# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Shim-J-H-Park-S-I-Cho-Y-W-Lee-B-J--Ni-W # implementation = 2003--Shim-J-H--Ni-W--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 W W W 0.02 1.192811354e+03 9.831942197e+03 4.939180714e+02 0.04 1.123164104e+03 9.183219024e+03 4.741846553e+02 0.06 1.057435221e+03 8.576148456e+03 4.544708590e+02 0.08 9.954101045e+02 8.008114543e+03 4.349774215e+02 0.10 9.368856465e+02 7.476662945e+03 4.158481599e+02 0.12 8.816696230e+02 6.979490946e+03 3.971839374e+02 0.14 8.295801248e+02 6.514438135e+03 3.790533174e+02 0.16 7.804450146e+02 6.079477684e+03 3.615006762e+02 0.18 7.341014131e+02 5.672708183e+03 3.445523697e+02 0.20 6.903952110e+02 5.292345978e+03 3.282214106e+02 0.22 6.491806071e+02 4.936717991e+03 3.125110095e+02 0.24 6.103196690e+02 4.604254971e+03 2.974172473e+02 0.26 5.736819179e+02 4.293485157e+03 2.829310883e+02 0.28 5.391439342e+02 4.003028331e+03 2.690398906e+02 0.30 5.065889833e+02 3.731590222e+03 2.557285360e+02 0.32 4.759066620e+02 3.477957252e+03 2.429802708e+02 0.34 4.469925618e+02 3.240991603e+03 2.307773296e+02 0.36 4.197479509e+02 3.019626572e+03 2.191013941e+02 0.38 3.940794720e+02 2.812862216e+03 2.079339287e+02 0.40 3.698988563e+02 2.619761250e+03 1.972564232e+02 0.42 3.471226526e+02 2.439445202e+03 1.870505670e+02 0.44 3.256719694e+02 2.271090791e+03 1.772983714e+02 0.46 3.054722323e+02 2.113926535e+03 1.679822533e+02 0.48 2.864529525e+02 1.967229552e+03 1.590850915e+02 0.50 2.685475082e+02 1.830322561e+03 1.505902622e+02 0.52 2.516929376e+02 1.702571069e+03 1.424816584e+02 0.54 2.358297419e+02 1.583380718e+03 1.347437002e+02 0.56 2.209016998e+02 1.472194803e+03 1.273613355e+02 0.58 2.068556909e+02 1.368491934e+03 1.203200365e+02 0.60 1.936415290e+02 1.271783847e+03 1.136057916e+02 0.62 1.812118035e+02 1.181613339e+03 1.072050948e+02 0.64 1.695217297e+02 1.097552340e+03 1.011049337e+02 0.66 1.585290070e+02 1.019200093e+03 9.529277620e+01 0.68 1.481936844e+02 9.461814537e+02 8.975655654e+01 0.70 1.384780332e+02 8.781452850e+02 8.448466108e+01 0.72 1.293464264e+02 8.147629586e+02 7.946591413e+01 0.74 1.207652243e+02 7.557269432e+02 7.468956375e+01 0.76 1.127026672e+02 7.007494812e+02 7.014526781e+01 0.78 1.051287719e+02 6.495613467e+02 6.582308032e+01 0.80 9.801523576e+01 6.019106794e+02 6.171343811e+01 0.82 9.133534455e+01 5.575618910e+02 5.780714774e+01 0.84 8.506388560e+01 5.162946385e+02 5.409537290e+01 0.86 7.917706567e+01 4.779028614e+02 5.056962209e+01 0.88 7.365243312e+01 4.421938781e+02 4.722173669e+01 0.90 6.846880429e+01 4.089875382e+02 4.404387938e+01 0.92 6.360619379e+01 3.781154277e+02 4.102852287e+01 0.94 5.904574855e+01 3.494201228e+02 3.816843908e+01 0.96 5.476968541e+01 3.227544908e+02 3.545668850e+01 0.98 5.076123207e+01 2.979810334e+02 3.288661002e+01 1.00 4.700457121e+01 2.749712714e+02 3.045181096e+01 1.02 4.348478765e+01 2.536051668e+02 2.814615748e+01 1.04 4.018781833e+01 2.337705811e+02 2.596376528e+01 1.06 3.710040502e+01 2.153627670e+02 2.389899053e+01 1.08 3.421004960e+01 1.982838905e+02 2.194642118e+01 1.10 3.150497168e+01 1.824425842e+02 2.010086848e+01 1.12 2.897406866e+01 1.677535263e+02 1.835735874e+01 1.14 2.660687783e+01 1.541370480e+02 1.671112548e+01 1.16 2.439354062e+01 1.415187645e+02 1.515760169e+01 1.18 2.232476875e+01 1.298292305e+02 1.369241241e+01 1.20 2.039181222e+01 1.190036194e+02 1.231136757e+01 1.22 1.858642913e+01 1.089814240e+02 1.101045503e+01 1.24 1.690085701e+01 9.970618057e+01 9.785833831e+00 1.26 1.532778587e+01 9.112521318e+01 8.633827766e+00 1.28 1.386033261e+01 8.318940022e+01 7.550919050e+00 1.30 1.249201693e+01 7.585296098e+01 6.533742287e+00 1.32 1.121673847e+01 6.907326173e+01 5.579078613e+00 1.34 1.002875528e+01 6.281063947e+01 4.683850045e+00 1.36 8.922663465e+00 5.702824038e+01 3.845114031e+00 1.38 7.893377945e+00 5.169186883e+01 3.060058187e+00 1.40 6.936114257e+00 4.676984166e+01 2.325995227e+00 1.42 6.046371406e+00 4.223284153e+01 1.640358067e+00 1.44 5.219915642e+00 3.805376325e+01 1.000695110e+00 1.46 4.452765147e+00 3.420754882e+01 4.046657038e-01 1.48 3.741175568e+00 3.067100951e+01 -1.499642367e-01 1.50 3.081626365e+00 2.742263796e+01 -6.653264449e-01 1.52 2.470807913e+00 2.444241721e+01 -1.143454359e+00 1.54 1.905609328e+00 2.171163703e+01 -1.586287025e+00 1.56 1.383106972e+00 1.921272899e+01 -1.995672850e+00 1.58 9.005536101e-01 1.692912970e+01 -2.373373215e+00 1.60 4.553681651e-01 1.484517803e+01 -2.721065937e+00 1.62 4.512605949e-02 1.294604638e+01 -3.040348605e+00 1.64 -3.324499037e-01 1.121770174e+01 -3.332741776e+00 1.66 -6.794981415e-01 9.646888490e+00 -3.599692039e+00 1.68 -9.980264038e-01 8.221123800e+00 -3.842574960e+00 1.70 -1.289919423e+00 6.928697106e+00 -4.062697900e+00 1.72 -1.556946127e+00 5.758667020e+00 -4.261302707e+00 1.74 -1.800766434e+00 4.700851561e+00 -4.439568302e+00 1.76 -2.022937664e+00 3.745809961e+00 -4.598613143e+00 1.78 -2.224920573e+00 2.884816143e+00 -4.739497580e+00 1.80 -2.408085045e+00 2.109825182e+00 -4.863226099e+00 1.82 -2.573715456e+00 1.413434660e+00 -4.970749466e+00 1.84 -2.723015743e+00 7.888429382e-01 -5.062966760e+00 1.86 -2.857114176e+00 2.298061796e-01 -5.140727310e+00 1.88 -2.977067876e+00 -2.694043601e-01 -5.204832534e+00 1.90 -3.083867089e+00 -7.140436624e-01 -5.256037680e+00 1.92 -3.178439218e+00 -1.108932134e+00 -5.295053478e+00 1.94 -3.261652648e+00 -1.458492205e+00 -5.322547708e+00 1.96 -3.334320362e+00 -1.766782119e+00 -5.339146677e+00 1.98 -3.397203358e+00 -2.037526880e+00 -5.345436629e+00 2.00 -3.451013875e+00 -2.274146432e+00 -5.341965083e+00 2.02 -3.496418443e+00 -2.479781220e+00 -5.329242111e+00 2.04 -3.534040739e+00 -2.657315311e+00 -5.307741570e+00 2.06 -3.564464279e+00 -2.809397290e+00 -5.277902311e+00 2.08 -3.588234936e+00 -2.938459128e+00 -5.240129371e+00 2.10 -3.605863293e+00 -3.046733204e+00 -5.194795193e+00 2.12 -3.617826839e+00 -3.136267677e+00 -5.142240897e+00 2.14 -3.624572014e+00 -3.208940351e+00 -5.082777650e+00 2.16 -3.626516112e+00 -3.266471189e+00 -5.016688203e+00 2.18 -3.624049053e+00 -3.310433593e+00 -4.944228647e+00 2.20 -3.617535035e+00 -3.342264564e+00 -4.865630506e+00 2.22 -3.607314070e+00 -3.363273855e+00 -4.781103252e+00 2.24 -3.593703427e+00 -3.374652188e+00 -4.690837397e+00 2.26 -3.576998975e+00 -3.377478645e+00 -4.595008321e+00 2.28 -3.557476451e+00 -3.372727305e+00 -4.493781016e+00 2.30 -3.535392655e+00 -3.361273224e+00 -4.387315963e+00 2.32 -3.510986574e+00 -3.343897866e+00 -4.275776378e+00 2.34 -3.484480453e+00 -3.321294089e+00 -4.159337038e+00 2.36 -3.456080804e+00 -3.294070857e+00 -4.038194906e+00 2.38 -3.425979376e+00 -3.262757830e+00 -3.912581680e+00 2.40 -3.394354066e+00 -3.227810073e+00 -3.782778280e+00 2.42 -3.361369793e+00 -3.189613131e+00 -3.649131086e+00 2.44 -3.327179329e+00 -3.148488765e+00 -3.512069423e+00 2.46 -3.291924086e+00 -3.104701632e+00 -3.372123397e+00 2.48 -3.255734867e+00 -3.058467174e+00 -3.229940661e+00 2.50 -3.218732572e+00 -3.009960826e+00 -3.086300115e+00 2.52 -3.181028875e+00 -2.959328493e+00 -2.942119958e+00 2.54 -3.142726854e+00 -2.906697946e+00 -2.798457096e+00 2.56 -3.103921590e+00 -2.852190489e+00 -2.656494796e+00 2.58 -3.064700727e+00 -2.795931957e+00 -2.517515886e+00 2.60 -3.025145004e+00 -2.738061965e+00 -2.382859976e+00 2.62 -2.985328742e+00 -2.678740349e+00 -2.253865070e+00 2.64 -2.945320305e+00 -2.618150034e+00 -2.131796551e+00 2.66 -2.905182537e+00 -2.556496060e+00 -2.017769362e+00 2.68 -2.864973151e+00 -2.494001068e+00 -1.912671738e+00 2.70 -2.824745112e+00 -2.430898116e+00 -1.817100267e+00 2.72 -2.784546971e+00 -2.367422063e+00 -1.731315793e+00 2.74 -2.744423194e+00 -2.303800874e+00 -1.655227452e+00 2.76 -2.704414454e+00 -2.240248062e+00 -1.588408259e+00 2.78 -2.664557908e+00 -2.176957095e+00 -1.530140823e+00 2.80 -2.624887451e+00 -2.114098172e+00 -1.479487161e+00 2.82 -2.585433947e+00 -2.051817288e+00 -1.435373037e+00 2.84 -2.546225457e+00 -1.990237189e+00 -1.396675702e+00 2.86 -2.507287430e+00 -1.929459586e+00 -1.362304294e+00 2.88 -2.468642899e+00 -1.869568028e+00 -1.331264398e+00 2.90 -2.430312649e+00 -1.810630856e+00 -1.302701647e+00 2.92 -2.392315380e+00 -1.752703889e+00 -1.275922979e+00 2.94 -2.354667857e+00 -1.695832651e+00 -1.250397655e+00 2.96 -2.317385049e+00 -1.640054103e+00 -1.225742612e+00 2.98 -2.280480256e+00 -1.585397941e+00 -1.201698062e+00 3.00 -2.243965232e+00 -1.531887575e+00 -1.178099234e+00 3.02 -2.207850297e+00 -1.479540876e+00 -1.154849106e+00 3.04 -2.172144438e+00 -1.428370785e+00 -1.131895309e+00 3.06 -2.136855410e+00 -1.378385824e+00 -1.109212614e+00 3.08 -2.101989829e+00 -1.329590558e+00 -1.086790933e+00 3.10 -2.067553249e+00 -1.281985999e+00 -1.064627883e+00 3.12 -2.033550250e+00 -1.235569983e+00 -1.042724615e+00 3.14 -1.999984509e+00 -1.190337511e+00 -1.021083701e+00 3.16 -1.966858869e+00 -1.146281065e+00 -9.997081610e-01 3.18 -1.934175403e+00 -1.103390893e+00 -9.786010656e-01 3.20 -1.901935479e+00 -1.061655271e+00 -9.577653770e-01 3.22 -1.870139813e+00 -1.021060745e+00 -9.372038909e-01 3.24 -1.838788523e+00 -9.815923477e-01 -9.169192105e-01 3.26 -1.807881180e+00 -9.432337989e-01 -8.969137322e-01 3.28 -1.777416854e+00 -9.059676871e-01 -8.771896358e-01 3.30 -1.747394157e+00 -8.697756346e-01 -8.577488773e-01 3.32 -1.717811281e+00 -8.346384479e-01 -8.385931837e-01 3.34 -1.688666043e+00 -8.005362532e-01 -8.197240495e-01 3.36 -1.659955911e+00 -7.674486206e-01 -8.011427349e-01 3.38 -1.631678045e+00 -7.353546748e-01 -7.828502650e-01 3.40 -1.603829321e+00 -7.042331966e-01 -7.648474310e-01 3.42 -1.576406364e+00 -6.740627134e-01 -7.471347917e-01 3.44 -1.549405571e+00 -6.448215807e-01 -7.297126761e-01 3.46 -1.522823139e+00 -6.164880564e-01 -7.125811878e-01 3.48 -1.496655083e+00 -5.890403657e-01 -6.957402085e-01 3.50 -1.470897262e+00 -5.624567610e-01 -6.791894037e-01 3.52 -1.445545393e+00 -5.367155734e-01 -6.629282281e-01 3.54 -1.420595075e+00 -5.117952604e-01 -6.469559319e-01 3.56 -1.396041800e+00 -4.876744472e-01 -6.312715669e-01 3.58 -1.371880972e+00 -4.643319630e-01 -6.158739937e-01 3.60 -1.348107916e+00 -4.417468738e-01 -6.007618887e-01 3.62 -1.324717899e+00 -4.198985108e-01 -5.859337513e-01 3.64 -1.301706133e+00 -3.987664949e-01 -5.713879118e-01 3.66 -1.279067792e+00 -3.783307585e-01 -5.571225383e-01 3.68 -1.256798020e+00 -3.585715639e-01 -5.431356453e-01 3.70 -1.234891938e+00 -3.394695195e-01 -5.294251005e-01 3.72 -1.213344655e+00 -3.210055929e-01 -5.159886330e-01 3.74 -1.192151275e+00 -3.031611224e-01 -5.028238411e-01 3.76 -1.171306900e+00 -2.859178263e-01 -4.899281996e-01 3.78 -1.150806645e+00 -2.692578107e-01 -4.772990675e-01 3.80 -1.130645633e+00 -2.531635750e-01 -4.649336955e-01 3.82 -1.110819007e+00 -2.376180167e-01 -4.528292331e-01 3.84 -1.091321933e+00 -2.226044348e-01 -4.409827361e-01 3.86 -1.072149604e+00 -2.081065313e-01 -4.293911735e-01 3.88 -1.053297242e+00 -1.941084130e-01 -4.180514343e-01 3.90 -1.034760103e+00 -1.805945911e-01 -4.069603342e-01 3.92 -1.016533481e+00 -1.675499808e-01 -3.961146223e-01 3.94 -9.986127088e-01 -1.549598994e-01 -3.855109872e-01 3.96 -9.809931593e-01 -1.428100650e-01 -3.751460633e-01 3.98 -9.636702505e-01 -1.310865931e-01 -3.650164367e-01 4.00 -9.466394453e-01 -1.197759939e-01 -3.551186509e-01 4.02 -9.298962534e-01 -1.088651682e-01 -3.454492120e-01 4.04 -9.134362330e-01 -9.834140420e-02 -3.360045948e-01 4.06 -8.972549914e-01 -8.819237220e-02 -3.267812472e-01 4.08 -8.813481865e-01 -7.840612057e-02 -3.177755952e-01 4.10 -8.657115271e-01 -6.897107056e-02 -3.089840481e-01 4.12 -8.503407739e-01 -5.987601119e-02 -3.004030024e-01 4.14 -8.352317400e-01 -5.111009385e-02 -2.920288461e-01 4.16 -8.203802911e-01 -4.266282674e-02 -2.838579635e-01 4.18 -8.057823460e-01 -3.452406914e-02 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