# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2007--Silva-A-C-Agren-J-Clavaguera-Mora-M-T-et-al--Al-Ni # implementation = 2007--Silva-A-C--Al-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 Al Al Al Ni Ni Ni 0.02 4.975659951e+02 1.017284922e+03 1.192811354e+03 0.04 4.734661677e+02 9.607463927e+02 1.123164104e+03 0.06 4.504710482e+02 9.072159145e+02 1.057435221e+03 0.08 4.285317592e+02 8.565384947e+02 9.954101045e+02 0.10 4.076015248e+02 8.085669049e+02 9.368856465e+02 0.12 3.876355823e+02 7.631613023e+02 8.816696230e+02 0.14 3.685910980e+02 7.201888691e+02 8.295801247e+02 0.16 3.504270862e+02 6.795234689e+02 7.804450146e+02 0.18 3.331043316e+02 6.410453194e+02 7.341014131e+02 0.20 3.165853147e+02 6.046406806e+02 6.903952111e+02 0.22 3.008341406e+02 5.702015588e+02 6.491806071e+02 0.24 2.858164704e+02 5.376254234e+02 6.103196690e+02 0.26 2.714994556e+02 5.068149383e+02 5.736819180e+02 0.28 2.578516748e+02 4.776777055e+02 5.391439342e+02 0.30 2.448430740e+02 4.501260216e+02 5.065889833e+02 0.32 2.324449081e+02 4.240766456e+02 4.759066620e+02 0.34 2.206296856e+02 3.994505781e+02 4.469925618e+02 0.36 2.093711156e+02 3.761728508e+02 4.197479509e+02 0.38 1.986440565e+02 3.541723267e+02 3.940794720e+02 0.40 1.884244672e+02 3.333815094e+02 3.698988563e+02 0.42 1.786893602e+02 3.137363623e+02 3.471226525e+02 0.44 1.694167570e+02 2.951761358e+02 3.256719694e+02 0.46 1.605856445e+02 2.776432031e+02 3.054722323e+02 0.48 1.521759341e+02 2.610829047e+02 2.864529525e+02 0.50 1.441684221e+02 2.454433994e+02 2.685475082e+02 0.52 1.365447517e+02 2.306755231e+02 2.516929375e+02 0.54 1.292873767e+02 2.167326547e+02 2.358297418e+02 0.56 1.223795268e+02 2.035705881e+02 2.209016998e+02 0.58 1.158051743e+02 1.911474105e+02 2.068556909e+02 0.60 1.095490017e+02 1.794233871e+02 1.936415290e+02 0.62 1.035963717e+02 1.683608510e+02 1.812118035e+02 0.64 9.793329765e+01 1.579240988e+02 1.695217297e+02 0.66 9.254641511e+01 1.480792910e+02 1.585290070e+02 0.68 8.742295541e+01 1.387943575e+02 1.481936844e+02 0.70 8.255071964e+01 1.300389082e+02 1.384780332e+02 0.72 7.791805400e+01 1.217841469e+02 1.293464264e+02 0.74 7.351382612e+01 1.140027908e+02 1.207652244e+02 0.76 6.932740243e+01 1.066689929e+02 1.127026672e+02 0.78 6.534862644e+01 9.975826890e+01 1.051287719e+02 0.80 6.156779801e+01 9.324742726e+01 9.801523575e+01 0.82 5.797565340e+01 8.711450331e+01 9.133534455e+01 0.84 5.456334624e+01 8.133869606e+01 8.506388561e+01 0.86 5.132242928e+01 7.590030852e+01 7.917706567e+01 0.88 4.824483692e+01 7.078069086e+01 7.365243311e+01 0.90 4.532286851e+01 6.596218650e+01 6.846880428e+01 0.92 4.254917229e+01 6.142808077e+01 6.360619379e+01 0.94 3.991673010e+01 5.716255228e+01 5.904574855e+01 0.96 3.741884268e+01 5.315062662e+01 5.476968541e+01 0.98 3.504911564e+01 4.937813250e+01 5.076123206e+01 1.00 3.280144599e+01 4.583166003e+01 4.700457120e+01 1.02 3.067000930e+01 4.249852105e+01 4.348478764e+01 1.04 2.864924733e+01 3.936671161e+01 4.018781833e+01 1.06 2.673385629e+01 3.642487619e+01 3.710040502e+01 1.08 2.491877551e+01 3.366227389e+01 3.421004959e+01 1.10 2.319917670e+01 3.106874618e+01 3.150497168e+01 1.12 2.157045353e+01 2.863468640e+01 2.897406866e+01 1.14 2.002821185e+01 2.635101074e+01 2.660687783e+01 1.16 1.856826013e+01 2.420913075e+01 2.439354062e+01 1.18 1.718660052e+01 2.220092725e+01 2.232476874e+01 1.20 1.587942012e+01 2.031872549e+01 2.039181222e+01 1.22 1.464308278e+01 1.855527170e+01 1.858642913e+01 1.24 1.347412112e+01 1.690371072e+01 1.690085701e+01 1.26 1.236922907e+01 1.535756493e+01 1.532778587e+01 1.28 1.132525456e+01 1.391071412e+01 1.386033261e+01 1.30 1.033919269e+01 1.255737647e+01 1.249201693e+01 1.32 9.408179063e+00 1.129209053e+01 1.121673847e+01 1.34 8.529483549e+00 1.010969810e+01 1.002875528e+01 1.36 7.700504203e+00 9.005328088e+00 8.922663463e+00 1.38 6.918761521e+00 7.974381071e+00 7.893377943e+00 1.40 6.181892918e+00 7.012514807e+00 6.936114257e+00 1.42 5.487647453e+00 6.115630424e+00 6.046371407e+00 1.44 4.833880779e+00 5.279859351e+00 5.219915641e+00 1.46 4.218550315e+00 4.501550925e+00 4.452765144e+00 1.48 3.639710614e+00 3.777260625e+00 3.741175566e+00 1.50 3.095508935e+00 3.103738909e+00 3.081626365e+00 1.52 2.584181000e+00 2.477920623e+00 2.470807913e+00 1.54 2.104046940e+00 1.896914943e+00 1.905609326e+00 1.56 1.653507402e+00 1.357995829e+00 1.383106971e+00 1.58 1.231039826e+00 8.585929527e-01 9.005536097e-01 1.60 8.351948863e-01 3.962831067e-01 4.553681658e-01 1.62 4.645930844e-01 -3.121795129e-02 4.512605966e-02 1.64 1.179214900e-01 -4.260632164e-01 -3.324499043e-01 1.66 -2.060693732e-01 -7.902817501e-01 -6.794981419e-01 1.68 -5.085685041e-01 -1.125785595e+00 -9.980264033e-01 1.70 -7.907072656e-01 -1.434376304e+00 -1.289919422e+00 1.72 -1.053562096e+00 -1.717751113e+00 -1.556946126e+00 1.74 -1.298157095e+00 -1.977508751e+00 -1.800766434e+00 1.76 -1.525466492e+00 -2.215154939e+00 -2.022937664e+00 1.78 -1.736416999e+00 -2.432107564e+00 -2.224920573e+00 1.80 -1.931890048e+00 -2.629701558e+00 -2.408085044e+00 1.82 -2.112723927e+00 -2.809193506e+00 -2.573715457e+00 1.84 -2.279715808e+00 -2.971765988e+00 -2.723015744e+00 1.86 -2.433623687e+00 -3.118531680e+00 -2.857114176e+00 1.88 -2.575168224e+00 -3.250537237e+00 -2.977067876e+00 1.90 -2.705034498e+00 -3.368766949e+00 -3.083867089e+00 1.92 -2.823873672e+00 -3.474146211e+00 -3.178439219e+00 1.94 -2.932304590e+00 -3.567544803e+00 -3.261652649e+00 1.96 -3.030915288e+00 -3.649780001e+00 -3.334320363e+00 1.98 -3.120264441e+00 -3.721619523e+00 -3.397203358e+00 2.00 -3.200882735e+00 -3.783784322e+00 -3.451013876e+00 2.02 -3.273274180e+00 -3.836951237e+00 -3.496418444e+00 2.04 -3.337917361e+00 -3.881755502e+00 -3.534040739e+00 2.06 -3.395266632e+00 -3.918793135e+00 -3.564464279e+00 2.08 -3.445753256e+00 -3.948623198e+00 -3.588234935e+00 2.10 -3.489786487e+00 -3.971769935e+00 -3.605863293e+00 2.12 -3.527754616e+00 -3.988724807e+00 -3.617826839e+00 2.14 -3.560025955e+00 -3.999948415e+00 -3.624572014e+00 2.16 -3.586949789e+00 -4.005872321e+00 -3.626516112e+00 2.18 -3.608857280e+00 -4.006900771e+00 -3.624049053e+00 2.20 -3.626062332e+00 -4.003412323e+00 -3.617535035e+00 2.22 -3.638862415e+00 -3.995761387e+00 -3.607314070e+00 2.24 -3.647539358e+00 -3.984279678e+00 -3.593703427e+00 2.26 -3.652360103e+00 -3.969277584e+00 -3.576998975e+00 2.28 -3.653577425e+00 -3.951045462e+00 -3.557476451e+00 2.30 -3.651430623e+00 -3.929854852e+00 -3.535392655e+00 2.32 -3.646146177e+00 -3.905959625e+00 -3.510986574e+00 2.34 -3.637938375e+00 -3.879597056e+00 -3.484480453e+00 2.36 -3.627009920e+00 -3.850988848e+00 -3.456080804e+00 2.38 -3.613552494e+00 -3.820342075e+00 -3.425979376e+00 2.40 -3.597747314e+00 -3.787850081e+00 -3.394354066e+00 2.42 -3.579765648e+00 -3.753693322e+00 -3.361369793e+00 2.44 -3.559769318e+00 -3.718040155e+00 -3.327179329e+00 2.46 -3.537911170e+00 -3.681047581e+00 -3.291924086e+00 2.48 -3.514335532e+00 -3.642861938e+00 -3.255734867e+00 2.50 -3.489178643e+00 -3.603619557e+00 -3.218732572e+00 2.52 -3.462569063e+00 -3.563447378e+00 -3.181028875e+00 2.54 -3.434628069e+00 -3.522463523e+00 -3.142726854e+00 2.56 -3.405470026e+00 -3.480777840e+00 -3.103921590e+00 2.58 -3.375202742e+00 -3.438492411e+00 -3.064700727e+00 2.60 -3.343927806e+00 -3.395702032e+00 -3.025145004e+00 2.62 -3.311740911e+00 -3.352494663e+00 -2.985328742e+00 2.64 -3.278732161e+00 -3.308951847e+00 -2.945320305e+00 2.66 -3.244986358e+00 -3.265149115e+00 -2.905182537e+00 2.68 -3.210583283e+00 -3.221156355e+00 -2.864973151e+00 2.70 -3.175597960e+00 -3.177038168e+00 -2.824745112e+00 2.72 -3.140100899e+00 -3.132854198e+00 -2.784546970e+00 2.74 -3.104158342e+00 -3.088659448e+00 -2.744423194e+00 2.76 -3.067832486e+00 -3.044504571e+00 -2.704414454e+00 2.78 -3.031181694e+00 -3.000436150e+00 -2.664557908e+00 2.80 -2.994260704e+00 -2.956496958e+00 -2.624887451e+00 2.82 -2.957120820e+00 -2.912726205e+00 -2.585433947e+00 2.84 -2.919810094e+00 -2.869159771e+00 -2.546225457e+00 2.86 -2.882373503e+00 -2.825830424e+00 -2.507287430e+00 2.88 -2.844853116e+00 -2.782768025e+00 -2.468642899e+00 2.90 -2.807288246e+00 -2.739999723e+00 -2.430312649e+00 2.92 -2.769715602e+00 -2.697550135e+00 -2.392315380e+00 2.94 -2.732169432e+00 -2.655441522e+00 -2.354667857e+00 2.96 -2.694681657e+00 -2.613693947e+00 -2.317385049e+00 2.98 -2.657281993e+00 -2.572325427e+00 -2.280480256e+00 3.00 -2.619998079e+00 -2.531352077e+00 -2.243965232e+00 3.02 -2.582855589e+00 -2.490788242e+00 -2.207850297e+00 3.04 -2.545878339e+00 -2.450646625e+00 -2.172144438e+00 3.06 -2.509088392e+00 -2.410938404e+00 -2.136855411e+00 3.08 -2.472506156e+00 -2.371673343e+00 -2.101989829e+00 3.10 -2.436150476e+00 -2.332859893e+00 -2.067553249e+00 3.12 -2.400038722e+00 -2.294505294e+00 -2.033550250e+00 3.14 -2.364186873e+00 -2.256615661e+00 -1.999984509e+00 3.16 -2.328609594e+00 -2.219196072e+00 -1.966858869e+00 3.18 -2.293320316e+00 -2.182250649e+00 -1.934175403e+00 3.20 -2.258331301e+00 -2.145782626e+00 -1.901935479e+00 3.22 -2.223653713e+00 -2.109794426e+00 -1.870139813e+00 3.24 -2.189297682e+00 -2.074287721e+00 -1.838788523e+00 3.26 -2.155272363e+00 -2.039263494e+00 -1.807881180e+00 3.28 -2.121585992e+00 -2.004722094e+00 -1.777416854e+00 3.30 -2.088245946e+00 -1.970663291e+00 -1.747394157e+00 3.32 -2.055258788e+00 -1.937086322e+00 -1.717811281e+00 3.34 -2.022630320e+00 -1.903989939e+00 -1.688666043e+00 3.36 -1.990365626e+00 -1.871372448e+00 -1.659955911e+00 3.38 -1.958469120e+00 -1.839231753e+00 -1.631678045e+00 3.40 -1.926944584e+00 -1.807565389e+00 -1.603829321e+00 3.42 -1.895795207e+00 -1.776370555e+00 -1.576406364e+00 3.44 -1.865023624e+00 -1.745644150e+00 -1.549405571e+00 3.46 -1.834631952e+00 -1.715382797e+00 -1.522823139e+00 3.48 -1.804621819e+00 -1.685582873e+00 -1.496655083e+00 3.50 -1.774994401e+00 -1.656240536e+00 -1.470897262e+00 3.52 -1.745750448e+00 -1.627351741e+00 -1.445545393e+00 3.54 -1.716890312e+00 -1.598912271e+00 -1.420595075e+00 3.56 -1.688413975e+00 -1.570917748e+00 -1.396041800e+00 3.58 -1.660321076e+00 -1.543363657e+00 -1.371880972e+00 3.60 -1.632610931e+00 -1.516245363e+00 -1.348107916e+00 3.62 -1.605282558e+00 -1.489558123e+00 -1.324717899e+00 3.64 -1.578334696e+00 -1.463297102e+00 -1.301706133e+00 3.66 -1.551765829e+00 -1.437457387e+00 -1.279067792e+00 3.68 -1.525574200e+00 -1.412034001e+00 -1.256798020e+00 3.70 -1.499757833e+00 -1.387021910e+00 -1.234891938e+00 3.72 -1.474314548e+00 -1.362416036e+00 -1.213344655e+00 3.74 -1.449241977e+00 -1.338211267e+00 -1.192151275e+00 3.76 -1.424537579e+00 -1.314402464e+00 -1.171306900e+00 3.78 -1.400198655e+00 -1.290984472e+00 -1.150806645e+00 3.80 -1.376222359e+00 -1.267952122e+00 -1.130645633e+00 3.82 -1.352605714e+00 -1.245300244e+00 -1.110819007e+00 3.84 -1.329345622e+00 -1.223023670e+00 -1.091321933e+00 3.86 -1.306438873e+00 -1.201117239e+00 -1.072149604e+00 3.88 -1.283882161e+00 -1.179575804e+00 -1.053297242e+00 3.90 -1.261672089e+00 -1.158394234e+00 -1.034760103e+00 3.92 -1.239805179e+00 -1.137567422e+00 -1.016533481e+00 3.94 -1.218277882e+00 -1.117090286e+00 -9.986127088e-01 3.96 -1.197086586e+00 -1.096957775e+00 -9.809931593e-01 3.98 -1.176227624e+00 -1.077164867e+00 -9.636702505e-01 4.00 -1.155697279e+00 -1.057706580e+00 -9.466394453e-01 4.02 -1.135491793e+00 -1.038577966e+00 -9.298962534e-01 4.04 -1.115607374e+00 -1.019774120e+00 -9.134362330e-01 4.06 -1.096040198e+00 -1.001290177e+00 -8.972549914e-01 4.08 -1.076786419e+00 -9.831213191e-01 -8.813481865e-01 4.10 -1.057842172e+00 -9.652627717e-01 -8.657115271e-01 4.12 -1.039203577e+00 -9.477098084e-01 -8.503407739e-01 4.14 -1.020866746e+00 -9.304577511e-01 -8.352317400e-01 4.16 -1.002827784e+00 -9.135019714e-01 -8.203802911e-01 4.18 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