# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Shim-J-H-Ko-W-S-Kim-K-H-et-al--V-Ni # implementation = 2013--Shim-J-H--V-Ni--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 Ni Ni Ni V V V 0.02 1.192811354e+03 1.577933802e+03 1.510171673e+02 0.04 1.123164104e+03 1.484501935e+03 1.431919595e+02 0.06 1.057435221e+03 1.396519487e+03 1.357122021e+02 0.08 9.954101043e+02 1.313670564e+03 1.285658731e+02 0.10 9.368856465e+02 1.235657066e+03 1.217408531e+02 0.12 8.816696230e+02 1.162197780e+03 1.152250565e+02 0.14 8.295801247e+02 1.093027504e+03 1.090065299e+02 0.16 7.804450146e+02 1.027896214e+03 1.030735260e+02 0.18 7.341014131e+02 9.665682584e+02 9.741455764e+01 0.20 6.903952110e+02 9.088215970e+02 9.201843563e+01 0.22 6.491806072e+02 8.544470660e+02 8.687429549e+01 0.24 6.103196690e+02 8.032476768e+02 8.197161421e+01 0.26 5.736819179e+02 7.550379474e+02 7.730021991e+01 0.28 5.391439342e+02 7.096432613e+02 7.285029603e+01 0.30 5.065889833e+02 6.668992571e+02 6.861238124e+01 0.32 4.759066620e+02 6.266512475e+02 6.457736621e+01 0.34 4.469925618e+02 5.887536637e+02 6.073648807e+01 0.36 4.197479508e+02 5.530695294e+02 5.708132306e+01 0.38 3.940794720e+02 5.194699602e+02 5.360377810e+01 0.40 3.698988563e+02 4.878336879e+02 5.029608143e+01 0.42 3.471226525e+02 4.580466114e+02 4.715077277e+01 0.44 3.256719694e+02 4.300013704e+02 4.416069316e+01 0.46 3.054722322e+02 4.035969425e+02 4.131897467e+01 0.48 2.864529525e+02 3.787382637e+02 3.861903011e+01 0.50 2.685475082e+02 3.553358693e+02 3.605454279e+01 0.52 2.516929375e+02 3.333055565e+02 3.361945653e+01 0.54 2.358297418e+02 3.125680660e+02 3.130796578e+01 0.56 2.209016998e+02 2.930487832e+02 2.911450607e+01 0.58 2.068556909e+02 2.746774565e+02 2.703374468e+01 0.60 1.936415290e+02 2.573879340e+02 2.506057161e+01 0.62 1.812118035e+02 2.411179151e+02 2.319009087e+01 0.64 1.695217297e+02 2.258087180e+02 2.141761202e+01 0.66 1.585290070e+02 2.114050619e+02 1.973864204e+01 0.68 1.481936844e+02 1.978548621e+02 1.814887751e+01 0.70 1.384780332e+02 1.851090387e+02 1.664419699e+01 0.72 1.293464264e+02 1.731213368e+02 1.522065381e+01 0.74 1.207652243e+02 1.618481584e+02 1.387446902e+01 0.76 1.127026672e+02 1.512484043e+02 1.260202469e+01 0.78 1.051287719e+02 1.412833267e+02 1.139985737e+01 0.80 9.801523575e+01 1.319163903e+02 1.026465193e+01 0.82 9.133534456e+01 1.231131429e+02 9.193235522e+00 0.84 8.506388560e+01 1.148410932e+02 8.182571815e+00 0.86 7.917706566e+01 1.070695967e+02 7.229755476e+00 0.88 7.365243312e+01 9.976974878e+01 6.332006838e+00 0.90 6.846880428e+01 9.291428403e+01 5.486666779e+00 0.92 6.360619378e+01 8.647748190e+01 4.691191808e+00 0.94 5.904574855e+01 8.043507803e+01 3.943149334e+00 0.96 5.476968540e+01 7.476418106e+01 3.240213128e+00 0.98 5.076123207e+01 6.944319443e+01 2.580158955e+00 1.00 4.700457120e+01 6.445174269e+01 1.960860382e+00 1.02 4.348478763e+01 5.977060245e+01 1.380284749e+00 1.04 4.018781833e+01 5.538163725e+01 8.364892966e-01 1.06 3.710040502e+01 5.126773625e+01 3.276174508e-01 1.08 3.421004959e+01 4.741275662e+01 -1.481047516e-01 1.10 3.150497168e+01 4.380146919e+01 -5.923720910e-01 1.12 2.897406865e+01 4.041950719e+01 -1.006803459e+00 1.14 2.660687783e+01 3.725331813e+01 -1.392945024e+00 1.16 2.439354062e+01 3.429011822e+01 -1.752273266e+00 1.18 2.232476874e+01 3.151784949e+01 -2.086197892e+00 1.20 2.039181222e+01 2.892513936e+01 -2.396064637e+00 1.22 1.858642913e+01 2.650126241e+01 -2.683157949e+00 1.24 1.690085701e+01 2.423610440e+01 -2.948703568e+00 1.26 1.532778587e+01 2.212012823e+01 -3.193871000e+00 1.28 1.386033261e+01 2.014434179e+01 -3.419775886e+00 1.30 1.249201693e+01 1.830026770e+01 -3.627482287e+00 1.32 1.121673847e+01 1.657991466e+01 -3.818004858e+00 1.34 1.002875527e+01 1.497575031e+01 -3.992310948e+00 1.36 8.922663464e+00 1.348067582e+01 -4.151322603e+00 1.38 7.893377946e+00 1.208800162e+01 -4.295918490e+00 1.40 6.936114254e+00 1.079142462e+01 -4.426935741e+00 1.42 6.046371406e+00 9.585006715e+00 -4.545171717e+00 1.44 5.219915641e+00 8.463154322e+00 -4.651385693e+00 1.46 4.452765144e+00 7.420599198e+00 -4.746300485e+00 1.48 3.741175568e+00 6.452380236e+00 -4.830603989e+00 1.50 3.081626363e+00 5.553826252e+00 -4.904950662e+00 1.52 2.470807911e+00 4.720539783e+00 -4.969962939e+00 1.54 1.905609328e+00 3.948381715e+00 -5.026232581e+00 1.56 1.383106971e+00 3.233456782e+00 -5.074321964e+00 1.58 9.005536093e-01 2.572099893e+00 -5.114765309e+00 1.60 4.553681656e-01 1.960863165e+00 -5.148069851e+00 1.62 4.512605829e-02 1.396503707e+00 -5.174716958e+00 1.64 -3.324499034e-01 8.759720975e-01 -5.195163188e+00 1.66 -6.794981412e-01 3.964014534e-01 -5.209841297e+00 1.68 -9.980264044e-01 -4.490283491e-02 -5.219161191e+00 1.70 -1.289919422e+00 -4.504728190e-01 -5.223510834e+00 1.72 -1.556946127e+00 -8.226871699e-01 -5.223257100e+00 1.74 -1.800766434e+00 -1.163779803e+00 -5.218746579e+00 1.76 -2.022937664e+00 -1.475848042e+00 -5.210306334e+00 1.78 -2.224920574e+00 -1.760860309e+00 -5.198244616e+00 1.80 -2.408085045e+00 -2.020663351e+00 -5.182851529e+00 1.82 -2.573715456e+00 -2.256989080e+00 -5.164399653e+00 1.84 -2.723015744e+00 -2.471460990e+00 -5.143144626e+00 1.86 -2.857114175e+00 -2.665600199e+00 -5.119325684e+00 1.88 -2.977067876e+00 -2.840831148e+00 -5.093166158e+00 1.90 -3.083867090e+00 -2.998486934e+00 -5.064873939e+00 1.92 -3.178439218e+00 -3.139814342e+00 -5.034641907e+00 1.94 -3.261652649e+00 -3.265978569e+00 -5.002648325e+00 1.96 -3.334320363e+00 -3.378067651e+00 -4.969057210e+00 1.98 -3.397203358e+00 -3.477096641e+00 -4.934018672e+00 2.00 -3.451013876e+00 -3.564011535e+00 -4.897669243e+00 2.02 -3.496418444e+00 -3.639692977e+00 -4.860132188e+00 2.04 -3.534040739e+00 -3.704959780e+00 -4.821517812e+00 2.06 -3.564464279e+00 -3.760572271e+00 -4.781923770e+00 2.08 -3.588234936e+00 -3.807235502e+00 -4.741435391e+00 2.10 -3.605863293e+00 -3.845602362e+00 -4.700126026e+00 2.12 -3.617826839e+00 -3.876276601e+00 -4.658057430e+00 2.14 -3.624572014e+00 -3.899815815e+00 -4.615280199e+00 2.16 -3.626516112e+00 -3.916734408e+00 -4.571834264e+00 2.18 -3.624049053e+00 -3.927506554e+00 -4.527749469e+00 2.20 -3.617535035e+00 -3.932569171e+00 -4.483046237e+00 2.22 -3.607314070e+00 -3.932324935e+00 -4.437736345e+00 2.24 -3.593703427e+00 -3.927145296e+00 -4.391823809e+00 2.26 -3.576998975e+00 -3.917373533e+00 -4.345305894e+00 2.28 -3.557476452e+00 -3.903327777e+00 -4.298174244e+00 2.30 -3.535392655e+00 -3.885304011e+00 -4.250416142e+00 2.32 -3.510986574e+00 -3.863578979e+00 -4.202015867e+00 2.34 -3.484480453e+00 -3.838412947e+00 -4.152956150e+00 2.36 -3.456080804e+00 -3.810052286e+00 -4.103219689e+00 2.38 -3.425979376e+00 -3.778731788e+00 -4.052790696e+00 2.40 -3.394354066e+00 -3.744676669e+00 -4.001656419e+00 2.42 -3.361369793e+00 -3.708104220e+00 -3.949808614e+00 2.44 -3.327179329e+00 -3.669225070e+00 -3.897244876e+00 2.46 -3.291924086e+00 -3.628244034e+00 -3.843969823e+00 2.48 -3.255734867e+00 -3.585360573e+00 -3.789996034e+00 2.50 -3.218732572e+00 -3.540768887e+00 -3.735344738e+00 2.52 -3.181028875e+00 -3.494657684e+00 -3.680046185e+00 2.54 -3.142726854e+00 -3.447209700e+00 -3.624139710e+00 2.56 -3.103921590e+00 -3.398601046e+00 -3.567673460e+00 2.58 -3.064700727e+00 -3.349000459e+00 -3.510703809e+00 2.60 -3.025145004e+00 -3.298568544e+00 -3.453294491e+00 2.62 -2.985328742e+00 -3.247457073e+00 -3.395515480e+00 2.64 -2.945320305e+00 -3.195808406e+00 -3.337441697e+00 2.66 -2.905182537e+00 -3.143755079e+00 -3.279151577e+00 2.68 -2.864973151e+00 -3.091419575e+00 -3.220725599e+00 2.70 -2.824745112e+00 -3.038914299e+00 -3.162244811e+00 2.72 -2.784546971e+00 -2.986341737e+00 -3.103789448e+00 2.74 -2.744423194e+00 -2.933794785e+00 -3.045437664e+00 2.76 -2.704414454e+00 -2.881357218e+00 -2.987264448e+00 2.78 -2.664557908e+00 -2.829104258e+00 -2.929340738e+00 2.80 -2.624887451e+00 -2.777103200e+00 -2.871732753e+00 2.82 -2.585433947e+00 -2.725414079e+00 -2.814501540e+00 2.84 -2.546225457e+00 -2.674090329e+00 -2.757702738e+00 2.86 -2.507287430e+00 -2.623179410e+00 -2.701386521e+00 2.88 -2.468642899e+00 -2.572723407e+00 -2.645597709e+00 2.90 -2.430312649e+00 -2.522759565e+00 -2.590375994e+00 2.92 -2.392315380e+00 -2.473320776e+00 -2.535756267e+00 2.94 -2.354667857e+00 -2.424436004e+00 -2.481769004e+00 2.96 -2.317385049e+00 -2.376130665e+00 -2.428440671e+00 2.98 -2.280480256e+00 -2.328426961e+00 -2.375794139e+00 3.00 -2.243965232e+00 -2.281344169e+00 -2.323849079e+00 3.02 -2.207850297e+00 -2.234898908e+00 -2.272622327e+00 3.04 -2.172144438e+00 -2.189105368e+00 -2.222128209e+00 3.06 -2.136855411e+00 -2.143975523e+00 -2.172378821e+00 3.08 -2.101989829e+00 -2.099519322e+00 -2.123384274e+00 3.10 -2.067553249e+00 -2.055744863e+00 -2.075152896e+00 3.12 -2.033550250e+00 -2.012658553e+00 -2.027691406e+00 3.14 -1.999984509e+00 -1.970265253e+00 -1.981005051e+00 3.16 -1.966858869e+00 -1.928568411e+00 -1.935097735e+00 3.18 -1.934175403e+00 -1.887570188e+00 -1.889972123e+00 3.20 -1.901935479e+00 -1.847271568e+00 -1.845629732e+00 3.22 -1.870139813e+00 -1.807672461e+00 -1.802071014e+00 3.24 -1.838788523e+00 -1.768771799e+00 -1.759295435e+00 3.26 -1.807881180e+00 -1.730567623e+00 -1.717301541e+00 3.28 -1.777416854e+00 -1.693057161e+00 -1.676087028e+00 3.30 -1.747394157e+00 -1.656236904e+00 -1.635648799e+00 3.32 -1.717811281e+00 -1.620102669e+00 -1.595983026e+00 3.34 -1.688666043e+00 -1.584649667e+00 -1.557085201e+00 3.36 -1.659955911e+00 -1.549872553e+00 -1.518950191e+00 3.38 -1.631678045e+00 -1.515765484e+00 -1.481572287e+00 3.40 -1.603829321e+00 -1.482322163e+00 -1.444945245e+00 3.42 -1.576406364e+00 -1.449535886e+00 -1.409062338e+00 3.44 -1.549405571e+00 -1.417399583e+00 -1.373916392e+00 3.46 -1.522823139e+00 -1.385905854e+00 -1.339499826e+00 3.48 -1.496655083e+00 -1.355047008e+00 -1.305804691e+00 3.50 -1.470897262e+00 -1.324815091e+00 -1.272822701e+00 3.52 -1.445545393e+00 -1.295201919e+00 -1.240545270e+00 3.54 -1.420595075e+00 -1.266199106e+00 -1.208963542e+00 3.56 -1.396041800e+00 -1.237798089e+00 -1.178068419e+00 3.58 -1.371880972e+00 -1.209990155e+00 -1.147850587e+00 3.60 -1.348107916e+00 -1.182766459e+00 -1.118300548e+00 3.62 -1.324717899e+00 -1.156118049e+00 -1.089408638e+00 3.64 -1.301706133e+00 -1.130035885e+00 -1.061165052e+00 3.66 -1.279067792e+00 -1.104510856e+00 -1.033559868e+00 3.68 -1.256798020e+00 -1.079533798e+00 -1.006583063e+00 3.70 -1.234891938e+00 -1.055095510e+00 -9.802245357e-01 3.72 -1.213344655e+00 -1.031186767e+00 -9.544741218e-01 3.74 -1.192151275e+00 -1.007798338e+00 -9.293216114e-01 3.76 -1.171306900e+00 -9.849209952e-01 -9.047567648e-01 3.78 -1.150806645e+00 -9.625455259e-01 -8.807693266e-01 3.80 -1.130645633e+00 -9.406627463e-01 -8.573490395e-01 3.82 -1.110819007e+00 -9.192635098e-01 -8.344856567e-01 3.84 -1.091321933e+00 -8.983387173e-01 -8.121689538e-01 3.86 -1.072149604e+00 -8.778793255e-01 -7.903887397e-01 3.88 -1.053297242e+00 -8.578763558e-01 -7.691348665e-01 3.90 -1.034760103e+00 -8.383209009e-01 -7.483972393e-01 3.92 -1.016533481e+00 -8.192041327e-01 -7.281658243e-01 3.94 -9.986127088e-01 -8.005173076e-01 -7.084306576e-01 3.96 -9.809931593e-01 -7.822517729e-01 -6.891818518e-01 3.98 -9.636702505e-01 -7.643989718e-01 -6.704096031e-01 4.00 -9.466394453e-01 -7.469504480e-01 -6.521041976e-01 4.02 -9.298962534e-01 -7.298978500e-01 -6.342560170e-01 4.04 -9.134362330e-01 -7.132329349e-01 -6.168555435e-01 4.06 -8.972549914e-01 -6.969475716e-01 -5.998933648e-01 4.08 -8.813481865e-01 -6.810337438e-01 -5.833601782e-01 4.10 -8.657115271e-01 -6.654835526e-01 -5.672467944e-01 4.12 -8.503407739e-01 -6.502892183e-01 -5.515441410e-01 4.14 -8.352317400e-01 -6.354430829e-01 -5.362432658e-01 4.16 -8.203802911e-01 -6.209376109e-01 -5.213353388e-01 4.18 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