1.578966092e+00 3.44 -1.531601713e+00 3.46 -1.484341393e+00 3.48 -1.437164246e+00 3.50 -1.390065132e+00 3.52 -1.343037232e+00 3.54 -1.296068078e+00 3.56 -1.249177310e+00 3.58 -1.202359354e+00 3.60 -1.155624558e+00 3.62 -1.109035196e+00 3.64 -1.062596106e+00 3.66 -1.016328480e+00 3.68 -9.703759642e-01 3.70 -9.247560643e-01 3.72 -8.786953780e-01 3.74 -8.330922946e-01 3.76 -7.889888795e-01 3.78 -7.471785074e-01 3.80 -7.089098844e-01 3.82 -6.720624511e-01 3.84 -6.338320652e-01 3.86 -5.925564377e-01 3.88 -5.474896727e-01 3.90 -4.985730327e-01 3.92 -4.460544623e-01 3.94 -3.923958411e-01 3.96 -3.399952170e-01 3.98 -2.904605327e-01 4.00 -2.447949714e-01 4.02 -2.035475489e-01 4.04 -1.669358065e-01 4.06 -1.349431930e-01 4.08 -1.073949262e-01 4.10 -8.401555055e-02 4.12 -6.447110221e-02 4.14 -4.839860226e-02 4.16 -3.542538716e-02 4.18 -2.518054325e-02 4.20 -1.730045636e-02 4.22 -1.143021835e-02 4.24 -7.222359249e-03 4.26 -4.335478838e-03 4.28 -2.451354951e-03 4.30 -1.297060571e-03 4.32 -6.454846418e-04 4.34 -3.137296201e-04 4.36 -1.622273377e-04 4.38 -9.432565833e-05 4.40 -5.611845807e-05 4.42 -3.108326660e-05 4.44 -1.557589394e-05 4.46 -6.803267353e-06 4.48 -2.458065862e-06 4.50 -7.187202872e-07 4.52 -2.494132266e-07 4.54 -2.000790612e-07 4.56 -2.000000000e-07 4.58 -2.000000000e-07 4.60 -2.000000000e-07 4.62 -2.000000000e-07 4.64 -2.000000000e-07 4.66 -2.000000000e-07 4.68 -2.000000000e-07 4.70 -2.000000000e-07 4.72 -2.000000000e-07 4.74 -2.000000000e-07 4.76 -2.000000000e-07 4.78 -2.000000000e-07 4.80 -2.000000000e-07 4.82 -2.000000000e-07 4.84 -2.000000000e-07 4.86 -2.000000000e-07 4.88 -2.000000000e-07 4.90 -2.000000000e-07 4.92 -2.000000000e-07 4.94 -2.000000000e-07 4.96 -2.000000000e-07 4.98 -2.000000000e-07 5.00 -2.000000000e-07 5.02 -2.000000000e-07 5.04 -2.000000000e-07 5.06 -2.000000000e-07 5.08 -2.000000000e-07 5.10 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