# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Kim-J-Koo-Y-Lee-B-J--Fe-Pt # implementation = 2006--Kim-J--Fe-Pt--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 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 2.133007786e+03 nan nan nan nan 0.74 nan nan nan nan nan 1.987863638e+03 nan nan 2.330621586e+03 nan 0.76 nan nan nan nan nan 1.852209214e+03 nan nan 2.158377502e+03 nan 0.78 nan nan nan nan nan 1.725442713e+03 nan nan 1.998493674e+03 nan 0.80 nan nan nan nan nan 1.606999542e+03 nan nan 1.850100240e+03 nan 0.82 nan 3.364330459e+03 nan nan nan 1.496350064e+03 nan nan 1.712387674e+03 2.275551868e+03 0.84 nan 3.103509701e+03 nan nan nan 1.392997482e+03 2.040304148e+03 nan 1.584602646e+03 2.119367342e+03 0.86 nan 2.862258509e+03 nan nan nan 1.296475845e+03 1.896572914e+03 nan 1.466044172e+03 1.973470342e+03 0.88 nan 2.639144549e+03 nan nan nan 1.206348182e+03 1.762565332e+03 nan 1.356060013e+03 1.837203980e+03 0.90 nan 2.432838147e+03 2.592076962e+03 nan nan 1.122204733e+03 1.637642829e+03 nan 1.254043332e+03 1.709952240e+03 0.92 3.278502870e+03 2.242105072e+03 2.410446245e+03 3.278537818e+03 3.278572767e+03 1.043661299e+03 1.521207768e+03 3.068284104e+03 1.159429567e+03 1.591137490e+03 0.94 3.053305840e+03 2.065799802e+03 2.241069165e+03 3.053340629e+03 3.053375419e+03 9.703576775e+02 1.412700880e+03 2.852954938e+03 1.071693526e+03 1.480218148e+03 0.96 2.843001360e+03 1.902859276e+03 2.083141990e+03 2.843035988e+03 2.843070616e+03 9.019562058e+02 1.311598850e+03 2.652169509e+03 9.903466739e+02 1.376686477e+03 0.98 2.646633431e+03 1.752297063e+03 1.935912500e+03 2.646667897e+03 2.646702362e+03 8.381403784e+02 1.217412051e+03 2.464974354e+03 9.149346049e+02 1.280066525e+03 1.00 2.463305875e+03 1.613197944e+03 1.798676746e+03 2.463340176e+03 2.463374477e+03 7.786135541e+02 1.129682424e+03 2.290476944e+03 8.450346916e+02 1.189912175e+03 1.02 2.292178673e+03 1.484712871e+03 1.670776020e+03 2.292212808e+03 2.292246943e+03 7.230977391e+02 1.047981484e+03 2.127841871e+03 7.802538897e+02 1.105805323e+03 1.04 2.132464527e+03 1.366054275e+03 1.551594002e+03 2.132498494e+03 2.132532461e+03 6.713324429e+02 9.719084512e+02 1.976287280e+03 7.202266950e+02 1.027354158e+03 1.06 1.983425625e+03 1.256491700e+03 1.440554087e+03 1.983459422e+03 1.983493220e+03 6.230736026e+02 9.010884968e+02 1.835081511e+03 6.646132397e+02 9.541915495e+02 1.08 1.844370604e+03 1.155347743e+03 1.337116879e+03 1.844404231e+03 1.844437857e+03 5.780925728e+02 8.351711022e+02 1.703539953e+03 6.130975184e+02 8.859735281e+02 1.10 1.714651694e+03 1.061994279e+03 1.240777840e+03 1.714685147e+03 1.714718601e+03 5.361751756e+02 7.738285150e+02 1.581022086e+03 5.653857361e+02 8.223778607e+02 1.12 1.593662030e+03 9.758489461e+02 1.151065084e+03 1.593695309e+03 1.593728587e+03 4.971208080e+02 7.167543037e+02 1.466928709e+03 5.212047689e+02 7.631027106e+02 1.14 1.480833135e+03 8.963718819e+02 1.067537307e+03 1.480866236e+03 1.480899338e+03 4.607416031e+02 6.636620021e+02 1.360699337e+03 4.803007302e+02 7.078653775e+02 1.16 1.375632543e+03 8.230626834e+02 9.897818491e+02 1.375665466e+03 1.375698389e+03 4.268616424e+02 6.142838378e+02 1.261809762e+03 4.424376355e+02 6.564011154e+02 1.18 1.277561580e+03 7.554575837e+02 9.174128741e+02 1.277594323e+03 1.277627066e+03 3.953162151e+02 5.683695407e+02 1.169769754e+03 4.073961583e+02 6.084620200e+02 1.20 1.186153265e+03 6.931268263e+02 8.500696645e+02 1.186185826e+03 1.186218387e+03 3.659511229e+02 5.256852255e+02 1.084120919e+03 3.749724719e+02 5.638159850e+02 1.22 1.100970349e+03 6.356722230e+02 7.874150221e+02 1.101002726e+03 1.101035103e+03 3.386220265e+02 4.860123441e+02 1.004434680e+03 3.449771708e+02 5.222457210e+02 1.24 1.021603466e+03 5.827248853e+02 7.291337681e+02 1.021635657e+03 1.021667848e+03 3.131938321e+02 4.491467044e+02 9.303103829e+02 3.172342657e+02 4.835478339e+02 1.26 9.476694001e+02 5.339431153e+02 6.749313384e+02 9.477014037e+02 9.477334072e+02 2.895401151e+02 4.148975493e+02 8.613735238e+02 2.915802484e+02 4.475319598e+02 1.28 8.788094583e+02 4.890104448e+02 6.245324651e+02 8.788412723e+02 8.788730864e+02 2.675425788e+02 3.830866949e+02 7.972740865e+02 2.678632204e+02 4.140199523e+02 1.30 8.146879379e+02 4.476338143e+02 5.776799421e+02 8.147195606e+02 8.147511833e+02 2.470905464e+02 3.535477217e+02 7.376849798e+02 2.459420822e+02 3.828451186e+02 1.32 7.549906925e+02 4.095418799e+02 5.341334669e+02 7.550221219e+02 7.550535513e+02 2.280804834e+02 3.261252177e+02 6.823005751e+02 2.256857778e+02 3.538515036e+02 1.34 6.994237826e+02 3.744834406e+02 4.936685564e+02 6.994550169e+02 6.994862511e+02 2.104155499e+02 3.006740685e+02 6.308353341e+02 2.069725921e+02 3.268932167e+02 1.36 6.477122101e+02 3.422259775e+02 4.560755299e+02 6.477432473e+02 6.477742845e+02 1.940051798e+02 2.770587925e+02 5.830225229e+02 1.896894962e+02 3.018338002e+02 1.38 5.995987291e+02 3.125542964e+02 4.211585565e+02 5.996295673e+02 5.996604055e+02 1.787646862e+02 2.551529179e+02 5.386130055e+02 1.737315385e+02 2.785456362e+02 1.40 5.548427307e+02 2.852692673e+02 3.887347628e+02 5.548733680e+02 5.549040053e+02 1.646148908e+02 2.348383996e+02 4.973741140e+02 1.590012773e+02 2.569093903e+02 1.42 5.132191953e+02 2.601866535e+02 3.586333962e+02 5.132496297e+02 5.132800641e+02 1.514817759e+02 2.160050723e+02 4.590885888e+02 1.454082534e+02 2.368134887e+02 1.44 4.745177099e+02 2.371360245e+02 3.306950420e+02 4.745479395e+02 4.745781691e+02 1.392961582e+02 1.985501385e+02 4.235535862e+02 1.328684984e+02 2.181536285e+02 1.46 4.385415457e+02 2.159597465e+02 3.047708891e+02 4.385715684e+02 4.386015912e+02 1.279933825e+02 1.823776897e+02 3.905797472e+02 1.213040783e+02 2.008323171e+02 1.48 4.051067923e+02 1.965120452e+02 2.807220427e+02 4.051366063e+02 4.051664203e+02 1.175130343e+02 1.673982569e+02 3.599903262e+02 1.106426672e+02 1.847584409e+02 1.50 3.740415459e+02 1.786581357e+02 2.584188809e+02 3.740711491e+02 3.741007523e+02 1.077986703e+02 1.535283905e+02 3.316203742e+02 1.008171523e+02 1.698468601e+02 1.52 3.451851471e+02 1.622734147e+02 2.377404513e+02 3.452145376e+02 3.452439280e+02 9.879756518e+01 1.406902671e+02 3.053159733e+02 9.176526494e+01 1.560180288e+02 1.54 3.183874664e+02 1.472427112e+02 2.185739068e+02 3.184166420e+02 3.184458177e+02 9.046047501e+01 1.288113204e+02 2.809335199e+02 8.342923830e+01 1.431976386e+02 1.56 2.935082333e+02 1.334595911e+02 2.008139766e+02 2.935371921e+02 2.935661510e+02 8.274141417e+01 1.178238968e+02 2.583390534e+02 7.575548840e+01 1.313162844e+02 1.58 2.704164079e+02 1.208257113e+02 1.843624716e+02 2.704451479e+02 2.704738879e+02 7.559744702e+01 1.076649327e+02 2.374076275e+02 6.869431755e+01 1.203091507e+02 1.60 2.489895909e+02 1.092502209e+02 1.691278211e+02 2.490181100e+02 2.490466290e+02 6.898849212e+01 9.827565187e+01 2.180227210e+02 6.219963846e+01 1.101157178e+02 1.62 2.291134704e+02 9.864920630e+01 1.550246387e+02 2.291417665e+02 2.291700625e+02 6.287713888e+01 8.960128332e+01 2.000756868e+02 5.622871764e+01 1.006794861e+02 1.64 2.106813036e+02 8.894517506e+01 1.419733164e+02 2.107093746e+02 2.107374457e+02 5.722847549e+01 8.159079635e+01 1.834652354e+02 5.074193667e+01 9.194771753e+01 1.66 1.935934306e+02 8.006657864e+01 1.298996450e+02 1.936212745e+02 1.936491184e+02 5.200992778e+01 7.419665325e+01 1.680969518e+02 4.570257030e+01 8.387119327e+01 1.68 1.777568185e+02 7.194736902e+01 1.187344583e+02 1.777844331e+02 1.778120477e+02 4.719110809e+01 6.737457768e+01 1.538828432e+02 4.107657997e+01 7.640398680e+01 1.70 1.630846342e+02 6.452658772e+01 1.084133002e+02 1.631120175e+02 1.631394007e+02 4.274367366e+01 6.108333804e+01 1.407409154e+02 3.683242191e+01 6.950325091e+01 1.72 1.494958442e+02 5.774798496e+01 9.887611368e+01 1.495229940e+02 1.495501437e+02 3.864119389e+01 5.528454495e+01 1.285947768e+02 3.294086863e+01 6.312901826e+01 1.74 1.369148390e+02 5.155966646e+01 9.006694953e+01 1.369417531e+02 1.369686672e+02 3.485902603e+01 4.994246168e+01 1.173732674e+02 2.937484304e+01 5.724401439e+01 1.76 1.252710818e+02 4.591376611e+01 8.193369374e+01 1.252977581e+02 1.253244344e+02 3.137419864e+01 4.502382705e+01 1.070101123e+02 2.610926411e+01 5.181348263e+01 1.78 1.144987787e+02 4.076614275e+01 7.442781275e+01 1.145252151e+02 1.145516514e+02 2.816530249e+01 4.049768970e+01 9.744359670e+01 2.312090355e+01 4.680501998e+01 1.80 1.045365704e+02 3.607609897e+01 6.750411515e+01 1.045627646e+02 1.045889589e+02 2.521238829e+01 3.633525321e+01 8.861626251e+01 2.038825251e+01 4.218842340e+01 1.82 9.532724274e+01 3.180612084e+01 6.112052876e+01 9.535319267e+01 9.537914259e+01 2.249687098e+01 3.250973132e+01 8.047462456e+01 1.789139766e+01 3.793554589e+01 1.84 8.681745618e+01 2.792163661e+01 5.523789225e+01 8.684315958e+01 8.686886298e+01 2.000144007e+01 2.899621257e+01 7.296890491e+01 1.561190610e+01 3.402016159e+01 1.86 7.895749191e+01 2.439079333e+01 4.981976026e+01 7.898294657e+01 7.900840123e+01 1.770997570e+01 2.577153382e+01 6.605278452e+01 1.353271839e+01 3.041783961e+01 1.88 7.170101449e+01 2.118424994e+01 4.483222125e+01 7.172621817e+01 7.175142186e+01 1.560747000e+01 2.281416205e+01 5.968317121e+01 1.163804909e+01 2.710582574e+01 1.90 6.500484941e+01 1.827498569e+01 4.024372722e+01 6.502979989e+01 6.505475036e+01 1.367995359e+01 2.010408387e+01 5.381998258e+01 9.913294438e+00 2.406293182e+01 1.92 5.882877495e+01 1.563812277e+01 3.602493457e+01 5.885346995e+01 5.887816496e+01 1.191442662e+01 1.762270238e+01 4.842594311e+01 8.344946549e+00 2.126943216e+01 1.94 5.313532720e+01 1.325076216e+01 3.214855533e+01 5.315976447e+01 5.318420174e+01 1.029879444e+01 1.535274075e+01 4.346639459e+01 6.920513682e+00 1.870696651e+01 1.96 4.788961774e+01 1.109183161e+01 2.858921824e+01 4.791379499e+01 4.793797224e+01 8.821807171e+00 1.327815217e+01 3.890911894e+01 5.628446228e+00 1.635844942e+01 1.98 4.305916287e+01 9.141945093e+00 2.532333883e+01 4.308307781e+01 4.310699274e+01 7.473003387e+00 1.138403581e+01 3.472417267e+01 4.458067940e+00 1.420798527e+01 2.00 3.861372391e+01 7.383272686e+00 2.232899818e+01 3.863737422e+01 3.866102453e+01 6.242657276e+00 9.656558234e+00 3.088373216e+01 3.399512088e+00 1.224078886e+01 2.02 3.452515770e+01 5.799420191e+00 1.958582957e+01 3.454854107e+01 3.457192444e+01 5.121729286e+00 8.082880172e+00 2.736194920e+01 2.443662160e+00 1.044311109e+01 2.04 3.076727680e+01 4.375317856e+00 1.707491261e+01 3.079039089e+01 3.081350498e+01 4.101819947e+00 6.651088014e+00 2.413481608e+01 1.582096813e+00 8.802169471e+00 2.06 2.731571870e+01 3.097117397e+00 1.477867448e+01 2.733856116e+01 2.736140362e+01 3.175126700e+00 5.350129950e+00 2.118003952e+01 8.070387639e-01 7.306083111e+00 2.08 2.414782347e+01 1.952096829e+00 1.268079756e+01 2.417039195e+01 2.419296042e+01 2.334403524e+00 4.169756360e+00 1.847692301e+01 1.113073452e-01 5.943811936e+00 2.10 2.124251944e+01 9.285724773e-01 1.076613335e+01 2.126481154e+01 2.128710365e+01 1.572923202e+00 3.100464163e+00 1.600625696e+01 -5.117255267e-01 4.705099866e+00 2.12 1.858021616e+01 1.581762135e-02 9.020621943e+00 1.860222951e+01 1.862424287e+01 8.844420510e-01 2.133444916e+00 1.375021614e+01 -1.068176220e+00 3.580421691e+00 2.14 1.614270450e+01 -7.960126410e-01 7.431217048e+00 1.616443670e+01 1.618616890e+01 2.631669573e-01 1.260536395e+00 1.169226398e+01 -1.563687310e+00 2.560933420e+00 2.16 1.391306315e+01 -1.515950858e+00 5.985815864e+00 1.393451177e+01 1.395596039e+01 -2.962754197e-01 4.741774147e-01 9.817063230e+00 -2.003462765e+00 1.638425878e+00 2.18 1.187557123e+01 -2.152281383e+00 4.673193720e+00 1.189673385e+01 1.191789647e+01 -7.988674247e-01 -2.326342828e-01 8.110392632e+00 -2.392300593e+00 8.052813463e-01 2.20 1.001562675e+01 -2.712599612e+00 3.482943078e+00 1.003650092e+01 1.005737509e+01 -1.249227284e+00 -8.663813180e-01 6.559069174e+00 -2.734623125e+00 5.443305552e-02 2.22 8.319670242e+00 -3.203866728e+00 2.405416627e+00 8.340253508e+00 8.360836774e+00 -1.651634208e+00 -1.433063291e+00 5.150875556e+00 -3.034505101e+00 -6.206726571e-01 2.24 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