# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Shim-J-H-Ko-W-S-Kim-K-H-et-al--V-Al # implementation = 2013--Shim-J-H--V-Al--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 Al Al Al V V V 0.02 4.975659951e+02 3.107821434e+03 1.510171673e+02 0.04 4.734661677e+02 2.931996662e+03 1.431919595e+02 0.06 4.504710482e+02 2.765848649e+03 1.357122021e+02 0.08 4.285317592e+02 2.608855250e+03 1.285658731e+02 0.10 4.076015248e+02 2.460522230e+03 1.217408531e+02 0.12 3.876355823e+02 2.320381721e+03 1.152250565e+02 0.14 3.685910980e+02 2.187990792e+03 1.090065299e+02 0.16 3.504270862e+02 2.062930106e+03 1.030735260e+02 0.18 3.331043316e+02 1.944802660e+03 9.741455764e+01 0.20 3.165853147e+02 1.833232597e+03 9.201843563e+01 0.22 3.008341406e+02 1.727864082e+03 8.687429549e+01 0.24 2.858164704e+02 1.628360251e+03 8.197161421e+01 0.26 2.714994556e+02 1.534402205e+03 7.730021991e+01 0.28 2.578516748e+02 1.445688064e+03 7.285029603e+01 0.30 2.448430740e+02 1.361932075e+03 6.861238124e+01 0.32 2.324449081e+02 1.282863757e+03 6.457736621e+01 0.34 2.206296856e+02 1.208227102e+03 6.073648807e+01 0.36 2.093711156e+02 1.137779809e+03 5.708132306e+01 0.38 1.986440565e+02 1.071292567e+03 5.360377810e+01 0.40 1.884244672e+02 1.008548363e+03 5.029608143e+01 0.42 1.786893602e+02 9.493418391e+02 4.715077277e+01 0.44 1.694167570e+02 8.934786759e+02 4.416069316e+01 0.46 1.605856445e+02 8.407750074e+02 4.131897467e+01 0.48 1.521759341e+02 7.910568710e+02 3.861903011e+01 0.50 1.441684221e+02 7.441596815e+02 3.605454279e+01 0.52 1.365447517e+02 6.999277356e+02 3.361945653e+01 0.54 1.292873767e+02 6.582137410e+02 3.130796578e+01 0.56 1.223795268e+02 6.188783697e+02 2.911450607e+01 0.58 1.158051742e+02 5.817898358e+02 2.703374468e+01 0.60 1.095490017e+02 5.468234943e+02 2.506057161e+01 0.62 1.035963717e+02 5.138614612e+02 2.319009087e+01 0.64 9.793329764e+01 4.827922541e+02 2.141761202e+01 0.66 9.254641511e+01 4.535104507e+02 1.973864204e+01 0.68 8.742295541e+01 4.259163651e+02 1.814887751e+01 0.70 8.255071965e+01 3.999157427e+02 1.664419699e+01 0.72 7.791805401e+01 3.754194690e+02 1.522065381e+01 0.74 7.351382612e+01 3.523432951e+02 1.387446902e+01 0.76 6.932740242e+01 3.306075773e+02 1.260202469e+01 0.78 6.534862644e+01 3.101370298e+02 1.139985737e+01 0.80 6.156779801e+01 2.908604916e+02 1.026465193e+01 0.82 5.797565340e+01 2.727107047e+02 9.193235522e+00 0.84 5.456334624e+01 2.556241042e+02 8.182571815e+00 0.86 5.132242927e+01 2.395406199e+02 7.229755476e+00 0.88 4.824483692e+01 2.244034879e+02 6.332006838e+00 0.90 4.532286851e+01 2.101590724e+02 5.486666779e+00 0.92 4.254917229e+01 1.967566971e+02 4.691191808e+00 0.94 3.991673010e+01 1.841484851e+02 3.943149334e+00 0.96 3.741884268e+01 1.722892074e+02 3.240213128e+00 0.98 3.504911564e+01 1.611361402e+02 2.580158955e+00 1.00 3.280144599e+01 1.506489282e+02 1.960860382e+00 1.02 3.067000929e+01 1.407894569e+02 1.380284749e+00 1.04 2.864924733e+01 1.315217308e+02 8.364892966e-01 1.06 2.673385628e+01 1.228117577e+02 3.276174508e-01 1.08 2.491877551e+01 1.146274403e+02 -1.481047516e-01 1.10 2.319917670e+01 1.069384727e+02 -5.923720910e-01 1.12 2.157045353e+01 9.971624240e+01 -1.006803459e+00 1.14 2.002821184e+01 9.293373850e+01 -1.392945024e+00 1.16 1.856826013e+01 8.656546357e+01 -1.752273266e+00 1.18 1.718660052e+01 8.058735103e+01 -2.086197892e+00 1.20 1.587942013e+01 7.497668685e+01 -2.396064637e+00 1.22 1.464308278e+01 6.971203518e+01 -2.683157949e+00 1.24 1.347412112e+01 6.477316829e+01 -2.948703568e+00 1.26 1.236922907e+01 6.014100011e+01 -3.193871000e+00 1.28 1.132525456e+01 5.579752332e+01 -3.419775886e+00 1.30 1.033919268e+01 5.172575005e+01 -3.627482287e+00 1.32 9.408179063e+00 4.790965550e+01 -3.818004858e+00 1.34 8.529483548e+00 4.433412476e+01 -3.992310948e+00 1.36 7.700504203e+00 4.098490260e+01 -4.151322603e+00 1.38 6.918761522e+00 3.784854570e+01 -4.295918490e+00 1.40 6.181892917e+00 3.491237776e+01 -4.426935741e+00 1.42 5.487647452e+00 3.216444692e+01 -4.545171717e+00 1.44 4.833880779e+00 2.959348542e+01 -4.651385693e+00 1.46 4.218550315e+00 2.718887164e+01 -4.746300485e+00 1.48 3.639710615e+00 2.494059406e+01 -4.830603989e+00 1.50 3.095508934e+00 2.283921723e+01 -4.904950662e+00 1.52 2.584181000e+00 2.087584964e+01 -4.969962939e+00 1.54 2.104046941e+00 1.904211332e+01 -5.026232581e+00 1.56 1.653507402e+00 1.733011504e+01 -5.074321964e+00 1.58 1.231039825e+00 1.573241929e+01 -5.114765309e+00 1.60 8.351948862e-01 1.424202250e+01 -5.148069851e+00 1.62 4.645930838e-01 1.285232883e+01 -5.174716958e+00 1.64 1.179214904e-01 1.155712735e+01 -5.195163188e+00 1.66 -2.060693729e-01 1.035057030e+01 -5.209841297e+00 1.68 -5.085685047e-01 9.227152700e+00 -5.219161191e+00 1.70 -7.907072657e-01 8.181693117e+00 -5.223510834e+00 1.72 -1.053562096e+00 7.209315361e+00 -5.223257100e+00 1.74 -1.298157095e+00 6.305431367e+00 -5.218746579e+00 1.76 -1.525466492e+00 5.465724939e+00 -5.210306334e+00 1.78 -1.736416999e+00 4.686136439e+00 -5.198244616e+00 1.80 -1.931890048e+00 3.962848377e+00 -5.182851529e+00 1.82 -2.112723926e+00 3.292271763e+00 -5.164399653e+00 1.84 -2.279715808e+00 2.671033285e+00 -5.143144626e+00 1.86 -2.433623687e+00 2.095963213e+00 -5.119325684e+00 1.88 -2.575168225e+00 1.564083979e+00 -5.093166158e+00 1.90 -2.705034498e+00 1.072599451e+00 -5.064873939e+00 1.92 -2.823873672e+00 6.188848135e-01 -5.034641907e+00 1.94 -2.932304590e+00 2.004770235e-01 -5.002648325e+00 1.96 -3.030915288e+00 -1.849341412e-01 -4.969057210e+00 1.98 -3.120264441e+00 -5.395145482e-01 -4.934018672e+00 2.00 -3.200882735e+00 -8.652936795e-01 -4.897669243e+00 2.02 -3.273274180e+00 -1.164172128e+00 -4.860132188e+00 2.04 -3.337917361e+00 -1.437928709e+00 -4.821517812e+00 2.06 -3.395266632e+00 -1.688227171e+00 -4.781923770e+00 2.08 -3.445753256e+00 -1.916622560e+00 -4.741435391e+00 2.10 -3.489786487e+00 -2.124567305e+00 -4.700126026e+00 2.12 -3.527754616e+00 -2.313417021e+00 -4.658057430e+00 2.14 -3.560025955e+00 -2.484436105e+00 -4.615280199e+00 2.16 -3.586949789e+00 -2.638803170e+00 -4.571834264e+00 2.18 -3.608857281e+00 -2.777616328e+00 -4.527749469e+00 2.20 -3.626062332e+00 -2.901898395e+00 -4.483046237e+00 2.22 -3.638862415e+00 -3.012602034e+00 -4.437736345e+00 2.24 -3.647539358e+00 -3.110614837e+00 -4.391823809e+00 2.26 -3.652360103e+00 -3.196764387e+00 -4.345305894e+00 2.28 -3.653577425e+00 -3.271823254e+00 -4.298174244e+00 2.30 -3.651430623e+00 -3.336513906e+00 -4.250416142e+00 2.32 -3.646146177e+00 -3.391513489e+00 -4.202015867e+00 2.34 -3.637938375e+00 -3.437458390e+00 -4.152956150e+00 2.36 -3.627009920e+00 -3.474948519e+00 -4.103219689e+00 2.38 -3.613552494e+00 -3.504551221e+00 -4.052790696e+00 2.40 -3.597747314e+00 -3.526804725e+00 -4.001656419e+00 2.42 -3.579765648e+00 -3.542221094e+00 -3.949808614e+00 2.44 -3.559769318e+00 -3.551288605e+00 -3.897244876e+00 2.46 -3.537911170e+00 -3.554473565e+00 -3.843969823e+00 2.48 -3.514335532e+00 -3.552221588e+00 -3.789996034e+00 2.50 -3.489178643e+00 -3.544958384e+00 -3.735344738e+00 2.52 -3.462569063e+00 -3.533090140e+00 -3.680046185e+00 2.54 -3.434628069e+00 -3.517003610e+00 -3.624139710e+00 2.56 -3.405470026e+00 -3.497066013e+00 -3.567673460e+00 2.58 -3.375202742e+00 -3.473624863e+00 -3.510703809e+00 2.60 -3.343927806e+00 -3.447007822e+00 -3.453294491e+00 2.62 -3.311740911e+00 -3.417522663e+00 -3.395515480e+00 2.64 -3.278732161e+00 -3.385457408e+00 -3.337441697e+00 2.66 -3.244986358e+00 -3.351080651e+00 -3.279151577e+00 2.68 -3.210583283e+00 -3.314642093e+00 -3.220725599e+00 2.70 -3.175597959e+00 -3.276373269e+00 -3.162244811e+00 2.72 -3.140100899e+00 -3.236488422e+00 -3.103789448e+00 2.74 -3.104158342e+00 -3.195185501e+00 -3.045437664e+00 2.76 -3.067832486e+00 -3.152647215e+00 -2.987264448e+00 2.78 -3.031181694e+00 -3.109042123e+00 -2.929340738e+00 2.80 -2.994260704e+00 -3.064525692e+00 -2.871732753e+00 2.82 -2.957120820e+00 -3.019241318e+00 -2.814501540e+00 2.84 -2.919810094e+00 -2.973321270e+00 -2.757702738e+00 2.86 -2.882373503e+00 -2.926887556e+00 -2.701386521e+00 2.88 -2.844853116e+00 -2.880052710e+00 -2.645597709e+00 2.90 -2.807288246e+00 -2.832920486e+00 -2.590375994e+00 2.92 -2.769715602e+00 -2.785586490e+00 -2.535756267e+00 2.94 -2.732169432e+00 -2.738138747e+00 -2.481769004e+00 2.96 -2.694681656e+00 -2.690658206e+00 -2.428440671e+00 2.98 -2.657281993e+00 -2.643219213e+00 -2.375794139e+00 3.00 -2.619998079e+00 -2.595889930e+00 -2.323849079e+00 3.02 -2.582855589e+00 -2.548732739e+00 -2.272622327e+00 3.04 -2.545878339e+00 -2.501804611e+00 -2.222128209e+00 3.06 -2.509088392e+00 -2.455157448e+00 -2.172378821e+00 3.08 -2.472506156e+00 -2.408838416e+00 -2.123384274e+00 3.10 -2.436150476e+00 -2.362890245e+00 -2.075152896e+00 3.12 -2.400038722e+00 -2.317351523e+00 -2.027691406e+00 3.14 -2.364186873e+00 -2.272256969e+00 -1.981005051e+00 3.16 -2.328609594e+00 -2.227637689e+00 -1.935097735e+00 3.18 -2.293320316e+00 -2.183521419e+00 -1.889972123e+00 3.20 -2.258331301e+00 -2.139932758e+00 -1.845629732e+00 3.22 -2.223653713e+00 -2.096893384e+00 -1.802071014e+00 3.24 -2.189297682e+00 -2.054422259e+00 -1.759295435e+00 3.26 -2.155272363e+00 -2.012535819e+00 -1.717301541e+00 3.28 -2.121585992e+00 -1.971248163e+00 -1.676087028e+00 3.30 -2.088245946e+00 -1.930571220e+00 -1.635648799e+00 3.32 -2.055258788e+00 -1.890514912e+00 -1.595983026e+00 3.34 -2.022630320e+00 -1.851087306e+00 -1.557085201e+00 3.36 -1.990365626e+00 -1.812294760e+00 -1.518950191e+00 3.38 -1.958469120e+00 -1.774142054e+00 -1.481572287e+00 3.40 -1.926944584e+00 -1.736632521e+00 -1.444945245e+00 3.42 -1.895795207e+00 -1.699768161e+00 -1.409062338e+00 3.44 -1.865023624e+00 -1.663549755e+00 -1.373916392e+00 3.46 -1.834631952e+00 -1.627976970e+00 -1.339499826e+00 3.48 -1.804621819e+00 -1.593048454e+00 -1.305804691e+00 3.50 -1.774994401e+00 -1.558761930e+00 -1.272822701e+00 3.52 -1.745750448e+00 -1.525114279e+00 -1.240545270e+00 3.54 -1.716890312e+00 -1.492101620e+00 -1.208963542e+00 3.56 -1.688413975e+00 -1.459719385e+00 -1.178068419e+00 3.58 -1.660321076e+00 -1.427962385e+00 -1.147850587e+00 3.60 -1.632610931e+00 -1.396824878e+00 -1.118300548e+00 3.62 -1.605282558e+00 -1.366300626e+00 -1.089408638e+00 3.64 -1.578334696e+00 -1.336382949e+00 -1.061165052e+00 3.66 -1.551765829e+00 -1.307064781e+00 -1.033559868e+00 3.68 -1.525574200e+00 -1.278338710e+00 -1.006583063e+00 3.70 -1.499757833e+00 -1.250197028e+00 -9.802245357e-01 3.72 -1.474314548e+00 -1.222631769e+00 -9.544741218e-01 3.74 -1.449241977e+00 -1.195634746e+00 -9.293216114e-01 3.76 -1.424537579e+00 -1.169197583e+00 -9.047567648e-01 3.78 -1.400198655e+00 -1.143311752e+00 -8.807693266e-01 3.80 -1.376222359e+00 -1.117968598e+00 -8.573490395e-01 3.82 -1.352605714e+00 -1.093159364e+00 -8.344856567e-01 3.84 -1.329345622e+00 -1.068875220e+00 -8.121689538e-01 3.86 -1.306438873e+00 -1.045107282e+00 -7.903887397e-01 3.88 -1.283882161e+00 -1.021846631e+00 -7.691348665e-01 3.90 -1.261672089e+00 -9.990843361e-01 -7.483972393e-01 3.92 -1.239805179e+00 -9.768114660e-01 -7.281658243e-01 3.94 -1.218277882e+00 -9.550191072e-01 -7.084306576e-01 3.96 -1.197086586e+00 -9.336983771e-01 -6.891818518e-01 3.98 -1.176227624e+00 -9.128404358e-01 -6.704096031e-01 4.00 -1.155697279e+00 -8.924364979e-01 -6.521041976e-01 4.02 -1.135491793e+00 -8.724778420e-01 -6.342560170e-01 4.04 -1.115607374e+00 -8.529558202e-01 -6.168555435e-01 4.06 -1.096040198e+00 -8.338618651e-01 -5.998933648e-01 4.08 -1.076786419e+00 -8.151874979e-01 -5.833601782e-01 4.10 -1.057842172e+00 -7.969243338e-01 -5.672467944e-01 4.12 -1.039203577e+00 -7.790640880e-01 -5.515441410e-01 4.14 -1.020866746e+00 -7.615985802e-01 -5.362432658e-01 4.16 -1.002827784e+00 -7.445197386e-01 -5.213353388e-01 4.18 -9.850827973e-01 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