# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Lee-B-J-Shim-J-H--Cu-Ni # implementation = 2004--Lee-B-J--Cu-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 Cu Cu Cu Ni Ni Ni 0.02 1.066119302e+03 1.210053971e+03 1.192811354e+03 0.04 1.004671343e+03 1.139494991e+03 1.123164104e+03 0.06 9.466267788e+02 1.072897439e+03 1.057435221e+03 0.08 8.918022676e+02 1.010044901e+03 9.954101045e+02 0.10 8.400241260e+02 9.507325113e+02 9.368856465e+02 0.12 7.911278290e+02 8.947663552e+02 8.816696230e+02 0.14 7.449575364e+02 8.419628919e+02 8.295801248e+02 0.16 7.013656434e+02 7.921484130e+02 7.804450146e+02 0.18 6.602123541e+02 7.451585273e+02 7.341014131e+02 0.20 6.213652763e+02 7.008376711e+02 6.903952111e+02 0.22 5.846990374e+02 6.590386450e+02 6.491806072e+02 0.24 5.500949199e+02 6.196221731e+02 6.103196690e+02 0.26 5.174405149e+02 5.824564869e+02 5.736819180e+02 0.28 4.866293939e+02 5.474169280e+02 5.391439342e+02 0.30 4.575607973e+02 5.143855741e+02 5.065889834e+02 0.32 4.301393385e+02 4.832508823e+02 4.759066620e+02 0.34 4.042747234e+02 4.539073515e+02 4.469925618e+02 0.36 3.798814843e+02 4.262552029e+02 4.197479509e+02 0.38 3.568787272e+02 4.002000760e+02 3.940794720e+02 0.40 3.351898926e+02 3.756527412e+02 3.698988564e+02 0.42 3.147425278e+02 3.525288268e+02 3.471226525e+02 0.44 2.954680719e+02 3.307485609e+02 3.256719694e+02 0.46 2.773016506e+02 3.102365258e+02 3.054722323e+02 0.48 2.601818831e+02 2.909214263e+02 2.864529525e+02 0.50 2.440506976e+02 2.727358688e+02 2.685475082e+02 0.52 2.288531570e+02 2.556161534e+02 2.516929376e+02 0.54 2.145372936e+02 2.395020754e+02 2.358297419e+02 0.56 2.010539522e+02 2.243367388e+02 2.209016998e+02 0.58 1.883566414e+02 2.100663780e+02 2.068556909e+02 0.60 1.764013925e+02 1.966401900e+02 1.936415290e+02 0.62 1.651466258e+02 1.840101749e+02 1.812118035e+02 0.64 1.545530237e+02 1.721309850e+02 1.695217297e+02 0.66 1.445834110e+02 1.609597814e+02 1.585290070e+02 0.68 1.352026404e+02 1.504560993e+02 1.481936844e+02 0.70 1.263774848e+02 1.405817187e+02 1.384780332e+02 0.72 1.180765349e+02 1.313005437e+02 1.293464264e+02 0.74 1.102701022e+02 1.225784868e+02 1.207652244e+02 0.76 1.029301271e+02 1.143833604e+02 1.127026672e+02 0.78 9.603009146e+01 1.066847730e+02 1.051287719e+02 0.80 8.954493650e+01 9.945403201e+01 9.801523577e+01 0.82 8.345098414e+01 9.266405088e+01 9.133534456e+01 0.84 7.772586306e+01 8.628926162e+01 8.506388561e+01 0.86 7.234843838e+01 8.030553177e+01 7.917706567e+01 0.88 6.729874513e+01 7.469008599e+01 7.365243312e+01 0.90 6.255792515e+01 6.942143162e+01 6.846880429e+01 0.92 5.810816744e+01 6.447928848e+01 6.360619379e+01 0.94 5.393265149e+01 5.984452216e+01 5.904574855e+01 0.96 5.001549373e+01 5.549908111e+01 5.476968541e+01 0.98 4.634169677e+01 5.142593694e+01 5.076123207e+01 1.00 4.289710130e+01 4.760902809e+01 4.700457120e+01 1.02 3.966834061e+01 4.403320636e+01 4.348478764e+01 1.04 3.664279743e+01 4.068418646e+01 4.018781832e+01 1.06 3.380856312e+01 3.754849823e+01 3.710040503e+01 1.08 3.115439904e+01 3.461344140e+01 3.421004960e+01 1.10 2.866969995e+01 3.186704288e+01 3.150497168e+01 1.12 2.634445933e+01 2.929801628e+01 2.897406866e+01 1.14 2.416923663e+01 2.689572371e+01 2.660687783e+01 1.16 2.213512621e+01 2.465013953e+01 2.439354062e+01 1.18 2.023372795e+01 2.255181622e+01 2.232476875e+01 1.20 1.845711945e+01 2.059185201e+01 2.039181223e+01 1.22 1.679782971e+01 1.876186028e+01 1.858642913e+01 1.24 1.524881423e+01 1.705394071e+01 1.690085701e+01 1.26 1.380343142e+01 1.546065186e+01 1.532778587e+01 1.28 1.245542035e+01 1.397498545e+01 1.386033262e+01 1.30 1.119887958e+01 1.259034188e+01 1.249201693e+01 1.32 1.002824727e+01 1.130050720e+01 1.121673847e+01 1.34 8.938282279e+00 1.009963133e+01 1.002875528e+01 1.36 7.924046279e+00 8.982207426e+00 8.922663466e+00 1.38 6.980886889e+00 7.943052507e+00 7.893377945e+00 1.40 6.104421697e+00 6.977289042e+00 6.936114258e+00 1.42 5.290523137e+00 6.080327617e+00 6.046371406e+00 1.44 4.535304218e+00 5.247850552e+00 5.219915642e+00 1.46 3.835105001e+00 4.475796431e+00 4.452765146e+00 1.48 3.186479838e+00 3.760345478e+00 3.741175567e+00 1.50 2.586185294e+00 3.097905763e+00 3.081626365e+00 1.52 2.031168732e+00 2.485100145e+00 2.470807912e+00 1.54 1.518557540e+00 1.918753963e+00 1.905609328e+00 1.56 1.045648923e+00 1.395883380e+00 1.383106972e+00 1.58 6.099002960e-01 9.136843928e-01 9.005536106e-01 1.60 2.089201673e-01 4.695224167e-01 4.553681651e-01 1.62 -1.595404347e-01 6.092247001e-02 4.512606003e-02 1.64 -4.975960862e-01 -3.144401270e-01 -3.324499033e-01 1.66 -8.072346227e-01 -6.587485255e-01 -6.794981410e-01 1.68 -1.090324377e+00 -9.740526494e-01 -9.980264030e-01 1.70 -1.348621011e+00 -1.262277033e+00 -1.289919423e+00 1.72 -1.583773965e+00 -1.525228225e+00 -1.556946126e+00 1.74 -1.797332553e+00 -1.764601779e+00 -1.800766434e+00 1.76 -1.990751715e+00 -1.981988846e+00 -2.022937664e+00 1.78 -2.165397460e+00 -2.178882403e+00 -2.224920573e+00 1.80 -2.322551998e+00 -2.356683103e+00 -2.408085044e+00 1.82 -2.463418601e+00 -2.516704810e+00 -2.573715456e+00 1.84 -2.589126198e+00 -2.660179788e+00 -2.723015743e+00 1.86 -2.700733716e+00 -2.788263589e+00 -2.857114175e+00 1.88 -2.799234188e+00 -2.902039646e+00 -2.977067876e+00 1.90 -2.885558643e+00 -3.002523588e+00 -3.083867089e+00 1.92 -2.960579784e+00 -3.090667285e+00 -3.178439218e+00 1.94 -3.025115463e+00 -3.167362646e+00 -3.261652648e+00 1.96 -3.079931974e+00 -3.233445187e+00 -3.334320363e+00 1.98 -3.125747156e+00 -3.289697365e+00 -3.397203358e+00 2.00 -3.163233334e+00 -3.336851726e+00 -3.451013876e+00 2.02 -3.193020083e+00 -3.375593851e+00 -3.496418443e+00 2.04 -3.215696845e+00 -3.406565129e+00 -3.534040739e+00 2.06 -3.231815382e+00 -3.430365373e+00 -3.564464279e+00 2.08 -3.241892089e+00 -3.447555291e+00 -3.588234936e+00 2.10 -3.246410168e+00 -3.458658811e+00 -3.605863293e+00 2.12 -3.245821659e+00 -3.464165293e+00 -3.617826839e+00 2.14 -3.240549352e+00 -3.464531620e+00 -3.624572014e+00 2.16 -3.230988569e+00 -3.460184173e+00 -3.626516112e+00 2.18 -3.217508833e+00 -3.451520713e+00 -3.624049053e+00 2.20 -3.200455427e+00 -3.438912154e+00 -3.617535035e+00 2.22 -3.180150852e+00 -3.422704245e+00 -3.607314070e+00 2.24 -3.156896181e+00 -3.403219152e+00 -3.593703427e+00 2.26 -3.130972333e+00 -3.380756954e+00 -3.576998975e+00 2.28 -3.102641258e+00 -3.355597046e+00 -3.557476451e+00 2.30 -3.072147051e+00 -3.327999458e+00 -3.535392655e+00 2.32 -3.039716986e+00 -3.298206085e+00 -3.510986574e+00 2.34 -3.005562503e+00 -3.266441845e+00 -3.484480453e+00 2.36 -2.969880120e+00 -3.232915756e+00 -3.456080804e+00 2.38 -2.932852305e+00 -3.197821944e+00 -3.425979376e+00 2.40 -2.894648295e+00 -3.161340585e+00 -3.394354066e+00 2.42 -2.855424874e+00 -3.123638788e+00 -3.361369793e+00 2.44 -2.815327112e+00 -3.084871417e+00 -3.327179329e+00 2.46 -2.774489064e+00 -3.045181863e+00 -3.291924086e+00 2.48 -2.733034443e+00 -3.004702776e+00 -3.255734867e+00 2.50 -2.691077258e+00 -2.963556746e+00 -3.218732572e+00 2.52 -2.648722425e+00 -2.921856945e+00 -3.181028875e+00 2.54 -2.606066348e+00 -2.879707739e+00 -3.142726854e+00 2.56 -2.563197478e+00 -2.837205257e+00 -3.103921590e+00 2.58 -2.520196842e+00 -2.794437940e+00 -3.064700727e+00 2.60 -2.477138553e+00 -2.751487045e+00 -3.025145004e+00 2.62 -2.434090290e+00 -2.708427137e+00 -2.985328742e+00 2.64 -2.391113758e+00 -2.665326539e+00 -2.945320305e+00 2.66 -2.348265121e+00 -2.622247769e+00 -2.905182537e+00 2.68 -2.305595413e+00 -2.579247940e+00 -2.864973151e+00 2.70 -2.263150925e+00 -2.536379146e+00 -2.824745112e+00 2.72 -2.220973570e+00 -2.493688815e+00 -2.784546970e+00 2.74 -2.179101221e+00 -2.451220051e+00 -2.744423194e+00 2.76 -2.137568031e+00 -2.409011943e+00 -2.704414454e+00 2.78 -2.096404727e+00 -2.367099860e+00 -2.664557908e+00 2.80 -2.055638885e+00 -2.325515726e+00 -2.624887451e+00 2.82 -2.015295184e+00 -2.284288275e+00 -2.585433947e+00 2.84 -1.975395634e+00 -2.243443289e+00 -2.546225457e+00 2.86 -1.935959798e+00 -2.203003818e+00 -2.507287430e+00 2.88 -1.897004982e+00 -2.162990386e+00 -2.468642899e+00 2.90 -1.858546414e+00 -2.123421181e+00 -2.430312649e+00 2.92 -1.820597413e+00 -2.084312238e+00 -2.392315380e+00 2.94 -1.783169529e+00 -2.045677595e+00 -2.354667857e+00 2.96 -1.746272688e+00 -2.007529451e+00 -2.317385049e+00 2.98 -1.709915307e+00 -1.969878309e+00 -2.280480256e+00 3.00 -1.674104413e+00 -1.932733104e+00 -2.243965232e+00 3.02 -1.638845741e+00 -1.896101328e+00 -2.207850297e+00 3.04 -1.604143831e+00 -1.859989141e+00 -2.172144438e+00 3.06 -1.570002114e+00 -1.824401481e+00 -2.136855410e+00 3.08 -1.536422990e+00 -1.789342156e+00 -2.101989829e+00 3.10 -1.503407905e+00 -1.754813940e+00 -2.067553249e+00 3.12 -1.470957416e+00 -1.720818653e+00 -2.033550250e+00 3.14 -1.439071257e+00 -1.687357246e+00 -1.999984509e+00 3.16 -1.407748400e+00 -1.654429864e+00 -1.966858869e+00 3.18 -1.376987113e+00 -1.622035923e+00 -1.934175403e+00 3.20 -1.346785008e+00 -1.590174169e+00 -1.901935479e+00 3.22 -1.317139101e+00 -1.558842735e+00 -1.870139813e+00 3.24 -1.288045852e+00 -1.528039195e+00 -1.838788523e+00 3.26 -1.259501216e+00 -1.497760620e+00 -1.807881180e+00 3.28 -1.231500687e+00 -1.468003615e+00 -1.777416854e+00 3.30 -1.204039338e+00 -1.438764370e+00 -1.747394157e+00 3.32 -1.177111863e+00 -1.410038699e+00 -1.717811281e+00 3.34 -1.150712612e+00 -1.381822071e+00 -1.688666043e+00 3.36 -1.124835632e+00 -1.354109654e+00 -1.659955911e+00 3.38 -1.099474695e+00 -1.326896340e+00 -1.631678045e+00 3.40 -1.074623335e+00 -1.300176776e+00 -1.603829321e+00 3.42 -1.050274876e+00 -1.273945394e+00 -1.576406364e+00 3.44 -1.026422459e+00 -1.248196434e+00 -1.549405571e+00 3.46 -1.003059072e+00 -1.222923971e+00 -1.522823139e+00 3.48 -9.801775716e-01 -1.198121930e+00 -1.496655083e+00 3.50 -9.577707074e-01 -1.173784116e+00 -1.470897262e+00 3.52 -9.358311423e-01 -1.149904225e+00 -1.445545393e+00 3.54 -9.143514721e-01 -1.126475864e+00 -1.420595075e+00 3.56 -8.933242436e-01 -1.103492570e+00 -1.396041800e+00 3.58 -8.727419707e-01 -1.080947821e+00 -1.371880972e+00 3.60 -8.525971495e-01 -1.058835052e+00 -1.348107916e+00 3.62 -8.328822717e-01 -1.037147664e+00 -1.324717899e+00 3.64 -8.135898370e-01 -1.015879044e+00 -1.301706133e+00 3.66 -7.947123644e-01 -9.950225676e-01 -1.279067792e+00 3.68 -7.762424018e-01 -9.745716118e-01 -1.256798020e+00 3.70 -7.581725358e-01 -9.545195653e-01 -1.234891938e+00 3.72 -7.404953990e-01 -9.348598358e-01 -1.213344655e+00 3.74 -7.232036779e-01 -9.155858577e-01 -1.192151275e+00 3.76 -7.062901193e-01 -8.966910990e-01 -1.171306900e+00 3.78 -6.897475359e-01 -8.781690679e-01 -1.150806645e+00 3.80 -6.735688117e-01 -8.600133183e-01 -1.130645633e+00 3.82 -6.577469063e-01 -8.422174551e-01 -1.110819007e+00 3.84 -6.422748591e-01 -8.247751386e-01 -1.091321933e+00 3.86 -6.271457928e-01 -8.076800892e-01 -1.072149604e+00 3.88 -6.123529164e-01 -7.909260906e-01 -1.053297242e+00 3.90 -5.978895280e-01 -7.745069934e-01 -1.034760103e+00 3.92 -5.823401066e-01 -7.566863195e-01 -1.014306381e+00 3.94 -5.479686084e-01 -7.155684005e-01 -9.636010333e-01 3.96 -4.499265749e-01 -5.945002603e-01 -8.078901080e-01 3.98 -2.374734509e-01 -3.224874271e-01 -4.466122297e-01 4.00 -2.707800142e-27 -4.163021486e-27 -6.197445043e-27 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 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