# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Lee-J-S-Chun-Y-B-Ko-W-S--Pt-Ti # implementation = 2022--Lee-J-S--Pt-Ti--LAMMPS--ipr1 # composition = Pt # 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 2026-08-31 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 2.127559362e+03 nan nan nan nan 0.74 nan nan nan nan nan 1.981075915e+03 nan nan nan nan 0.76 nan nan nan nan nan 1.844342953e+03 nan nan 2.334453960e+03 nan 0.78 nan nan nan nan nan 1.716722158e+03 nan nan 2.155644068e+03 nan 0.80 nan nan nan nan nan 1.597617033e+03 nan nan 1.990270154e+03 nan 0.82 nan nan nan nan nan 1.486470096e+03 nan nan 1.837329091e+03 nan 0.84 nan 3.175012143e+03 nan nan nan 1.382760277e+03 2.679991297e+03 nan 1.695892703e+03 2.318403975e+03 0.86 nan 2.928301678e+03 nan nan nan 1.286000493e+03 2.480388009e+03 nan 1.565102140e+03 2.152867600e+03 0.88 nan 2.700133389e+03 nan nan nan 1.195735398e+03 2.295265714e+03 nan 1.444162667e+03 1.998824757e+03 0.90 nan 2.489148945e+03 nan nan nan 1.111539279e+03 2.123589698e+03 nan 1.332338858e+03 1.855488258e+03 0.92 nan 2.294087340e+03 3.034148491e+03 nan nan 1.033014108e+03 1.964398497e+03 3.072261261e+03 1.228950148e+03 1.722124597e+03 0.94 3.053305840e+03 2.113778052e+03 2.816395342e+03 3.053311489e+03 3.053317137e+03 9.597877168e+02 1.816798744e+03 2.856579835e+03 1.133366722e+03 1.598050274e+03 0.96 2.843001360e+03 1.947134690e+03 2.613744828e+03 2.843007126e+03 2.843012891e+03 8.915121028e+02 1.679960370e+03 2.655472607e+03 1.045005718e+03 1.482628385e+03 0.98 2.646633431e+03 1.793149063e+03 2.425176087e+03 2.646639316e+03 2.646645201e+03 8.278618493e+02 1.553112147e+03 2.467983548e+03 9.633277070e+02 1.375265432e+03 1.00 2.463305875e+03 1.650885667e+03 2.249735782e+03 2.463311882e+03 2.463317889e+03 7.685326493e+02 1.435537541e+03 2.293217773e+03 8.878334520e+02 1.275408365e+03 1.02 2.292178673e+03 1.519476555e+03 2.086533709e+03 2.292184803e+03 2.292190934e+03 7.132399314e+02 1.326570857e+03 2.130337713e+03 8.180608987e+02 1.182541823e+03 1.04 2.132464527e+03 1.398116557e+03 1.934738707e+03 2.132470783e+03 2.132477039e+03 6.617175761e+02 1.225593656e+03 1.978559527e+03 7.535823997e+02 1.096185559e+03 1.06 1.983425625e+03 1.286058834e+03 1.793574813e+03 1.983432009e+03 1.983438393e+03 6.137167183e+02 1.132031422e+03 1.837149736e+03 6.940021456e+02 1.015892052e+03 1.08 1.844370604e+03 1.182610743e+03 1.662317667e+03 1.844377119e+03 1.844383633e+03 5.690046291e+02 1.045350463e+03 1.705422059e+03 6.389537890e+02 9.412442740e+02 1.10 1.714651694e+03 1.087129984e+03 1.540291153e+03 1.714658341e+03 1.714664988e+03 5.273636722e+02 9.650550337e+02 1.582734445e+03 5.880982471e+02 8.718536152e+02 1.12 1.593662030e+03 9.990210228e+02 1.426864244e+03 1.593668812e+03 1.593675594e+03 4.885903278e+02 8.906846540e+02 1.468486288e+03 5.411216697e+02 8.073579498e+02 1.14 1.480833135e+03 9.177317554e+02 1.321448060e+03 1.480840053e+03 1.480846971e+03 4.524942820e+02 8.218116221e+02 1.362115819e+03 4.977335588e+02 7.474198332e+02 1.16 1.375632543e+03 8.427504119e+02 1.223493108e+03 1.375639600e+03 1.375646657e+03 4.188975753e+02 7.580386986e+02 1.263097648e+03 4.576650293e+02 6.917248238e+02 1.18 1.277561580e+03 7.736026724e+02 1.132486701e+03 1.277568778e+03 1.277575976e+03 3.876338062e+02 6.989969547e+02 1.170940466e+03 4.206672009e+02 6.399799189e+02 1.20 1.186153265e+03 7.098489885e+02 1.047950543e+03 1.186160606e+03 1.186167948e+03 3.585473881e+02 6.443437716e+02 1.085184891e+03 3.865097088e+02 5.919120973e+02 1.22 1.100970348e+03 6.510820890e+02 9.694384716e+02 1.100977836e+03 1.100985323e+03 3.314928525e+02 5.937609808e+02 1.005401437e+03 3.549793268e+02 5.472669620e+02 1.24 1.021603465e+03 5.969246642e+02 8.965343431e+02 1.021611100e+03 1.021618735e+03 3.063341993e+02 5.469531348e+02 9.311886215e+02 3.258786935e+02 5.058074745e+02 1.26 9.476694001e+02 5.470272102e+02 8.288500549e+02 9.476771849e+02 9.476849697e+02 2.829442879e+02 5.036459000e+02 8.621711824e+02 2.990251326e+02 4.673127762e+02 1.28 8.788094583e+02 5.010660272e+02 7.660236971e+02 8.788173952e+02 8.788253321e+02 2.612042679e+02 4.635845618e+02 7.979984079e+02 2.742495620e+02 4.315770894e+02 1.30 8.146879379e+02 4.587413577e+02 7.077178221e+02 8.146960291e+02 8.147041203e+02 2.410030468e+02 4.265326362e+02 7.383425715e+02 2.513954844e+02 3.984086937e+02 1.32 7.549906924e+02 4.197756566e+02 6.536178273e+02 7.549989401e+02 7.550071878e+02 2.222367912e+02 3.922705777e+02 6.828974632e+02 2.303180527e+02 3.676289717e+02 1.34 6.994237825e+02 3.839119839e+02 6.034304418e+02 6.994321888e+02 6.994405952e+02 2.048084609e+02 3.605945795e+02 6.313770133e+02 2.108832049e+02 3.390715195e+02 1.36 6.477122100e+02 3.509125107e+02 5.568823127e+02 6.477207771e+02 6.477293442e+02 1.886273723e+02 3.313154571e+02 5.835140016e+02 1.929668641e+02 3.125813177e+02 1.38 5.995987291e+02 3.205571319e+02 5.137186815e+02 5.996074592e+02 5.996161892e+02 1.736087897e+02 3.042576112e+02 5.390588485e+02 1.764541976e+02 2.880139590e+02 1.40 5.548427307e+02 2.926421768e+02 4.737021481e+02 5.548516259e+02 5.548605211e+02 1.596735433e+02 2.792580638e+02 4.977784803e+02 1.612389307e+02 2.652349278e+02 1.42 5.132191954e+02 2.669792118e+02 4.366115150e+02 5.132282578e+02 5.132373201e+02 1.467476707e+02 2.561655611e+02 4.594552667e+02 1.472227124e+02 2.441189288e+02 1.44 4.745177100e+02 2.433939287e+02 4.022407066e+02 4.745269417e+02 4.745361734e+02 1.347620823e+02 2.348397416e+02 4.238860256e+02 1.343145277e+02 2.245492612e+02 1.46 4.385415457e+02 2.217251117e+02 3.703977593e+02 4.385509488e+02 4.385603519e+02 1.236522472e+02 2.151503605e+02 3.908810889e+02 1.224301532e+02 2.064172354e+02 1.48 4.051067923e+02 2.018236787e+02 3.409038778e+02 4.051163688e+02 4.051259453e+02 1.133578997e+02 1.969765712e+02 3.602634292e+02 1.114916540e+02 1.896216289e+02 1.50 3.740415459e+02 1.835517911e+02 3.135925530e+02 3.740512978e+02 3.740610498e+02 1.038227639e+02 1.802062554e+02 3.318678401e+02 1.014269170e+02 1.740681796e+02 1.52 3.451851471e+02 1.667820276e+02 2.883087378e+02 3.451950765e+02 3.452050059e+02 9.499429680e+01 1.647354021e+02 3.055401688e+02 9.216921962e+01 1.596691127e+02 1.54 3.183874664e+02 1.513966170e+02 2.649080774e+02 3.183975751e+02 3.184076839e+02 8.682344635e+01 1.504675292e+02 2.811365978e+02 8.365682978e+01 1.463427000e+02 1.56 2.935082333e+02 1.372867266e+02 2.432561895e+02 2.935185234e+02 2.935288135e+02 7.926442633e+01 1.373131469e+02 2.585229712e+02 7.583263602e+01 1.340128492e+02 1.58 2.704164080e+02 1.243518018e+02 2.232279926e+02 2.704268812e+02 2.704373544e+02 7.227450462e+01 1.251892587e+02 2.375741648e+02 6.864380473e+01 1.226087208e+02 1.60 2.489895909e+02 1.124989526e+02 2.047070780e+02 2.490002491e+02 2.490109073e+02 6.581380530e+01 1.140188973e+02 2.181734952e+02 6.204146292e+01 1.120643707e+02 1.62 2.291134704e+02 1.016423859e+02 1.875851241e+02 2.291243153e+02 2.291351602e+02 5.984512331e+01 1.037306937e+02 2.002121675e+02 5.598040441e+01 1.023184172e+02 1.64 2.106813036e+02 9.170287769e+01 1.717613481e+02 2.106923369e+02 2.107033703e+02 5.433375086e+01 9.425847700e+01 1.835887579e+02 5.041881774e+01 9.331373064e+01 1.66 1.935934306e+02 8.260728397e+01 1.571419954e+02 1.936046540e+02 1.936158774e+02 4.924731497e+01 8.554090188e+01 1.682087288e+02 4.531803425e+01 8.499714355e+01 1.68 1.777568185e+02 7.428808716e+01 1.436398623e+02 1.777682335e+02 1.777796485e+02 4.455562526e+01 7.752110308e+01 1.539839759e+02 4.064229474e+01 7.731918099e+01 1.70 1.630846342e+02 6.668297567e+01 1.311738496e+02 1.630962424e+02 1.631078505e+02 4.023053159e+01 7.014637399e+01 1.408324035e+02 3.635853349e+01 7.023380867e+01 1.72 1.494958442e+02 5.973445378e+01 1.196685474e+02 1.495076469e+02 1.495194496e+02 3.624579059e+01 6.336786820e+01 1.286775276e+02 3.243617810e+01 6.369819823e+01 1.74 1.369148390e+02 5.338948046e+01 1.090538465e+02 1.369268376e+02 1.369388362e+02 3.257694092e+01 5.714032209e+01 1.174481045e+02 2.884696422e+01 5.767250846e+01 1.76 1.252710818e+02 4.759913412e+01 9.926457563e+01 1.252832775e+02 1.252954732e+02 2.920118633e+01 5.142179722e+01 1.070777826e+02 2.556476400e+01 5.211968121e+01 1.78 1.144987787e+02 4.231830242e+01 9.024016373e+01 1.145111727e+02 1.145235666e+02 2.609728627e+01 4.617344095e+01 9.750477789e+01 2.256542712e+01 4.700525111e+01 1.80 1.045365703e+02 3.750539442e+01 8.192432405e+01 1.045491636e+02 1.045617569e+02 2.324545354e+01 4.135926407e+01 8.867156922e+01 1.982663361e+01 4.229716823e+01 1.82 9.532724272e+01 3.312207424e+01 7.426475973e+01 9.534003626e+01 9.535282980e+01 2.062725840e+01 3.694593427e+01 8.052461406e+01 1.732775762e+01 3.796563263e+01 1.84 8.681745617e+01 2.913301412e+01 6.721288911e+01 8.683045075e+01 8.684344534e+01 1.822553892e+01 3.290258425e+01 7.301408239e+01 1.504974112e+01 3.398294015e+01 1.86 7.895749191e+01 2.550566588e+01 6.072358942e+01 7.897068822e+01 7.898388453e+01 1.602431702e+01 2.920063355e+01 6.609360793e+01 1.297497705e+01 3.032333866e+01 1.88 7.170101450e+01 2.221004910e+01 5.475495778e+01 7.171441308e+01 7.172781167e+01 1.400871997e+01 2.581362301e+01 5.972005559e+01 1.108720104e+01 2.696289398e+01 1.90 6.500484943e+01 1.921855522e+01 4.926808832e+01 6.501845069e+01 6.503205195e+01 1.216490687e+01 2.271706107e+01 5.385330399e+01 9.371391151e+00 2.387936489e+01 1.92 5.882877496e+01 1.650576596e+01 4.422686421e+01 5.884257914e+01 5.885638333e+01 1.047999997e+01 1.988828104e+01 4.845604229e+01 7.813675044e+00 2.105208666e+01 1.94 5.313532720e+01 1.404828544e+01 3.959776393e+01 5.314933440e+01 5.316334159e+01 8.942020200e+00 1.730630851e+01 4.349358019e+01 6.401243977e+00 1.846186240e+01 1.96 4.788961774e+01 1.182458465e+01 3.534968052e+01 4.790382786e+01 4.791803798e+01 7.539827443e+00 1.495173828e+01 3.893367056e+01 5.122273187e+00 1.609086178e+01 1.98 4.305916287e+01 9.814857686e+00 3.145375315e+01 4.307357566e+01 4.308798844e+01 6.263063803e+00 1.280662010e+01 3.474634349e+01 3.965848157e+00 1.392252669e+01 2.00 3.861372391e+01 8.000888639e+00 2.788321012e+01 3.862833890e+01 3.864295389e+01 5.102101161e+00 1.085435252e+01 3.090375149e+01 2.921896332e+00 1.194148321e+01 2.02 3.452515771e+01 6.365928498e+00 2.461322255e+01 3.453997424e+01 3.455479076e+01 4.047992084e+00 9.079584403e+00 2.738002469e+01 1.981123895e+00 1.013345960e+01 2.04 3.076727681e+01 4.894581319e+00 2.162076800e+01 3.078229400e+01 3.079731119e+01 3.092423781e+00 7.468123482e+00 2.415113571e+01 1.134957210e+00 8.485209893e+00 2.06 2.731571870e+01 3.572698944e+00 1.888450347e+01 2.733093545e+01 2.734615220e+01 2.227675125e+00 6.006851476e+00 2.119477349e+01 3.754886184e-01 6.984442589e+00 2.08 2.414782347e+01 2.387283684e+00 1.638464702e+01 2.416323843e+01 2.417865340e+01 1.446576476e+00 4.683645303e+00 1.849022540e+01 -3.045737552e-01 5.619754303e+00 2.10 2.124251943e+01 1.326398337e+00 1.410286754e+01 2.125813101e+01 2.127374258e+01 7.424721301e-01 3.487303955e+00 1.601826724e+01 -9.119524803e-01 4.380567867e+00 2.12 1.858021615e+01 3.790830567e-01 1.202218207e+01 1.859602248e+01 1.861182881e+01 1.091852436e-01 2.407480639e+00 1.376106057e+01 -1.452843846e+00 3.257074665e+00 2.14 1.614270450e+01 -4.647215009e-01 1.012686019e+01 1.615870343e+01 1.617470237e+01 -4.590149495e-01 1.434619809e+00 1.170205683e+01 -1.932957696e+00 2.240180907e+00 2.16 1.391306314e+01 -1.214245143e+00 8.402334978e+00 1.392925225e+01 1.394544135e+01 -9.674437525e-01 5.598987377e-01 9.825907951e+00 -2.357554304e+00 1.321457565e+00 2.18 1.187557123e+01 -1.877953727e+00 6.835120124e+00 1.189194775e+01 1.190832427e+01 -1.421029604e+00 -2.248266998e-01 8.118382836e+00 -2.731478510e+00 4.930937290e-01 2.20 1.001562675e+01 -2.463609699e+00 5.412732776e+00 1.003218760e+01 1.004874846e+01 -1.824340780e+00 -9.270723125e-01 6.566289577e+00 -3.059191320e+00 -2.521468461e-01 2.22 8.319670240e+00 -2.978328025e+00 4.123621720e+00 8.336412008e+00 8.353153775e+00 -2.181610332e+00 -1.553772245e+00 5.157402824e+00 -3.344799152e+00 -9.209662163e-01 2.24 6.775113571e+00 -3.428627791e+00 2.957100553e+00 6.792032469e+00 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