# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Ostovari-Moghaddam-A-Fereidonnejad-R-Moaddeli-M-et-al--Zr-Ni # implementation = 2025--Ostovari-Moghaddam-A--Zr-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 2025-07-01 r Ni Zr Ni Ni Zr Zr 0.02 5.594720127e+02 1.192811351e+03 2.818972950e+02 0.04 5.384448065e+02 1.123164101e+03 2.716522177e+02 0.06 5.180018254e+02 1.057435218e+03 2.617570217e+02 0.08 4.981412847e+02 9.954101018e+02 2.522002374e+02 0.10 4.788599740e+02 9.368856441e+02 2.429707603e+02 0.12 4.601534094e+02 8.816696208e+02 2.340578401e+02 0.14 4.420159736e+02 8.295801226e+02 2.254510696e+02 0.16 4.244410448e+02 7.804450127e+02 2.171403734e+02 0.18 4.074211160e+02 7.341014112e+02 2.091159984e+02 0.20 3.909479042e+02 6.903952093e+02 2.013685029e+02 0.22 3.750124509e+02 6.491806056e+02 1.938887475e+02 0.24 3.596052145e+02 6.103196675e+02 1.866678853e+02 0.26 3.447161548e+02 5.736819165e+02 1.796973527e+02 0.28 3.303348109e+02 5.391439329e+02 1.729688607e+02 0.30 3.164503715e+02 5.065889820e+02 1.664743863e+02 0.32 3.030517399e+02 4.759066609e+02 1.602061640e+02 0.34 2.901275929e+02 4.469925608e+02 1.541566777e+02 0.36 2.776664346e+02 4.197479498e+02 1.483186531e+02 0.38 2.656566453e+02 3.940794711e+02 1.426850499e+02 0.40 2.540865254e+02 3.698988555e+02 1.372490546e+02 0.42 2.429443355e+02 3.471226517e+02 1.320040730e+02 0.44 2.322183328e+02 3.256719686e+02 1.269437239e+02 0.46 2.218968032e+02 3.054722315e+02 1.220618318e+02 0.48 2.119680908e+02 2.864529518e+02 1.173524208e+02 0.50 2.024206239e+02 2.685475076e+02 1.128097082e+02 0.52 1.932429379e+02 2.516929370e+02 1.084280983e+02 0.54 1.844236965e+02 2.358297413e+02 1.042021766e+02 0.56 1.759517094e+02 2.209016993e+02 1.001267041e+02 0.58 1.678159487e+02 2.068556905e+02 9.619661167e+01 0.60 1.600055624e+02 1.936415286e+02 9.240699473e+01 0.62 1.525098869e+02 1.812118031e+02 8.875310805e+01 0.64 1.453184572e+02 1.695217293e+02 8.523036065e+01 0.66 1.384210153e+02 1.585290067e+02 8.183431097e+01 0.68 1.318075181e+02 1.481936841e+02 7.856066209e+01 0.70 1.254681433e+02 1.384780329e+02 7.540525718e+01 0.72 1.193932937e+02 1.293464261e+02 7.236407500e+01 0.74 1.135736016e+02 1.207652241e+02 6.943322566e+01 0.76 1.079999310e+02 1.127026669e+02 6.660894637e+01 0.78 1.026633796e+02 1.051287717e+02 6.388759746e+01 0.80 9.755528013e+01 9.801523554e+01 6.126565842e+01 0.82 9.266719991e+01 9.133534437e+01 5.873972413e+01 0.84 8.799094100e+01 8.506388542e+01 5.630650115e+01 0.86 8.351853902e+01 7.917706549e+01 5.396280419e+01 0.88 7.924226158e+01 7.365243297e+01 5.170555263e+01 0.90 7.515460630e+01 6.846880413e+01 4.953176720e+01 0.92 7.124829839e+01 6.360619365e+01 4.743856673e+01 0.94 6.751628779e+01 5.904574843e+01 4.542316498e+01 0.96 6.395174602e+01 5.476968529e+01 4.348286767e+01 0.98 6.054806280e+01 5.076123196e+01 4.161506945e+01 1.00 5.729884231e+01 4.700457111e+01 3.981725111e+01 1.02 5.419789933e+01 4.348478754e+01 3.808697679e+01 1.04 5.123925512e+01 4.018781824e+01 3.642189129e+01 1.06 4.841713321e+01 3.710040494e+01 3.481971752e+01 1.08 4.572595500e+01 3.421004952e+01 3.327825392e+01 1.10 4.316033534e+01 3.150497162e+01 3.179537209e+01 1.12 4.071507795e+01 2.897406859e+01 3.036901439e+01 1.14 3.838517082e+01 2.660687777e+01 2.899719168e+01 1.16 3.616578157e+01 2.439354057e+01 2.767798108e+01 1.18 3.405225274e+01 2.232476870e+01 2.640952387e+01 1.20 3.204009717e+01 2.039181218e+01 2.519002337e+01 1.22 3.012499324e+01 1.858642909e+01 2.401774295e+01 1.24 2.830278030e+01 1.690085697e+01 2.289100409e+01 1.26 2.656945395e+01 1.532778584e+01 2.180818448e+01 1.28 2.492116149e+01 1.386033258e+01 2.076771618e+01 1.30 2.335419735e+01 1.249201690e+01 1.976808389e+01 1.32 2.186499859e+01 1.121673844e+01 1.880782321e+01 1.34 2.045014048e+01 1.002875525e+01 1.788551895e+01 1.36 1.910633211e+01 8.922663441e+00 1.699980360e+01 1.38 1.783041207e+01 7.893377925e+00 1.614935568e+01 1.40 1.661934428e+01 6.936114235e+00 1.533289831e+01 1.42 1.547021380e+01 6.046371388e+00 1.454919771e+01 1.44 1.438022278e+01 5.219915625e+00 1.379706176e+01 1.46 1.334668650e+01 4.452765129e+00 1.307533868e+01 1.48 1.236702945e+01 3.741175554e+00 1.238291568e+01 1.50 1.143878157e+01 3.081626351e+00 1.171871765e+01 1.52 1.055957453e+01 2.470807900e+00 1.108170598e+01 1.54 9.727138091e+00 1.905609318e+00 1.047087724e+01 1.56 8.939296628e+00 1.383106961e+00 9.885262142e+00 1.58 8.193965673e+00 9.005536009e-01 9.323924297e+00 1.60 7.489148584e+00 4.553681579e-01 8.785959179e+00 1.62 6.822933301e+00 4.512605132e-02 8.270493042e+00 1.64 6.193489205e+00 -3.324499097e-01 7.776681888e+00 1.66 5.599064039e+00 -6.794981469e-01 7.303710471e+00 1.68 5.037980937e+00 -9.980264096e-01 6.850791329e+00 1.70 4.508635512e+00 -1.289919427e+00 6.417163843e+00 1.72 4.009492986e+00 -1.556946131e+00 6.002093331e+00 1.74 3.539085352e+00 -1.800766438e+00 5.604870167e+00 1.76 3.096008455e+00 -2.022937667e+00 5.224808922e+00 1.78 2.678918928e+00 -2.224920577e+00 4.861247540e+00 1.80 2.286530827e+00 -2.408085048e+00 4.513546535e+00 1.82 1.917611759e+00 -2.573715459e+00 4.181088211e+00 1.84 1.570978292e+00 -2.723015746e+00 3.863275904e+00 1.86 1.245490388e+00 -2.857114177e+00 3.559533257e+00 1.88 9.400446393e-01 -2.977067878e+00 3.269303500e+00 1.90 6.535662007e-01 -3.083867092e+00 2.992048770e+00 1.92 3.849994046e-01 -3.178439220e+00 2.727249435e+00 1.94 1.332973224e-01 -3.261652650e+00 2.474403448e+00 1.96 -1.025892119e-01 -3.334320364e+00 2.233025716e+00 1.98 -3.237223226e-01 -3.397203359e+00 2.002647490e+00 2.00 -5.311864484e-01 -3.451013877e+00 1.782815767e+00 2.02 -7.260950001e-01 -3.496418444e+00 1.573092717e+00 2.04 -9.095928541e-01 -3.534040739e+00 1.373055124e+00 2.06 -1.082853160e+00 -3.564464280e+00 1.182293835e+00 2.08 -1.247067079e+00 -3.588234936e+00 1.000413243e+00 2.10 -1.403425389e+00 -3.605863293e+00 8.270307605e-01 2.12 -1.553091355e+00 -3.617826840e+00 6.617763329e-01 2.14 -1.697165111e+00 -3.624572014e+00 5.042919485e-01 2.16 -1.836640814e+00 -3.626516112e+00 3.542311694e-01 2.18 -1.972359187e+00 -3.624049053e+00 2.112586777e-01 2.20 -2.104959667e+00 -3.617535035e+00 7.504983236e-02 2.22 -2.234837834e+00 -3.607314071e+00 -5.470975929e-02 2.24 -2.362114963e+00 -3.593703427e+00 -1.783246542e-01 2.26 -2.486626655e+00 -3.576998975e+00 -2.960899754e-01 2.28 -2.607936222e+00 -3.557476452e+00 -4.082917976e-01 2.30 -2.725375436e+00 -3.535392655e+00 -5.152075181e-01 2.32 -2.838110764e+00 -3.510986574e+00 -6.171062140e-01 2.34 -2.945228080e+00 -3.484480453e+00 -7.142489816e-01 2.36 -3.045824699e+00 -3.456080804e+00 -8.068892595e-01 2.38 -3.139095601e+00 -3.425979376e+00 -8.952731351e-01 2.40 -3.224401952e+00 -3.394354066e+00 -9.796396283e-01 2.42 -3.301314018e+00 -3.361369793e+00 -1.060220957e+00 2.44 -3.369626079e+00 -3.327179329e+00 -1.137242777e+00 2.46 -3.429346275e+00 -3.291924086e+00 -1.210924397e+00 2.48 -3.480668006e+00 -3.255734867e+00 -1.281478966e+00 2.50 -3.523930889e+00 -3.218732572e+00 -1.349113624e+00 2.52 -3.559578741e+00 -3.181028875e+00 -1.414029624e+00 2.54 -3.588120183e+00 -3.142726854e+00 -1.476422409e+00 2.56 -3.610095236e+00 -3.103921590e+00 -1.536481645e+00 2.58 -3.626049293e+00 -3.064700727e+00 -1.594391204e+00 2.60 -3.636514385e+00 -3.025145004e+00 -1.650329098e+00 2.62 -3.641996829e+00 -2.985328742e+00 -1.704467337e+00 2.64 -3.642969985e+00 -2.945320305e+00 -1.756971736e+00 2.66 -3.639870819e+00 -2.905182537e+00 -1.808001634e+00 2.68 -3.633099124e+00 -2.864973151e+00 -1.857709540e+00 2.70 -3.623018491e+00 -2.824745112e+00 -1.906240685e+00 2.72 -3.609958312e+00 -2.784546971e+00 -1.953732487e+00 2.74 -3.594216343e+00 -2.744423194e+00 -2.000313909e+00 2.76 -3.576061491e+00 -2.704414454e+00 -2.046104726e+00 2.78 -3.555736598e+00 -2.664557909e+00 -2.091214683e+00 2.80 -3.533461111e+00 -2.624887451e+00 -2.135742550e+00 2.82 -3.509433552e+00 -2.585433947e+00 -2.179775094e+00 2.84 -3.483833773e+00 -2.546225457e+00 -2.223385959e+00 2.86 -3.456824978e+00 -2.507287430e+00 -2.266634487e+00 2.88 -3.428555519e+00 -2.468642899e+00 -2.309564503e+00 2.90 -3.399160486e+00 -2.430312649e+00 -2.352203089e+00 2.92 -3.368763112e+00 -2.392315380e+00 -2.394559406e+00 2.94 -3.337476000e+00 -2.354667857e+00 -2.436623608e+00 2.96 -3.305402209e+00 -2.317385049e+00 -2.478365906e+00 2.98 -3.272636207e+00 -2.280480256e+00 -2.519735875e+00 3.00 -3.239264703e+00 -2.243965233e+00 -2.560662058e+00 3.02 -3.205367391e+00 -2.207850297e+00 -2.601051970e+00 3.04 -3.171017595e+00 -2.172144438e+00 -2.640792576e+00 3.06 -3.136282852e+00 -2.136855411e+00 -2.679751312e+00 3.08 -3.101225416e+00 -2.101989829e+00 -2.717777719e+00 3.10 -3.065902722e+00 -2.067553249e+00 -2.754705723e+00 3.12 -3.030367782e+00 -2.033550250e+00 -2.790356561e+00 3.14 -2.994669555e+00 -1.999984509e+00 -2.824542338e+00 3.16 -2.958853270e+00 -1.966858869e+00 -2.857070120e+00 3.18 -2.922960719e+00 -1.934175403e+00 -2.887746459e+00 3.20 -2.887030525e+00 -1.901935479e+00 -2.916382193e+00 3.22 -2.851098374e+00 -1.870139813e+00 -2.942797314e+00 3.24 -2.815197241e+00 -1.838788523e+00 -2.966825702e+00 3.26 -2.779357581e+00 -1.807881180e+00 -2.988319500e+00 3.28 -2.743607510e+00 -1.777416855e+00 -3.007152928e+00 3.30 -2.707972975e+00 -1.747394157e+00 -3.023225352e+00 3.32 -2.672477897e+00 -1.717811282e+00 -3.036463488e+00 3.34 -2.637144316e+00 -1.688666043e+00 -3.046822667e+00 3.36 -2.601992515e+00 -1.659955912e+00 -3.054287135e+00 3.38 -2.567041138e+00 -1.631678045e+00 -3.058869452e+00 3.40 -2.532307301e+00 -1.603829321e+00 -3.060609078e+00 3.42 -2.497806688e+00 -1.576406364e+00 -3.059570269e+00 3.44 -2.463553648e+00 -1.549405571e+00 -3.055839454e+00 3.46 -2.429561281e+00 -1.522823139e+00 -3.049522240e+00 3.48 -2.395841516e+00 -1.496655083e+00 -3.040740218e+00 3.50 -2.362405187e+00 -1.470897262e+00 -3.029627692e+00 3.52 -2.329262106e+00 -1.445545393e+00 -3.016328482e+00 3.54 -2.296421121e+00 -1.420595076e+00 -3.000992865e+00 3.56 -2.263890185e+00 -1.396041801e+00 -2.983774762e+00 3.58 -2.231676408e+00 -1.371880972e+00 -2.964829193e+00 3.60 -2.199786109e+00 -1.348107916e+00 -2.944310045e+00 3.62 -2.168224873e+00 -1.324717899e+00 -2.922368168e+00 3.64 -2.136997589e+00 -1.301706133e+00 -2.899149791e+00 3.66 -2.106108502e+00 -1.279067793e+00 -2.874795249e+00 3.68 -2.075561249e+00 -1.256798020e+00 -2.849438006e+00 3.70 -2.045358902e+00 -1.234891938e+00 -2.823203944e+00 3.72 -2.015504000e+00 -1.213344655e+00 -2.796210899e+00 3.74 -1.985998589e+00 -1.192151275e+00 -2.768568397e+00 3.76 -1.956844252e+00 -1.171306901e+00 -2.740377582e+00 3.78 -1.928042137e+00 -1.150806645e+00 -2.711731290e+00 3.80 -1.899592992e+00 -1.130645633e+00 -2.682714247e+00 3.82 -1.871497186e+00 -1.110819007e+00 -2.653403365e+00 3.84 -1.843754741e+00 -1.091321933e+00 -2.623868110e+00 3.86 -1.816365350e+00 -1.072149604e+00 -2.594170928e+00 3.88 -1.789328406e+00 -1.053297242e+00 -2.564367701e+00 3.90 -1.762643020e+00 -1.034760103e+00 -2.534508220e+00 3.92 -1.736308042e+00 -1.016533481e+00 -2.504636676e+00 3.94 -1.710322080e+00 -9.986127089e-01 -2.474792130e+00 3.96 -1.684683522e+00 -9.809931594e-01 -2.445008990e+00 3.98 -1.659390548e+00 -9.636702506e-01 -2.415317451e+00 4.00 -1.634441148e+00 -9.466394454e-01 -2.385743926e+00 4.02 -1.609833140e+00 -9.298962535e-01 -2.356311443e+00 4.04 -1.585564181e+00 -9.134362331e-01 -2.327040015e+00 4.06 -1.561631784e+00 -8.972549915e-01 -2.297946981e+00 4.08 -1.538033325e+00 -8.813481866e-01 -2.269047322e+00 4.10 -1.514766063e+00 -8.657115272e-01 -2.240353938e+00 4.12 -1.491827144e+00 -8.503407740e-01 -2.211877904e+00 4.14 -1.469213618e+00 -8.352317401e-01 -2.183628704e+00 4.16 -1.446922444e+00 -8.203802913e-01 -2.155614422e+00 4.18 -1.424950503e+00 -8.057823461e-01 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