# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Wu-C-Lee-B-J-Su-X--Ni-Cr # implementation = 2017--Wu-C--Ni-Cr--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 Cr Cr Cr Ni Ni Ni 0.02 3.773767894e+03 1.921254578e+03 1.192811354e+03 0.04 3.543057323e+03 1.803468601e+03 1.123164104e+03 0.06 3.326204109e+03 1.692595993e+03 1.057435221e+03 0.08 3.122318571e+03 1.588244279e+03 9.954101045e+02 0.10 2.930586656e+03 1.490042662e+03 9.368856465e+02 0.12 2.750259608e+03 1.397640852e+03 8.816696230e+02 0.14 2.580645571e+03 1.310707964e+03 8.295801248e+02 0.16 2.421102751e+03 1.228931459e+03 7.804450146e+02 0.18 2.271033803e+03 1.152016161e+03 7.341014131e+02 0.20 2.129881186e+03 1.079683309e+03 6.903952111e+02 0.22 1.997123298e+03 1.011669668e+03 6.491806072e+02 0.24 1.872271219e+03 9.477266853e+02 6.103196690e+02 0.26 1.754865952e+03 8.876196937e+02 5.736819180e+02 0.28 1.644476043e+03 8.311271516e+02 5.391439342e+02 0.30 1.540695528e+03 7.780399296e+02 5.065889834e+02 0.32 1.443142120e+03 7.281606318e+02 4.759066620e+02 0.34 1.351455610e+03 6.813029545e+02 4.469925618e+02 0.36 1.265296436e+03 6.372910791e+02 4.197479509e+02 0.38 1.184344385e+03 5.959590968e+02 3.940794720e+02 0.40 1.108297417e+03 5.571504654e+02 3.698988564e+02 0.42 1.036870584e+03 5.207174937e+02 3.471226525e+02 0.44 9.697950361e+02 4.865208552e+02 3.256719694e+02 0.46 9.068170943e+02 4.544291265e+02 3.054722323e+02 0.48 8.476973929e+02 4.243183516e+02 2.864529525e+02 0.50 7.922100746e+02 3.960716290e+02 2.685475082e+02 0.52 7.401420371e+02 3.695787216e+02 2.516929376e+02 0.54 6.912922251e+02 3.447356871e+02 2.358297419e+02 0.56 6.454709643e+02 3.214445293e+02 2.209016998e+02 0.58 6.024993330e+02 2.996128668e+02 2.068556909e+02 0.60 5.622085701e+02 2.791536215e+02 1.936415290e+02 0.62 5.244395250e+02 2.599847222e+02 1.812118035e+02 0.64 4.890421224e+02 2.420288260e+02 1.695217297e+02 0.66 4.558748475e+02 2.252130532e+02 1.585290070e+02 0.68 4.248042766e+02 2.094687381e+02 1.481936844e+02 0.70 3.957046316e+02 1.947311924e+02 1.384780332e+02 0.72 3.684573462e+02 1.809394821e+02 1.293464264e+02 0.74 3.429506870e+02 1.680362161e+02 1.207652244e+02 0.76 3.190793796e+02 1.559673471e+02 1.127026672e+02 0.78 2.967442466e+02 1.446819823e+02 1.051287719e+02 0.80 2.758518665e+02 1.341322061e+02 9.801523577e+01 0.82 2.563142631e+02 1.242729105e+02 9.133534456e+01 0.84 2.380485908e+02 1.150616368e+02 8.506388561e+01 0.86 2.209768322e+02 1.064584250e+02 7.917706567e+01 0.88 2.050255291e+02 9.842567144e+01 7.365243312e+01 0.90 1.901255278e+02 9.092799457e+01 6.846880429e+01 0.92 1.762117380e+02 8.393210843e+01 6.360619379e+01 0.94 1.632228918e+02 7.740670257e+01 5.904574855e+01 0.96 1.511013327e+02 7.132232901e+01 5.476968541e+01 0.98 1.397928282e+02 6.565129539e+01 5.076123207e+01 1.00 1.292463747e+02 6.036756402e+01 4.700457120e+01 1.02 1.194140116e+02 5.544665664e+01 4.348478764e+01 1.04 1.102506460e+02 5.086556443e+01 4.018781832e+01 1.06 1.017138882e+02 4.660266308e+01 3.710040503e+01 1.08 9.376390770e+01 4.263763263e+01 3.421004960e+01 1.10 8.636328466e+01 3.895138176e+01 3.150497168e+01 1.12 7.947685119e+01 3.552597640e+01 2.897406866e+01 1.14 7.307156171e+01 3.234457229e+01 2.660687783e+01 1.16 6.711637157e+01 2.939135136e+01 2.439354062e+01 1.18 6.158212233e+01 2.665146175e+01 2.232476875e+01 1.20 5.644143309e+01 2.411096114e+01 2.039181223e+01 1.22 5.166859772e+01 2.175676334e+01 1.858642913e+01 1.24 4.723947759e+01 1.957658790e+01 1.690085701e+01 1.26 4.313140442e+01 1.755891258e+01 1.532778587e+01 1.28 3.932311644e+01 1.569292854e+01 1.386033262e+01 1.30 3.579467724e+01 1.396849801e+01 1.249201693e+01 1.32 3.252739644e+01 1.237611452e+01 1.121673847e+01 1.34 2.950375498e+01 1.090686526e+01 1.002875528e+01 1.36 2.670733493e+01 9.552395688e+00 8.922663466e+00 1.38 2.412275325e+01 8.304876128e+00 7.893377945e+00 1.40 2.173559958e+01 7.156970320e+00 6.936114258e+00 1.42 1.953238104e+01 6.101805751e+00 6.046371406e+00 1.44 1.750048416e+01 5.132945733e+00 5.219915642e+00 1.46 1.562810317e+01 4.244363071e+00 4.452765146e+00 1.48 1.390418175e+01 3.430415277e+00 3.741175567e+00 1.50 1.231836865e+01 2.685821222e+00 3.081626365e+00 1.52 1.086097582e+01 2.005639145e+00 2.470807912e+00 1.54 9.522938754e+00 1.385245962e+00 1.905609328e+00 1.56 8.295779177e+00 8.203177704e-01 1.383106972e+00 1.58 7.171569697e+00 3.068115267e-01 9.005536106e-01 1.60 6.142900492e+00 -1.590522173e-01 4.553681651e-01 1.62 5.202847882e+00 -5.808055308e-01 4.512606003e-02 1.64 4.344938875e+00 -9.617483690e-01 -3.324499033e-01 1.66 3.563107126e+00 -1.304962910e+00 -6.794981410e-01 1.68 2.851689996e+00 -1.613327034e+00 -9.980264030e-01 1.70 2.205409964e+00 -1.889526976e+00 -1.289919423e+00 1.72 1.619349855e+00 -2.136069206e+00 -1.556946126e+00 1.74 1.088929610e+00 -2.355291573e+00 -1.800766434e+00 1.76 6.098845086e-01 -2.549373748e+00 -2.022937664e+00 1.78 1.782447382e-01 -2.720347010e+00 -2.224920573e+00 1.80 -2.096837442e-01 -2.870103389e+00 -2.408085044e+00 1.82 -5.573371727e-01 -3.000404232e+00 -2.573715456e+00 1.84 -8.679107910e-01 -3.112888169e+00 -2.723015743e+00 1.86 -1.144374633e+00 -3.209078558e+00 -2.857114175e+00 1.88 -1.389487734e+00 -3.290390392e+00 -2.977067876e+00 1.90 -1.605795961e+00 -3.358136720e+00 -3.083867089e+00 1.92 -1.795647016e+00 -3.413534584e+00 -3.178439218e+00 1.94 -1.961223867e+00 -3.457710507e+00 -3.261652648e+00 1.96 -2.104556247e+00 -3.491705545e+00 -3.334320363e+00 1.98 -2.227530284e+00 -3.516479935e+00 -3.397203358e+00 2.00 -2.331897591e+00 -3.532917358e+00 -3.451013876e+00 2.02 -2.419283811e+00 -3.541828849e+00 -3.496418443e+00 2.04 -2.491196684e+00 -3.543956395e+00 -3.534040739e+00 2.06 -2.549033618e+00 -3.539976252e+00 -3.564464279e+00 2.08 -2.594088832e+00 -3.530502044e+00 -3.588234936e+00 2.10 -2.627560060e+00 -3.516087702e+00 -3.605863293e+00 2.12 -2.650554857e+00 -3.497230317e+00 -3.617826839e+00 2.14 -2.664096521e+00 -3.474372999e+00 -3.624572014e+00 2.16 -2.669129654e+00 -3.447907824e+00 -3.626516112e+00 2.18 -2.666531433e+00 -3.418178989e+00 -3.624049053e+00 2.20 -2.657134913e+00 -3.385486268e+00 -3.617535035e+00 2.22 -2.641709696e+00 -3.350088857e+00 -3.607314070e+00 2.24 -2.620958812e+00 -3.312209668e+00 -3.593703427e+00 2.26 -2.595523589e+00 -3.272040096e+00 -3.576998975e+00 2.28 -2.565988152e+00 -3.229745183e+00 -3.557476451e+00 2.30 -2.532883579e+00 -3.185469064e+00 -3.535392655e+00 2.32 -2.496691704e+00 -3.139340442e+00 -3.510986574e+00 2.34 -2.457848602e+00 -3.091477777e+00 -3.484480453e+00 2.36 -2.416747735e+00 -3.041993816e+00 -3.456080804e+00 2.38 -2.373742766e+00 -2.990999072e+00 -3.425979376e+00 2.40 -2.329150029e+00 -2.938603939e+00 -3.394354066e+00 2.42 -2.283250623e+00 -2.884919270e+00 -3.361369793e+00 2.44 -2.236292092e+00 -2.830055436e+00 -3.327179329e+00 2.46 -2.188489621e+00 -2.774120177e+00 -3.291924086e+00 2.48 -2.140026662e+00 -2.717215723e+00 -3.255734867e+00 2.50 -2.091054705e+00 -2.659435895e+00 -3.218732572e+00 2.52 -2.041679258e+00 -2.600863069e+00 -3.181028875e+00 2.54 -1.991948579e+00 -2.541561274e+00 -3.142726854e+00 2.56 -1.941875373e+00 -2.481581932e+00 -3.103921590e+00 2.58 -1.891432841e+00 -2.420970750e+00 -3.064700727e+00 2.60 -1.840544243e+00 -2.359772287e+00 -3.025145004e+00 2.62 -1.789067784e+00 -2.298035633e+00 -2.985328742e+00 2.64 -1.736774866e+00 -2.235820417e+00 -2.945320305e+00 2.66 -1.683319131e+00 -2.173202206e+00 -2.905182537e+00 2.68 -1.628193180e+00 -2.110276432e+00 -2.864973151e+00 2.70 -1.570670212e+00 -2.047160238e+00 -2.824745112e+00 2.72 -1.509730815e+00 -1.983991945e+00 -2.784546970e+00 2.74 -1.443985045e+00 -1.920928234e+00 -2.744423194e+00 2.76 -1.371625162e+00 -1.858139454e+00 -2.704414454e+00 2.78 -1.290497072e+00 -1.795803678e+00 -2.664557908e+00 2.80 -1.198462045e+00 -1.734100232e+00 -2.624887451e+00 2.82 -1.094280764e+00 -1.673203382e+00 -2.585433947e+00 2.84 -9.790942502e-01 -1.613276749e+00 -2.546225457e+00 2.86 -8.579222549e-01 -1.554468818e+00 -2.507287430e+00 2.88 -7.396929319e-01 -1.496909757e+00 -2.468642899e+00 2.90 -6.345935587e-01 -1.440709533e+00 -2.430312649e+00 2.92 -5.499238425e-01 -1.385957251e+00 -2.392315380e+00 2.94 -4.875677008e-01 -1.332721487e+00 -2.354667857e+00 2.96 -4.446578688e-01 -1.281051408e+00 -2.317385049e+00 2.98 -4.160846999e-01 -1.230978424e+00 -2.280480256e+00 3.00 -3.967741792e-01 -1.182518162e+00 -2.243965232e+00 3.02 -3.828342171e-01 -1.135672590e+00 -2.207850297e+00 3.04 -3.717459062e-01 -1.090432134e+00 -2.172144438e+00 3.06 -3.620847216e-01 -1.046777712e+00 -2.136855410e+00 3.08 -3.531363924e-01 -1.004682590e+00 -2.101989829e+00 3.10 -3.445812901e-01 -9.641140578e-01 -2.067553249e+00 3.12 -3.362906056e-01 -9.250348792e-01 -2.033550250e+00 3.14 -3.282161008e-01 -8.874045389e-01 -1.999984509e+00 3.16 -3.203392205e-01 -8.511802851e-01 -1.966858869e+00 3.18 -3.126509797e-01 -8.163179907e-01 -1.934175403e+00 3.20 -3.051451739e-01 -7.827728507e-01 -1.901935479e+00 3.22 -2.978164278e-01 -7.504999401e-01 -1.870139813e+00 3.24 -2.906597157e-01 -7.194546490e-01 -1.838788523e+00 3.26 -2.836702538e-01 -6.895930181e-01 -1.807881180e+00 3.28 -2.768434706e-01 -6.608719893e-01 -1.777416854e+00 3.30 -2.701749921e-01 -6.332495881e-01 -1.747394157e+00 3.32 -2.636606285e-01 -6.066850498e-01 -1.717811281e+00 3.34 -2.572963633e-01 -5.811389028e-01 -1.688666043e+00 3.36 -2.510783422e-01 -5.565730152e-01 -1.659955911e+00 3.38 -2.450028631e-01 -5.329506152e-01 -1.631678045e+00 3.40 -2.390663670e-01 -5.102362908e-01 -1.603829321e+00 3.42 -2.332654293e-01 -4.883959727e-01 -1.576406364e+00 3.44 -2.275967513e-01 -4.673969071e-01 -1.549405571e+00 3.46 -2.220571535e-01 -4.472076187e-01 -1.522823139e+00 3.48 -2.166435680e-01 -4.277978693e-01 -1.496655083e+00 3.50 -2.113530322e-01 -4.091386120e-01 -1.470897262e+00 3.52 -2.061826829e-01 -3.912019439e-01 -1.445545393e+00 3.54 -2.011297506e-01 -3.739610572e-01 -1.420595075e+00 3.56 -1.961915540e-01 -3.573901918e-01 -1.396041800e+00 3.58 -1.913654958e-01 -3.414645870e-01 -1.371880972e+00 3.60 -1.866490575e-01 -3.261604359e-01 -1.348107916e+00 3.62 -1.820397955e-01 -3.114548407e-01 -1.324717899e+00 3.64 -1.775353372e-01 -2.973257701e-01 -1.301706133e+00 3.66 -1.731333774e-01 -2.837520185e-01 -1.279067792e+00 3.68 -1.688316746e-01 -2.707131677e-01 -1.256798020e+00 3.70 -1.646280483e-01 -2.581895504e-01 -1.234891938e+00 3.72 -1.605203758e-01 -2.461622157e-01 -1.213344655e+00 3.74 -1.565065894e-01 -2.346128969e-01 -1.192151275e+00 3.76 -1.525846740e-01 -2.235239810e-01 -1.171306900e+00 3.78 -1.487526648e-01 -2.128784806e-01 -1.150806645e+00 3.80 -1.450086448e-01 -2.026600069e-01 -1.130645633e+00 3.82 -1.413507430e-01 -1.928527448e-01 -1.110819007e+00 3.84 -1.377771326e-01 -1.834414296e-01 -1.091321933e+00 3.86 -1.342860286e-01 -1.744113252e-01 -1.072149604e+00 3.88 -1.308756870e-01 -1.657482032e-01 -1.053297242e+00 3.90 -1.275444023e-01 -1.574383245e-01 -1.034760103e+00 3.92 -1.238930955e-01 -1.490510602e-01 -1.014306381e+00 3.94 -1.149907882e-01 -1.355404218e-01 -9.636010333e-01 3.96 -8.940270527e-02 -1.054619343e-01 -8.078901080e-01 3.98 -4.007778630e-02 -5.032538505e-02 -4.466122297e-01 4.00 -3.534623941e-29 -3.411701562e-28 -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 0.000000000e+00 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