# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Elliott-R-S-Akerson-A--Nd # implementation = LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 # 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 2024-11-27 r Nd Nd 0.02 3.564126792e+27 0.04 8.701481426e+23 0.06 6.706533354e+21 0.08 2.124385114e+20 0.10 1.459866333e+19 0.12 1.637337242e+18 0.14 2.574996623e+17 0.16 5.186487053e+16 0.18 1.261952549e+16 0.20 3.564126684e+15 0.22 1.135640573e+15 0.24 3.997405020e+14 0.26 1.529793651e+14 0.28 6.286611435e+13 0.30 2.746995113e+13 0.32 1.266231556e+13 0.34 6.117384396e+12 0.36 3.080935712e+12 0.38 1.610309349e+12 0.40 8.701464536e+11 0.42 4.845297848e+11 0.44 2.772550608e+11 0.46 1.626361794e+11 0.48 9.759233920e+10 0.50 5.979568228e+10 0.52 3.734813336e+10 0.54 2.374558495e+10 0.56 1.534795164e+10 0.58 1.007324358e+10 0.60 6.706385074e+09 0.62 4.524818146e+09 0.64 3.091286537e+09 0.66 2.136824507e+09 0.68 1.493433169e+09 0.70 1.054659817e+09 0.72 7.521326876e+08 0.74 5.413755781e+08 0.76 3.931065908e+08 0.78 2.878269867e+08 0.80 2.124121208e+08 0.82 1.579371488e+08 0.84 1.182740191e+08 0.86 8.917608617e+07 0.88 6.767455980e+07 0.90 5.167655955e+07 0.92 3.969486738e+07 0.94 3.066456774e+07 0.96 2.381755463e+07 0.98 1.859592707e+07 1.00 1.459174521e+07 1.02 1.150480331e+07 1.04 9.112814551e+06 1.06 7.250211420e+06 1.08 5.792970475e+06 1.10 4.647678933e+06 1.12 3.743608330e+06 1.14 3.026933653e+06 1.16 2.456492858e+06 1.18 2.000658959e+06 1.20 1.635020377e+06 1.22 1.340651773e+06 1.24 1.102818579e+06 1.26 9.100017619e+05 1.28 7.531602050e+05 1.30 6.251702997e+05 1.32 5.203982941e+05 1.34 4.343725683e+05 1.36 3.635314512e+05 1.38 3.050283929e+05 1.40 2.565808647e+05 1.42 2.163527325e+05 1.44 1.828623544e+05 1.46 1.549105219e+05 1.48 1.315237667e+05 1.50 1.119096063e+05 1.52 9.542110040e+04 1.54 8.152869082e+04 1.56 6.979776121e+04 1.58 5.987069956e+04 1.60 5.145251894e+04 1.62 4.429929767e+04 1.64 3.820886029e+04 1.66 3.301324480e+04 1.68 2.857259762e+04 1.70 2.477021301e+04 1.72 2.150849229e+04 1.74 1.870564431e+04 1.76 1.629298463e+04 1.78 1.421271978e+04 1.80 1.241612515e+04 1.82 1.086204347e+04 1.84 9.515644529e+03 1.86 8.347398720e+03 1.88 7.332225648e+03 1.90 6.448786558e+03 1.92 5.678895108e+03 1.94 5.007025742e+03 1.96 4.419902703e+03 1.98 3.906155837e+03 2.00 3.456031780e+03 2.02 3.061151216e+03 2.04 2.714304465e+03 2.06 2.409279082e+03 2.08 2.140714189e+03 2.10 1.903977202e+03 2.12 1.695059342e+03 2.14 1.510486916e+03 2.16 1.347245889e+03 2.18 1.202717639e+03 2.20 1.074624167e+03 2.22 9.609813026e+02 2.24 8.600586734e+02 2.26 7.703454148e+02 2.28 6.905207603e+02 2.30 6.194287793e+02 2.32 5.560566487e+02 2.34 4.995159410e+02 2.36 4.490264884e+02 2.38 4.039024504e+02 2.40 3.635402697e+02 2.42 3.274082471e+02 2.44 2.950375076e+02 2.46 2.660141618e+02 2.48 2.399724977e+02 2.50 2.165890598e+02 2.52 1.955774946e+02 2.54 1.766840577e+02 2.56 1.596836946e+02 2.58 1.443766164e+02 2.60 1.305853069e+02 2.62 1.181519023e+02 2.64 1.069358952e+02 2.66 9.681212222e+01 2.68 8.766899571e+01 2.70 7.940695116e+01 2.72 7.193708092e+01 2.74 6.517993155e+01 2.76 5.906444399e+01 2.78 5.352701877e+01 2.80 4.851069074e+01 2.82 4.396439995e+01 2.84 3.984234677e+01 2.86 3.610342117e+01 2.88 3.271069707e+01 2.90 2.963098413e+01 2.92 2.683442999e+01 2.94 2.429416704e+01 2.96 2.198599854e+01 2.98 1.988811945e+01 3.00 1.798086784e+01 3.02 1.624650364e+01 3.04 1.466901119e+01 3.06 1.323392330e+01 3.08 1.192816401e+01 3.10 1.073990825e+01 3.12 9.658456284e+00 3.14 8.674121437e+00 3.16 7.778129555e+00 3.18 6.962528960e+00 3.20 6.220109715e+00 3.22 5.544331216e+00 3.24 4.929257188e+00 3.26 4.369497314e+00 3.28 3.860154765e+00 3.30 3.396779022e+00 3.32 2.975323425e+00 3.34 2.592106948e+00 3.36 2.243779767e+00 3.38 1.927292222e+00 3.40 1.639866820e+00 3.42 1.378972981e+00 3.44 1.142304218e+00 3.46 9.277575399e-01 3.48 7.334148208e-01 3.50 5.575259568e-01 3.52 3.984936238e-01 3.54 2.548594799e-01 3.56 1.252916668e-01 3.58 8.573484037e-03 3.60 -9.640687945e-02 3.62 -1.906656600e-01 3.64 -2.751319726e-01 3.66 -3.506554853e-01 3.68 -4.180133913e-01 3.70 -4.779167448e-01 3.72 -5.310162202e-01 3.74 -5.779073523e-01 3.76 -6.191353034e-01 3.78 -6.551992032e-01 3.80 -6.865561016e-01 3.82 -7.136245698e-01 3.84 -7.367879825e-01 3.86 -7.563975105e-01 3.88 -7.727748511e-01 3.90 -7.862147188e-01 3.92 -7.969871191e-01 3.94 -8.053394257e-01 3.96 -8.114982765e-01 3.98 -8.156713079e-01 4.00 -8.180487389e-01 4.02 -8.188048200e-01 4.04 -8.180991591e-01 4.06 -8.160779341e-01 4.08 -8.128750030e-01 4.10 -8.086129204e-01 4.12 -8.034038686e-01 4.14 -7.973505099e-01 4.16 -7.905467690e-01 4.18 -7.830785487e-01 4.20 -7.750243870e-01 4.22 -7.664560596e-01 4.24 -7.574391326e-01 4.26 -7.480334694e-01 4.28 -7.382936963e-01 4.30 -7.282696298e-01 4.32 -7.180066686e-01 4.34 -7.075461543e-01 4.36 -6.969257023e-01 4.38 -6.861795057e-01 4.40 -6.753386149e-01 4.42 -6.644311946e-01 4.44 -6.534827594e-01 4.46 -6.425163914e-01 4.48 -6.315529395e-01 4.50 -6.206112034e-01 4.52 -6.097081017e-01 4.54 -5.988588278e-01 4.56 -5.880769928e-01 4.58 -5.773747567e-01 4.60 -5.667629495e-01 4.62 -5.562511825e-01 4.64 -5.458479509e-01 4.66 -5.355607277e-01 4.68 -5.253960510e-01 4.70 -5.153596036e-01 4.72 -5.054562862e-01 4.74 -4.956902856e-01 4.76 -4.860651368e-01 4.78 -4.765837800e-01 4.80 -4.672486137e-01 4.82 -4.580615430e-01 4.84 -4.490240243e-01 4.86 -4.401371065e-01 4.88 -4.314014686e-01 4.90 -4.228174546e-01 4.92 -4.143851052e-01 4.94 -4.061041874e-01 4.96 -3.979742217e-01 4.98 -3.899945064e-01 5.00 -3.821641406e-01 5.02 -3.744820456e-01 5.04 -3.669469832e-01 5.06 -3.595575743e-01 5.08 -3.523123143e-01 5.10 -3.452095884e-01 5.12 -3.382476851e-01 5.14 -3.314248085e-01 5.16 -3.247390898e-01 5.18 -3.181885978e-01 5.20 -3.117713484e-01 5.22 -3.054853130e-01 5.24 -2.993284271e-01 5.26 -2.932985966e-01 5.28 -2.873937055e-01 5.30 -2.816116209e-01 5.32 -2.759501990e-01 5.34 -2.704072900e-01 5.36 -2.649807423e-01 5.38 -2.596684069e-01 5.40 -2.544681409e-01 5.42 -2.493778106e-01 5.44 -2.443952948e-01 5.46 -2.395184873e-01 5.48 -2.347452990e-01 5.50 -2.300736606e-01 5.52 -2.255015239e-01 5.54 -2.210268638e-01 5.56 -2.166476795e-01 5.58 -2.123619960e-01 5.60 -2.081678651e-01 5.62 -2.040633662e-01 5.64 -2.000466073e-01 5.66 -1.961157258e-01 5.68 -1.922688886e-01 5.70 -1.885042929e-01 5.72 -1.848201664e-01 5.74 -1.812147678e-01 5.76 -1.776863866e-01 5.78 -1.742333435e-01 5.80 -1.708539903e-01 5.82 -1.675467099e-01 5.84 -1.643099162e-01 5.86 -1.611420541e-01 5.88 -1.580415992e-01 5.90 -1.550070575e-01 5.92 -1.520369655e-01 5.94 -1.491298894e-01 5.96 -1.462844254e-01 5.98 -1.434991988e-01 6.00 -1.407728641e-01 6.02 -1.381041041e-01 6.04 -1.354916303e-01 6.06 -1.329341816e-01 6.08 -1.304305245e-01 6.10 -1.279794525e-01 6.12 -1.255797855e-01 6.14 -1.232303698e-01 6.16 -1.209300770e-01 6.18 -1.186778041e-01 6.20 -1.164724728e-01 6.22 -1.143130292e-01 6.24 -1.121984430e-01 6.26 -1.101277074e-01 6.28 -1.080998385e-01 6.30 -1.061138750e-01 6.32 -1.041688773e-01 6.34 -1.022639277e-01 6.36 -1.003981294e-01 6.38 -9.857060635e-02 6.40 -9.678050267e-02 6.42 -9.502698235e-02 6.44 -9.330922873e-02 6.46 -9.162644411e-02 6.48 -8.997784931e-02 6.50 -8.836268331e-02 6.52 -8.678020279e-02 6.54 -8.522968177e-02 6.56 -8.371041120e-02 6.58 -8.222169858e-02 6.60 -8.076286761e-02 6.62 -7.933325776e-02 6.64 -7.793222396e-02 6.66 -7.655913623e-02 6.68 -7.521337931e-02 6.70 -7.389435233e-02 6.72 -7.260146849e-02 6.74 -7.133415468e-02 6.76 -7.009185124e-02 6.78 -6.887401155e-02 6.80 -6.768010177e-02 6.82 -6.650960056e-02 6.84 -6.536199873e-02 6.86 -6.423679897e-02 6.88 -6.313351558e-02 6.90 -6.205167419e-02 6.92 -6.099081147e-02 6.94 -5.995047488e-02 6.96 -5.893022239e-02 6.98 -5.792962228e-02 7.00 -5.694825283e-02 7.02 -5.598570209e-02 7.04 -5.504156770e-02 7.06 -5.411545658e-02 7.08 -5.320698477e-02 7.10 -5.231577716e-02 7.12 -5.144146731e-02 7.14 -5.058369723e-02 7.16 -4.974211717e-02 7.18 -4.891638541e-02 7.20 -4.810616812e-02 7.22 -4.731113908e-02 7.24 -4.653097958e-02 7.26 -4.576537820e-02 7.28 -4.501403061e-02 7.30 -4.427663945e-02 7.32 -4.355291414e-02 7.34 -4.284257069e-02 7.36 -4.214533158e-02 7.38 -4.146092558e-02 7.40 -4.078908761e-02 7.42 -4.012955858e-02 7.44 -3.948208527e-02 7.46 -3.884642014e-02 7.48 -3.822232125e-02 7.50 -3.760955208e-02 7.52 -3.700788145e-02 7.54 -3.641708332e-02 7.56 -3.583693673e-02 7.58 -3.526722566e-02 7.60 -3.470773889e-02 7.62 -3.415826992e-02 7.64 -3.361861682e-02 7.66 -3.308858216e-02 7.68 -3.256797287e-02 7.70 -3.205660014e-02 7.72 -3.155427935e-02 7.74 -3.106082994e-02 7.76 -3.057607531e-02 7.78 -3.009984275e-02 7.80 -2.963196332e-02 7.82 -2.917227180e-02 7.84 -2.872060655e-02 7.86 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