# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1987--Ackland-G-J-Tichy-G-Vitek-V-Finnis-M-W--Ni # implementation = 1987--Ackland-G-J--Ni--LAMMPS--ipr2 # composition = Ni # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 3.515938351e+03 nan 0.62 nan nan nan nan nan nan nan nan 3.072238011e+03 nan 0.64 nan nan nan nan nan 2.376699104e+03 nan nan 2.692007706e+03 nan 0.66 nan nan nan nan nan 2.086716788e+03 nan nan 2.364717770e+03 nan 0.68 nan nan nan nan nan 1.834941553e+03 nan nan 2.082059142e+03 nan 0.70 nan nan nan nan nan 1.615910218e+03 nan nan 1.836248924e+03 nan 0.72 nan nan nan 3.779802065e+03 3.779740425e+03 1.425282127e+03 nan nan 1.622029372e+03 2.407034085e+03 0.74 nan 2.055873238e+03 nan 3.368403699e+03 3.368339396e+03 1.259319502e+03 nan nan 1.435159021e+03 2.140416496e+03 0.76 nan 1.829014861e+03 nan 3.007672593e+03 3.007616272e+03 1.114749182e+03 1.912111700e+03 nan 1.271864514e+03 1.905818697e+03 0.78 nan 1.631004590e+03 nan 2.690668753e+03 2.690685740e+03 9.887023131e+02 1.705243216e+03 nan 1.128812339e+03 1.699126915e+03 0.80 nan 1.457786364e+03 nan 2.411518341e+03 2.411597287e+03 8.787061647e+02 1.523439809e+03 nan 1.003317765e+03 1.516857675e+03 0.82 nan 1.305893956e+03 nan 2.165238630e+03 2.165356751e+03 7.825377571e+02 1.362956587e+03 1.986792706e+03 8.930745836e+02 1.355854531e+03 0.84 1.947455166e+03 1.171675882e+03 1.721087558e+03 1.947624178e+03 1.947764479e+03 6.983397684e+02 1.220745743e+03 1.786075431e+03 7.957030252e+02 1.213456044e+03 0.86 1.754821852e+03 1.052505693e+03 1.551154450e+03 1.754974269e+03 1.755100755e+03 6.245078405e+02 1.094628169e+03 1.608606374e+03 7.095091518e+02 1.087345421e+03 0.88 1.584062270e+03 9.464988813e+02 1.400404618e+03 1.584163654e+03 1.584247647e+03 5.596347571e+02 9.827087047e+02 1.451372697e+03 6.331665454e+02 9.755297741e+02 0.90 1.432462883e+03 8.519540196e+02 1.265705575e+03 1.432508362e+03 1.432544072e+03 5.024308626e+02 8.832235105e+02 1.311833076e+03 5.655439714e+02 8.762680990e+02 0.92 1.297503260e+03 7.668642943e+02 1.145197382e+03 1.297513510e+03 1.297529375e+03 4.518924574e+02 7.946638929e+02 1.187683078e+03 5.056367250e+02 7.879810156e+02 0.94 1.177124439e+03 6.900461231e+02 1.037302222e+03 1.177112245e+03 1.177124547e+03 4.072089022e+02 7.157071102e+02 1.077005745e+03 4.525386160e+02 7.093880863e+02 0.96 1.069561759e+03 6.207343086e+02 9.406118200e+02 1.069548083e+03 1.069554104e+03 3.676671236e+02 6.450891263e+02 9.782017839e+02 4.054943934e+02 6.393911239e+02 0.98 9.733306330e+02 5.582383717e+02 8.538571457e+02 9.733161161e+02 9.733081072e+02 3.326321778e+02 5.816507056e+02 8.897343130e+02 3.637936178e+02 5.770376266e+02 1.00 8.871222004e+02 5.018842583e+02 7.758839930e+02 8.871043638e+02 8.870787244e+02 3.015230046e+02 5.246364100e+02 8.095857283e+02 3.267932808e+02 5.214936730e+02 1.02 8.089485445e+02 4.509674255e+02 7.051737766e+02 8.089420760e+02 8.089140894e+02 2.735415366e+02 4.731767995e+02 7.365384737e+02 2.937351046e+02 4.715961370e+02 1.04 7.372876301e+02 4.049095574e+02 6.405303456e+02 7.372972721e+02 7.372916036e+02 2.480837991e+02 4.265575630e+02 6.697037054e+02 2.639967380e+02 4.263696927e+02 1.06 6.716173869e+02 3.632746153e+02 5.814107624e+02 6.716353880e+02 6.716614713e+02 2.248885445e+02 3.843754188e+02 6.085470208e+02 2.372172558e+02 3.853756894e+02 1.08 6.114333346e+02 3.256395213e+02 5.272983096e+02 6.114530612e+02 6.115043364e+02 2.037124679e+02 3.462297827e+02 5.525792292e+02 2.130916007e+02 3.482343552e+02 1.10 5.562594482e+02 2.916120029e+02 4.778180768e+02 5.563033562e+02 5.563796104e+02 1.843927557e+02 3.117531242e+02 5.013723776e+02 1.913312201e+02 3.145936314e+02 1.12 5.056891460e+02 2.608751830e+02 4.326208399e+02 5.057782564e+02 5.058774810e+02 1.667920155e+02 2.806083434e+02 4.545294453e+02 1.716953346e+02 2.841402421e+02 1.14 4.593292779e+02 2.331402492e+02 3.913308062e+02 4.594708310e+02 4.595863131e+02 1.507634018e+02 2.524697487e+02 4.117194005e+02 1.539556669e+02 2.565740002e+02 1.16 4.168892512e+02 2.081735627e+02 3.536240054e+02 4.170596494e+02 4.171780952e+02 1.361661485e+02 2.270572717e+02 3.726308771e+02 1.379311572e+02 2.316156208e+02 1.18 3.780643603e+02 1.857493441e+02 3.192662713e+02 3.782295841e+02 3.783442909e+02 1.228961338e+02 2.041292678e+02 3.369740180e+02 1.234744553e+02 2.089759237e+02 1.20 3.425958274e+02 1.656306198e+02 2.880175318e+02 3.427197806e+02 3.428219708e+02 1.108342648e+02 1.834548017e+02 3.045042705e+02 1.104467263e+02 1.884182763e+02 1.22 3.102319393e+02 1.475962304e+02 2.596649854e+02 3.102985837e+02 3.103769512e+02 9.988168108e+01 1.648165285e+02 2.749629725e+02 9.871071389e+01 1.697448772e+02 1.24 2.807317750e+02 1.314444966e+02 2.339985406e+02 2.807367887e+02 2.807802688e+02 8.993941292e+01 1.480113431e+02 2.481075131e+02 8.813899295e+01 1.527850825e+02 1.26 2.538570849e+02 1.169838990e+02 2.107705925e+02 2.538098123e+02 2.538115238e+02 8.089988487e+01 1.328425341e+02 2.237186912e+02 7.861051239e+01 1.373862875e+02 1.28 2.293940832e+02 1.040367979e+02 1.897505130e+02 2.293071332e+02 2.292642979e+02 7.268487192e+01 1.191329987e+02 2.015930635e+02 7.002890954e+01 1.234159008e+02 1.30 2.071421185e+02 9.243986388e+01 1.707302324e+02 2.070302426e+02 2.069471728e+02 6.522182001e+01 1.067361223e+02 1.815318796e+02 6.230929862e+01 1.107494420e+02 1.32 1.869105793e+02 8.205239762e+01 1.535243747e+02 1.867946873e+02 1.866829681e+02 5.844512618e+01 9.552140428e+01 1.633584140e+02 5.537877597e+01 9.926748000e+01 1.34 1.685440172e+02 7.275584473e+01 1.379703130e+02 1.684407224e+02 1.683160360e+02 5.229494677e+01 8.537495519e+01 1.469206222e+02 4.916596551e+01 8.887636532e+01 1.36 1.518968901e+02 6.444517962e+01 1.239218427e+02 1.518124947e+02 1.516930483e+02 4.671907075e+01 7.619599771e+01 1.320661624e+02 4.358912622e+01 7.949070951e+01 1.38 1.368197128e+02 5.702647244e+01 1.112433655e+02 1.367608165e+02 1.366640316e+02 4.166930483e+01 6.789416591e+01 1.186455535e+02 3.858050233e+01 7.102064873e+01 1.40 1.231776960e+02 5.040985002e+01 9.981194305e+01 1.231449893e+02 1.230803266e+02 3.710386492e+01 6.037861253e+01 1.065212633e+02 3.408705968e+01 6.339085618e+01 1.42 1.108489961e+02 4.450418854e+01 8.951639534e+01 1.108356115e+02 1.108048987e+02 3.298692150e+01 5.358645069e+01 9.556801827e+01 3.006110548e+01 5.653777831e+01 1.44 9.969422528e+01 3.922593482e+01 8.024354767e+01 9.969470468e+01 9.969732481e+01 2.928010079e+01 4.746589582e+01 8.565976557e+01 2.645752480e+01 5.036853592e+01 1.46 8.957676688e+01 3.450226013e+01 7.187790947e+01 8.959581976e+01 8.963249603e+01 2.594234198e+01 4.196671675e+01 7.668792534e+01 2.323149001e+01 4.480393021e+01 1.48 8.039257953e+01 3.027698067e+01 6.432268678e+01 8.043918934e+01 8.050868510e+01 2.293905683e+01 3.703862287e+01 6.856881907e+01 2.034288267e+01 3.979019133e+01 1.50 7.206184939e+01 2.650263244e+01 5.749123907e+01 7.213848126e+01 7.223488529e+01 2.023874045e+01 3.262947852e+01 6.123225878e+01 1.775500697e+01 3.528080887e+01 1.52 6.451626376e+01 2.313525751e+01 5.130113380e+01 6.461551524e+01 6.472818583e+01 1.780851083e+01 2.868755876e+01 5.461435290e+01 1.543530610e+01 3.123088549e+01 1.54 5.769074285e+01 2.013083316e+01 4.567845093e+01 5.780246906e+01 5.792022587e+01 1.561114052e+01 2.516585340e+01 4.865513030e+01 1.335711777e+01 2.759356263e+01 1.56 5.152634070e+01 1.745141643e+01 4.056928892e+01 5.163994095e+01 5.175265681e+01 1.362043797e+01 2.202359294e+01 4.329825849e+01 1.149757363e+01 2.432634585e+01 1.58 4.596987441e+01 1.506400433e+01 3.593514842e+01 4.607515091e+01 4.617351546e+01 1.181933558e+01 1.922412296e+01 3.848559745e+01 9.836587832e+00 2.139082507e+01 1.60 4.097282142e+01 1.293549025e+01 3.174346399e+01 4.105824334e+01 4.113382543e+01 1.019308041e+01 1.673299183e+01 3.416202792e+01 8.353602474e+00 1.875162618e+01 1.62 3.648637822e+01 1.103222645e+01 2.796406820e+01 3.654036966e+01 3.658674426e+01 8.728337645e+00 1.451440193e+01 3.027141682e+01 7.027141787e+00 1.637910394e+01 1.64 3.244836384e+01 9.326847463e+00 2.456962092e+01 3.246693452e+01 3.248219171e+01 7.413091905e+00 1.253713518e+01 2.676169969e+01 5.836954559e+00 1.424665926e+01 1.66 2.880178269e+01 7.787756710e+00 2.153464310e+01 2.878858000e+01 2.877560867e+01 6.236547523e+00 1.077756793e+01 2.358950052e+01 4.764552625e+00 1.232962651e+01 1.68 2.550151847e+01 6.396543484e+00 1.882728882e+01 2.546306481e+01 2.542674901e+01 5.187942253e+00 9.211725130e+00 2.072049757e+01 3.796747420e+00 1.060537383e+01 1.70 2.251090862e+01 5.141137774e+00 1.641353047e+01 2.245445252e+01 2.239990352e+01 4.254754963e+00 7.815133020e+00 1.812757514e+01 2.923860751e+00 9.054513561e+00 1.72 1.980007865e+01 4.011297454e+00 1.425914932e+01 1.973212501e+01 1.966493100e+01 3.422654302e+00 6.564854807e+00 1.578549645e+01 2.138401061e+00 7.660455282e+00 1.74 1.734191363e+01 2.997262116e+00 1.233126978e+01 1.726815017e+01 1.719450120e+01 2.678182633e+00 5.442651606e+00 1.366973872e+01 1.433694710e+00 6.407823954e+00 1.76 1.511219569e+01 2.090656923e+00 1.059581694e+01 1.503848121e+01 1.496476689e+01 2.010902975e+00 4.432747934e+00 1.176097907e+01 8.029199651e-01 5.279650580e+00 1.78 1.309119964e+01 1.284785638e+00 9.030744741e+00 1.302318890e+01 1.295517816e+01 1.411469104e+00 3.520831586e+00 1.004406284e+01 2.386022518e-01 4.259913682e+00 1.80 1.126369866e+01 5.710834784e-01 7.619909361e+00 1.120621463e+01 1.114873061e+01 8.730600428e-01 2.695741503e+00 8.504947127e+00 -2.660411769e-01 3.339345325e+00 1.82 9.617118224e+00 -6.476132254e-02 6.350197265e+00 9.572680915e+00 9.528243606e+00 3.912424171e-01 1.948993757e+00 7.130314713e+00 -7.157838765e-01 2.511603296e+00 1.84 8.140516792e+00 -6.279911196e-01 5.209715418e+00 8.109491476e+00 8.078466160e+00 -3.778434372e-02 1.273471594e+00 5.904977183e+00 -1.115004941e+00 1.771192192e+00 1.86 6.821863257e+00 -1.123070892e+00 4.186921650e+00 6.803560231e+00 6.785257204e+00 -4.180068543e-01 6.628044590e-01 4.813597099e+00 -1.468665518e+00 1.112528337e+00 1.88 5.647429346e+00 -1.555766568e+00 3.270022499e+00 5.640560040e+00 5.633690734e+00 -7.541548106e-01 1.107503103e-01 3.842842804e+00 -1.780728986e+00 5.297137003e-01 1.90 4.604577970e+00 -1.933037329e+00 2.448566374e+00 4.607280368e+00 4.609982767e+00 -1.050098230e+00 -3.884451888e-01 2.980741795e+00 -2.054489367e+00 1.742611890e-02 1.92 3.679626481e+00 -2.260881818e+00 1.713439561e+00 3.690054022e+00 3.700481563e+00 -1.308816036e+00 -8.401233419e-01 2.215184784e+00 -2.293134995e+00 -4.314580951e-01 1.94 2.855922763e+00 -2.545559726e+00 1.056261722e+00 2.873303117e+00 2.890683470e+00 -1.532938259e+00 -1.246282630e+00 1.533547423e+00 -2.500042983e+00 -8.278140475e-01 1.96 2.119791197e+00 -2.792599336e+00 4.692991208e-01 2.143904349e+00 2.168017501e+00 -1.725091033e+00 -1.610219415e+00 9.193000573e-01 -2.678990785e+00 -1.180303750e+00 1.98 1.461984031e+00 -3.006192249e+00 -5.534156063e-02 1.492137626e+00 1.522291221e+00 -1.889289795e+00 -1.937096728e+00 3.599041906e-01 -2.833178361e+00 -1.494329196e+00 2.00 8.744290591e-01 -3.190260393e+00 -5.254299944e-01 9.093152210e-01 9.442013828e-01 -2.029897246e+00 -2.231464873e+00 -1.485149395e-01 -2.965416995e+00 -1.774658317e+00 2.02 3.400412655e-01 -3.349841970e+00 -9.547318821e-01 3.777370900e-01 4.154329145e-01 -2.154286576e+00 -2.498675251e+00 -6.128246398e-01 -3.080707612e+00 -2.030572880e+00 2.04 -1.547797206e-01 -3.489526380e+00 -1.354210977e+00 -1.167266622e-01 -7.867360377e-02 -2.268238436e+00 -2.742201148e+00 -1.038720350e+00 -3.182768976e+00 -2.269619961e+00 2.06 -6.122014422e-01 -3.612183502e+00 -1.724888011e+00 -5.761989160e-01 -5.401963898e-01 -2.372413676e+00 -2.963326525e+00 -1.428043417e+00 -3.271991672e+00 -2.493464849e+00 2.08 -1.033597198e+00 -3.720104518e+00 -2.066672892e+00 -1.001736362e+00 -9.698755260e-01 -2.466902312e+00 -3.163669199e+00 -1.782733560e+00 -3.348548232e+00 -2.702212913e+00 2.10 -1.420003313e+00 -3.814816042e+00 -2.379444448e+00 -1.394056153e+00 -1.368108993e+00 -2.551764605e+00 -3.343691732e+00 -2.105695460e+00 -3.412534264e+00 -2.895324272e+00 2.12 -1.772441676e+00 -3.896915100e+00 -2.663058122e+00 -1.753860093e+00 -1.735278510e+00 -2.627033497e+00 -3.503493849e+00 -2.399570049e+00 -3.464044252e+00 -3.072258544e+00 2.14 -2.092513608e+00 -3.967219230e+00 -2.917741742e+00 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