# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--Na # implementation = 2016--Nichol-A--Na--LAMMPS--ipr2 # composition = Na # 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 nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 5.603866727e+02 nan 0.74 nan nan nan nan nan nan nan nan 5.022322911e+02 nan 0.76 nan nan nan nan nan 3.952136597e+02 nan nan 4.511029600e+02 nan 0.78 nan nan nan nan nan 3.560015011e+02 nan nan 4.059167602e+02 nan 0.80 nan nan nan nan nan 3.212328260e+02 nan nan 3.658599522e+02 nan 0.82 nan nan nan nan nan 2.902901103e+02 nan nan 3.302758981e+02 nan 0.84 nan nan nan nan nan 2.627605742e+02 nan nan 2.986479105e+02 nan 0.86 nan nan nan nan nan 2.383012473e+02 nan nan 2.705222972e+02 nan 0.88 nan nan nan 5.626762384e+02 5.626389163e+02 2.164853183e+02 nan nan 2.454835052e+02 3.605728324e+02 0.90 nan 3.195426161e+02 nan 5.137122704e+02 5.136830468e+02 1.969323012e+02 3.307522711e+02 nan 2.231280631e+02 3.282820630e+02 0.92 nan 2.911014721e+02 nan 4.696561614e+02 4.696660667e+02 1.793612986e+02 3.015443024e+02 nan 2.030896240e+02 2.992509023e+02 0.94 nan 2.655149630e+02 nan 4.299265920e+02 4.299739249e+02 1.635069872e+02 2.752085137e+02 nan 1.850795561e+02 2.731739842e+02 0.96 nan 2.424702109e+02 nan 3.940293980e+02 3.940829658e+02 1.492549574e+02 2.514371239e+02 nan 1.688509491e+02 2.497533720e+02 0.98 nan 2.216583181e+02 nan 3.615566843e+02 3.615857482e+02 1.364343637e+02 2.299908054e+02 3.329773828e+02 1.541946468e+02 2.286946538e+02 1.00 3.321447507e+02 2.028610216e+02 2.946185015e+02 3.321082582e+02 3.321042450e+02 1.248837755e+02 2.106621816e+02 3.057736822e+02 1.409471862e+02 2.097021346e+02 1.02 3.055278535e+02 1.858678512e+02 2.708042001e+02 3.053920117e+02 3.053542521e+02 1.144533333e+02 1.932503398e+02 2.810654236e+02 1.289628497e+02 1.925015755e+02 1.04 2.812918846e+02 1.704817910e+02 2.491420779e+02 2.811387881e+02 2.810895037e+02 1.049763051e+02 1.775136613e+02 2.585681866e+02 1.181122439e+02 1.768526647e+02 1.06 2.591775232e+02 1.565102603e+02 2.293708508e+02 2.590923182e+02 2.590566121e+02 9.630771440e+01 1.632226955e+02 2.380555728e+02 1.082774305e+02 1.625918528e+02 1.08 2.389742461e+02 1.438168986e+02 2.113070640e+02 2.390015561e+02 2.390010205e+02 8.837377757e+01 1.501943732e+02 2.193615694e+02 9.935110158e+01 1.495527080e+02 1.10 2.205319107e+02 1.322797126e+02 1.947849334e+02 2.206486103e+02 2.206859754e+02 8.112572859e+01 1.382908222e+02 2.023251474e+02 9.124498181e+01 1.376800438e+02 1.12 2.036974512e+02 1.217904882e+02 1.796834582e+02 2.038520986e+02 2.039150338e+02 7.453601754e+01 1.274129935e+02 1.867862863e+02 8.388261808e+01 1.268732761e+02 1.14 1.883465534e+02 1.122478094e+02 1.659217030e+02 1.884802117e+02 1.885482170e+02 6.857120727e+01 1.174708296e+02 1.726263091e+02 7.718443108e+01 1.170237661e+02 1.16 1.743501371e+02 1.035294823e+02 1.534046011e+02 1.744152827e+02 1.744643619e+02 6.319442511e+01 1.083772416e+02 1.597124299e+02 7.107468476e+01 1.080432624e+02 1.18 1.615305137e+02 9.554392321e+01 1.420059161e+02 1.615228823e+02 1.615466769e+02 5.833293813e+01 1.000698706e+02 1.478913881e+02 6.548103992e+01 9.981481081e+01 1.20 1.497787824e+02 8.823669084e+01 1.315936004e+02 1.497144027e+02 1.497080230e+02 5.390605114e+01 9.246835004e+01 1.370577954e+02 6.034542618e+01 9.229525364e+01 1.22 1.389873807e+02 8.155568568e+01 1.220608296e+02 1.388873401e+02 1.388509856e+02 4.985407206e+01 8.551782309e+01 1.271047844e+02 5.563698974e+01 8.541161574e+01 1.24 1.290584926e+02 7.544180197e+01 1.133035170e+02 1.289425744e+02 1.288827850e+02 4.612765706e+01 7.916660595e+01 1.179412202e+02 5.132426908e+01 7.908016028e+01 1.26 1.199026466e+02 6.983177899e+01 1.052323609e+02 1.197941129e+02 1.197254445e+02 4.268903070e+01 7.332827409e+01 1.094886419e+02 4.738102143e+01 7.323333106e+01 1.28 1.114454703e+02 6.467878856e+01 9.777482495e+01 1.113719866e+02 1.113109785e+02 3.950951209e+01 6.795964947e+01 1.016782473e+02 4.377305048e+01 6.782127236e+01 1.30 1.036392716e+02 5.993789450e+01 9.088658841e+01 1.036164977e+02 1.035761640e+02 3.657331311e+01 6.300200473e+01 9.447714339e+01 4.046694579e+01 6.282046848e+01 1.32 9.641550613e+01 5.555531087e+01 8.451327262e+01 9.645241989e+01 9.644484776e+01 3.386915072e+01 5.841083753e+01 8.783458467e+01 3.742988861e+01 5.821306878e+01 1.34 8.974163255e+01 5.150822769e+01 7.861732676e+01 8.983242227e+01 8.985794861e+01 3.138131333e+01 5.416181488e+01 8.171441845e+01 3.463310007e+01 5.399873510e+01 1.36 8.357501102e+01 4.777437596e+01 7.315887533e+01 8.370243324e+01 8.375551008e+01 2.909389046e+01 5.023488756e+01 7.607584973e+01 3.205003604e+01 5.014665792e+01 1.38 7.789473069e+01 4.433188150e+01 6.807601585e+01 7.801980026e+01 7.808363366e+01 2.697477352e+01 4.661803587e+01 7.088512827e+01 2.966880301e+01 4.662028954e+01 1.40 7.266911487e+01 4.114275518e+01 6.337034923e+01 7.276122543e+01 7.282639182e+01 2.502737338e+01 4.329483705e+01 6.610218854e+01 2.747525460e+01 4.337563621e+01 1.42 6.785369533e+01 3.818840982e+01 5.901998664e+01 6.789585011e+01 6.795468977e+01 2.323300982e+01 4.024027018e+01 6.168361815e+01 2.545568428e+01 4.037301618e+01 1.44 6.340475220e+01 3.545835205e+01 5.501413949e+01 6.339412704e+01 6.344034495e+01 2.158032405e+01 3.743128421e+01 5.759069629e+01 2.359696676e+01 3.758694506e+01 1.46 5.927396285e+01 3.292384518e+01 5.133660868e+01 5.922591638e+01 5.925583841e+01 2.006249960e+01 3.484235073e+01 5.377790864e+01 2.188167942e+01 3.499194240e+01 1.48 5.542713741e+01 3.058465201e+01 4.795559106e+01 5.536280183e+01 5.537395992e+01 1.866954650e+01 3.244387740e+01 5.023186312e+01 2.029964149e+01 3.257633595e+01 1.50 5.184612333e+01 2.842564410e+01 4.483089810e+01 5.177939357e+01 5.176949046e+01 1.738793954e+01 3.021276102e+01 4.691016517e+01 1.884073505e+01 3.033544336e+01 1.52 4.846389540e+01 2.642316362e+01 4.191984639e+01 4.841066426e+01 4.838527399e+01 1.620243639e+01 2.813023388e+01 4.380925166e+01 1.749392849e+01 2.823936277e+01 1.54 4.530319802e+01 2.456385545e+01 3.918688647e+01 4.527043416e+01 4.523174819e+01 1.509715858e+01 2.618189472e+01 4.092029789e+01 1.624923303e+01 2.628922053e+01 1.56 4.236010279e+01 2.283093587e+01 3.661583259e+01 4.234657622e+01 4.229776873e+01 1.406152213e+01 2.436277408e+01 3.823310682e+01 1.509863828e+01 2.447947199e+01 1.58 3.962357763e+01 2.121286945e+01 3.420089054e+01 3.962422754e+01 3.957137217e+01 1.308953458e+01 2.266937620e+01 3.573454139e+01 1.403482939e+01 2.280196219e+01 1.60 3.707341261e+01 1.970363055e+01 3.192682131e+01 3.708497363e+01 3.703656708e+01 1.216006209e+01 2.109154380e+01 3.340935304e+01 1.304420717e+01 2.124140675e+01 1.62 3.469760758e+01 1.830024020e+01 2.978844271e+01 3.471585187e+01 3.467881369e+01 1.126756716e+01 1.962886450e+01 3.124477820e+01 1.211211973e+01 1.979051850e+01 1.64 3.248595297e+01 1.699672004e+01 2.779814832e+01 3.250498751e+01 3.248349012e+01 1.043179727e+01 1.827499428e+01 2.922707254e+01 1.124263496e+01 1.844479569e+01 1.66 3.042803835e+01 1.578535641e+01 2.595526341e+01 3.044093635e+01 3.043534086e+01 9.655901171e+00 1.702254525e+01 2.734257425e+01 1.043163256e+01 1.720065345e+01 1.68 2.850822238e+01 1.465638335e+01 2.425017362e+01 2.851056407e+01 2.851861483e+01 8.938404566e+00 1.586409022e+01 2.557590028e+01 9.675063883e+00 1.605042056e+01 1.70 2.671099351e+01 1.360038834e+01 2.267008415e+01 2.670147146e+01 2.671944633e+01 8.276189629e+00 1.479036217e+01 2.391506258e+01 8.968969267e+00 1.498630878e+01 1.72 2.502064985e+01 1.261119478e+01 2.120266246e+01 2.500386998e+01 2.502867112e+01 7.666313227e+00 1.379460014e+01 2.235003924e+01 8.310373248e+00 1.399976231e+01 1.74 2.342358935e+01 1.168771795e+01 1.983586289e+01 2.340826348e+01 2.343788402e+01 7.105705866e+00 1.287144037e+01 2.087402221e+01 7.695247662e+00 1.308247066e+01 1.76 2.191322029e+01 1.083054121e+01 1.855810694e+01 2.190727402e+01 2.193983304e+01 6.591229912e+00 1.201368169e+01 1.948470200e+01 7.106955085e+00 1.222719606e+01 1.78 2.048704961e+01 1.003866479e+01 1.735773530e+01 2.049517536e+01 2.052897869e+01 6.117601586e+00 1.120887400e+01 1.818457306e+01 6.557926734e+00 1.142816770e+01 1.80 1.914571038e+01 9.311460850e+00 1.622704710e+01 1.916905723e+01 1.920271128e+01 5.678409014e+00 1.044095465e+01 1.697460170e+01 6.046814209e+00 1.068074407e+01 1.82 1.789013947e+01 8.647813905e+00 1.515977921e+01 1.792665204e+01 1.795895670e+01 5.267361058e+00 9.719676991e+00 1.585436778e+01 5.572503560e+00 9.980275336e+00 1.84 1.671956579e+01 8.043984863e+00 1.415134532e+01 1.676468699e+01 1.679403918e+01 4.879082465e+00 9.041453704e+00 1.481946396e+01 5.134188310e+00 9.317488041e+00 1.86 1.562706034e+01 7.493273499e+00 1.319715472e+01 1.567394519e+01 1.569788296e+01 4.508628906e+00 8.404067502e+00 1.386010813e+01 4.730848071e+00 8.668626533e+00 1.88 1.462285862e+01 6.987037731e+00 1.229799191e+01 1.466313860e+01 1.467905597e+01 4.154848627e+00 7.807057219e+00 1.297544552e+01 4.359561114e+00 8.054545195e+00 1.90 1.370034378e+01 6.516221156e+00 1.145636797e+01 1.372716354e+01 1.373325265e+01 3.818470458e+00 7.249739193e+00 1.215521068e+01 4.016525398e+00 7.474402524e+00 1.92 1.284921509e+01 6.073597324e+00 1.067478268e+01 1.285876840e+01 1.285450834e+01 3.500292717e+00 6.731124937e+00 1.138939766e+01 3.698418776e+00 6.927659663e+00 1.94 1.205935082e+01 5.653586209e+00 9.953431955e+00 1.205073861e+01 1.203662738e+01 3.201213079e+00 6.249991188e+00 1.067020559e+01 3.401686779e+00 6.413935468e+00 1.96 1.132088605e+01 5.252097410e+00 9.289867255e+00 1.129595329e+01 1.127317350e+01 2.922234773e+00 5.804684346e+00 9.991296544e+00 3.122733804e+00 5.932994150e+00 1.98 1.062482173e+01 4.867547896e+00 8.680982715e+00 1.058795295e+01 1.055828641e+01 2.664115006e+00 5.392161966e+00 9.348839038e+00 2.859127020e+00 5.484727269e+00 2.00 9.964198477e+00 4.499888968e+00 8.120284806e+00 9.920800327e+00 9.886439239e+00 2.425793418e+00 5.008259853e+00 8.741241490e+00 2.610425083e+00 5.068892228e+00 2.02 9.337010459e+00 4.149780613e+00 7.600356055e+00 9.291543835e+00 9.254591373e+00 2.205412956e+00 4.649444415e+00 8.165753712e+00 2.376799731e+00 4.684995331e+00 2.04 8.740211129e+00 3.818311484e+00 7.114364488e+00 8.696278192e+00 8.658951549e+00 2.001131938e+00 4.312488180e+00 7.619962643e+00 2.158478715e+00 4.330453613e+00 2.06 8.170735652e+00 3.506717329e+00 6.657525851e+00 8.131610029e+00 8.096531054e+00 1.811175904e+00 3.994536613e+00 7.103380283e+00 1.955582072e+00 4.000734865e+00 2.08 7.628840423e+00 3.216364383e+00 6.226668088e+00 7.597289273e+00 7.567252798e+00 1.634032318e+00 3.692226491e+00 6.615965931e+00 1.767889076e+00 3.693121871e+00 2.10 7.115018363e+00 2.948324580e+00 5.819479279e+00 7.092865226e+00 7.070396974e+00 1.468631033e+00 3.396314880e+00 6.157674781e+00 1.594948044e+00 3.405062901e+00 2.12 6.629855077e+00 2.703212978e+00 5.435917069e+00 6.617871346e+00 6.604622168e+00 1.315015417e+00 3.115747468e+00 5.727911177e+00 1.432318600e+00 3.134123723e+00 2.14 6.173143204e+00 2.465608827e+00 5.076579407e+00 6.171481097e+00 6.168301706e+00 1.173527549e+00 2.850896035e+00 5.325566762e+00 1.277384492e+00 2.878335568e+00 2.16 5.744250143e+00 2.249868563e+00 4.740946684e+00 5.752528374e+00 5.759421187e+00 1.043516575e+00 2.601766910e+00 4.949580875e+00 1.133511303e+00 2.636679448e+00 2.18 5.343308919e+00 2.055632843e+00 4.427087748e+00 5.360316601e+00 5.376289198e+00 9.231638490e-01 2.368051382e+00 4.598989569e+00 9.990283167e-01 2.410126889e+00 2.20 4.970668130e+00 1.880740078e+00 4.133508048e+00 4.994355070e+00 5.017431987e+00 8.116478320e-01 2.149550661e+00 4.272906144e+00 8.730899481e-01 2.200027107e+00 2.22 4.626567185e+00 1.722706456e+00 3.858658561e+00 4.654221928e+00 4.681618944e+00 7.081987086e-01 1.946569960e+00 3.970123800e+00 7.552385407e-01 2.007609828e+00 2.24 4.309222058e+00 1.578602571e+00 3.600834274e+00 4.338393942e+00 4.367494556e+00 6.119441689e-01 1.759280901e+00 3.688704220e+00 6.451422834e-01 1.832073944e+00 2.26 4.015565752e+00 1.445481690e+00 3.350531899e+00 4.044366573e+00 4.073160347e+00 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