# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Dutta-P-S-Koneru-A-Muhammed-A-et-al--Bi # implementation = 2026--Dutta-P-S--Bi--LAMMPS--ipr1 # composition = Bi # 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 2026-06-16 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 nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 1.115447939e+03 nan nan nan nan 0.80 nan nan nan nan nan 1.017796693e+03 nan nan 1.185932839e+03 nan 0.82 nan nan nan nan nan 9.300577021e+02 nan nan 1.083583407e+03 nan 0.84 nan nan nan nan nan 8.510396988e+02 nan nan 9.913924316e+02 nan 0.86 nan nan nan nan nan 7.797028799e+02 nan nan 9.081974791e+02 nan 0.88 nan nan nan nan nan 7.151986279e+02 nan nan 8.329726537e+02 nan 0.90 nan 1.083797590e+03 nan nan nan 6.567832128e+02 1.106894764e+03 nan 7.648062452e+02 1.091748251e+03 0.92 nan 9.983760082e+02 nan nan nan 6.038027056e+02 1.020176745e+03 nan 7.029276656e+02 1.006389640e+03 0.94 nan 9.205833161e+02 nan nan nan 5.556713873e+02 9.412005054e+02 nan 6.466705816e+02 9.286820502e+02 0.96 nan 8.496405646e+02 nan nan nan 5.118646744e+02 8.691629854e+02 nan 5.954545316e+02 8.578233449e+02 0.98 nan 7.848580142e+02 1.090822478e+03 nan nan 4.719436520e+02 8.033657008e+02 1.126574889e+03 5.487529293e+02 7.930712867e+02 1.00 1.124145534e+03 7.256226246e+02 1.011525779e+03 1.124204809e+03 1.124264147e+03 4.355194603e+02 7.431891447e+02 1.045037513e+03 5.061047197e+02 7.338184967e+02 1.02 1.044325827e+03 6.713804400e+02 9.387646394e+02 1.044371600e+03 1.044417261e+03 4.022434585e+02 6.880815811e+02 9.702130155e+02 4.671058362e+02 6.795333229e+02 1.04 9.709705648e+02 6.216317334e+02 8.719133870e+02 9.709937254e+02 9.710167299e+02 3.717990676e+02 6.375409142e+02 9.014645799e+02 4.314041716e+02 6.297417631e+02 1.06 9.034505390e+02 5.759426307e+02 8.104234756e+02 9.034518177e+02 9.034530257e+02 3.439148619e+02 5.911326369e+02 8.382048761e+02 3.986873021e+02 5.839961647e+02 1.08 8.412078041e+02 5.339349573e+02 7.538045070e+02 8.411951475e+02 8.411825275e+02 3.183490298e+02 5.484606394e+02 7.799210746e+02 3.686690486e+02 5.419008923e+02 1.10 7.837734262e+02 4.952770034e+02 7.016162889e+02 7.837531651e+02 7.837330008e+02 2.948849111e+02 5.091673093e+02 7.261683836e+02 3.411016937e+02 5.031322906e+02 1.12 7.307252093e+02 4.596702959e+02 6.534631227e+02 7.307022554e+02 7.306794241e+02 2.733281688e+02 4.729461846e+02 6.765465273e+02 3.157648880e+02 4.673984795e+02 1.14 6.816824202e+02 4.268458780e+02 6.089889458e+02 6.816605009e+02 6.816386871e+02 2.535043604e+02 4.395119784e+02 6.306924005e+02 2.924599186e+02 4.344357998e+02 1.16 6.363013283e+02 3.965611929e+02 5.678731765e+02 6.362831815e+02 6.362650627e+02 2.352567584e+02 4.086255721e+02 5.882708176e+02 2.710074203e+02 4.040057990e+02 1.18 5.942641492e+02 3.685935694e+02 5.298219470e+02 5.942534219e+02 5.942426572e+02 2.184443881e+02 3.800740569e+02 5.489883216e+02 2.512452928e+02 3.758890040e+02 1.20 5.552793777e+02 3.427396804e+02 4.945672287e+02 5.552816452e+02 5.552838632e+02 2.029402212e+02 3.536639772e+02 5.125793635e+02 2.330268930e+02 3.498846159e+02 1.22 5.190978949e+02 3.188229706e+02 4.618755735e+02 5.191166071e+02 5.191352730e+02 1.886291765e+02 3.292179561e+02 4.788081454e+02 2.162175870e+02 3.258179336e+02 1.24 4.854936454e+02 2.966833799e+02 4.315110985e+02 4.855242328e+02 4.855548013e+02 1.753952935e+02 3.065718548e+02 4.474605420e+02 2.006947784e+02 3.035302614e+02 1.26 4.542608440e+02 2.761694002e+02 4.032805262e+02 4.542969019e+02 4.543329745e+02 1.631440419e+02 2.855812085e+02 4.183417945e+02 1.863496239e+02 2.828770624e+02 1.28 4.252119930e+02 2.571391686e+02 3.770198646e+02 4.252485553e+02 4.252851662e+02 1.517956421e+02 2.661145173e+02 3.912745564e+02 1.730843531e+02 2.637265984e+02 1.30 3.981761114e+02 2.394758072e+02 3.525789203e+02 3.982094420e+02 3.982428386e+02 1.412773860e+02 2.480515815e+02 3.660960020e+02 1.608101331e+02 2.459587091e+02 1.32 3.729972188e+02 2.230676210e+02 3.298200616e+02 3.730245670e+02 3.730519999e+02 1.315229797e+02 2.312824475e+02 3.426508108e+02 1.494433732e+02 2.294637253e+02 1.34 3.495327982e+02 2.078185178e+02 3.086171050e+02 3.495522566e+02 3.495718118e+02 1.224719191e+02 2.157064819e+02 3.208026422e+02 1.389103693e+02 2.141415274e+02 1.36 3.276416679e+02 1.936406917e+02 2.888542087e+02 3.276533803e+02 3.276651831e+02 1.140689421e+02 2.012315402e+02 3.004163072e+02 1.291450246e+02 1.998970649e+02 1.38 3.071880524e+02 1.804528913e+02 2.704249615e+02 3.071948021e+02 3.072015931e+02 1.062635689e+02 1.877731825e+02 2.813841156e+02 1.200869064e+02 1.866412336e+02 1.40 2.880700434e+02 1.681821821e+02 2.532315449e+02 2.880741176e+02 2.880781657e+02 9.900957608e+01 1.752539913e+02 2.636096429e+02 1.116807603e+02 1.742998755e+02 1.42 2.701941223e+02 1.567613612e+02 2.371839559e+02 2.701972915e+02 2.702003908e+02 9.226462814e+01 1.636029371e+02 2.470038788e+02 1.038760111e+02 1.628050038e+02 1.44 2.534738233e+02 1.461284449e+02 2.221953620e+02 2.534771114e+02 2.534803195e+02 8.598599991e+01 1.527523872e+02 2.314846004e+02 9.662501234e+01 1.520940890e+02 1.46 2.378291820e+02 1.362262411e+02 2.081812513e+02 2.378325769e+02 2.378359174e+02 8.013003897e+01 1.426410090e+02 2.169758063e+02 8.988078302e+01 1.421095904e+02 1.48 2.231861823e+02 1.270019733e+02 1.950741847e+02 2.231896400e+02 2.231930906e+02 7.466694029e+01 1.332148478e+02 2.034072165e+02 8.360549056e+01 1.327985210e+02 1.50 2.094762809e+02 1.184069146e+02 1.828121436e+02 2.094797767e+02 2.094833161e+02 6.956951748e+01 1.244241764e+02 1.907138055e+02 7.776481765e+01 1.241120889e+02 1.52 1.966359895e+02 1.103960204e+02 1.713376042e+02 1.966395048e+02 1.966431104e+02 6.481254566e+01 1.162231459e+02 1.788353713e+02 7.232712249e+01 1.160053419e+02 1.54 1.846064497e+02 1.029276343e+02 1.605972024e+02 1.846099726e+02 1.846136219e+02 6.037261859e+01 1.085694695e+02 1.677161419e+02 6.726324029e+01 1.084368002e+02 1.56 1.733330688e+02 9.596322701e+01 1.505413996e+02 1.733366047e+02 1.733402761e+02 5.622796466e+01 1.014241432e+02 1.573042512e+02 6.254622082e+01 1.013681871e+02 1.58 1.627652118e+02 8.946715118e+01 1.411241931e+02 1.627687684e+02 1.627724425e+02 5.235834897e+01 9.475115636e+01 1.475504070e+02 5.814774223e+01 9.476420670e+01 1.60 1.528558786e+02 8.340641924e+01 1.323028513e+02 1.528594657e+02 1.528631337e+02 4.874496230e+01 8.851640279e+01 1.384102631e+02 5.404354490e+01 8.859223854e+01 1.62 1.435614108e+02 7.775053168e+01 1.240376683e+02 1.435650499e+02 1.435687199e+02 4.537031783e+01 8.268393961e+01 1.298429897e+02 5.021360321e+01 8.282211825e+01 1.64 1.348412431e+02 7.247124103e+01 1.162917392e+02 1.348449589e+02 1.348486478e+02 4.221815645e+01 7.722583656e+01 1.218106444e+02 4.663930103e+01 7.742595108e+01 1.66 1.266563142e+02 6.754237527e+01 1.090307904e+02 1.266601127e+02 1.266638354e+02 3.927340174e+01 7.211727570e+01 1.142770578e+02 4.330333604e+01 7.237523880e+01 1.68 1.189683643e+02 6.293966942e+01 1.022229472e+02 1.189722285e+02 1.189759933e+02 3.652201745e+01 6.733518626e+01 1.072072936e+02 4.018962426e+01 6.763975133e+01 1.70 1.117456855e+02 5.864061775e+01 9.583852872e+01 1.117495876e+02 1.117533991e+02 3.395091831e+01 6.285809785e+01 1.005714377e+02 3.728318604e+01 6.319914357e+01 1.72 1.049589070e+02 5.462434812e+01 8.984990377e+01 1.049628232e+02 1.049666825e+02 3.154792692e+01 5.866603083e+01 9.434174395e+01 3.457009821e+01 5.903484611e+01 1.74 9.858060775e+01 5.087149949e+01 8.423134405e+01 9.858452925e+01 9.858843414e+01 2.930171232e+01 5.474038645e+01 8.849233161e+01 3.203738829e+01 5.512949958e+01 1.76 9.258518837e+01 4.736413618e+01 7.895892458e+01 9.258910652e+01 9.259304820e+01 2.720180136e+01 5.106383862e+01 8.299905995e+01 2.967296706e+01 5.146689774e+01 1.78 8.694873599e+01 4.408560203e+01 7.401034830e+01 8.695264147e+01 8.695660565e+01 2.523841601e+01 4.762021573e+01 7.783939876e+01 2.746557366e+01 4.803187288e+01 1.80 8.164890371e+01 4.102042017e+01 6.936481501e+01 8.165278796e+01 8.165675800e+01 2.340241381e+01 4.439443779e+01 7.299232302e+01 2.540471710e+01 4.481021845e+01 1.82 7.666480613e+01 3.815424835e+01 6.500293147e+01 7.666866185e+01 7.667261997e+01 2.168528054e+01 4.137244781e+01 6.843822339e+01 2.348062412e+01 4.178863704e+01 1.84 7.197691922e+01 3.547376538e+01 6.090661256e+01 7.198075044e+01 7.198467852e+01 2.007908783e+01 3.854113543e+01 6.415877423e+01 2.168420976e+01 3.895467978e+01 1.86 6.756698925e+01 3.296660872e+01 5.705898952e+01 6.757080478e+01 6.757468488e+01 1.857645340e+01 3.588826015e+01 6.013687684e+01 2.000701853e+01 3.629668999e+01 1.88 6.341802501e+01 3.062123916e+01 5.344432466e+01 6.342180359e+01 6.342560834e+01 1.717050375e+01 3.340129421e+01 5.635655231e+01 1.844116467e+01 3.380375074e+01 1.90 5.951410735e+01 2.842692137e+01 5.004793218e+01 5.951780752e+01 5.952150419e+01 1.585483939e+01 3.106832074e+01 5.280283256e+01 1.697910596e+01 3.146563607e+01 1.92 5.584029454e+01 2.637183808e+01 4.685613479e+01 5.584387904e+01 5.584744257e+01 1.462350215e+01 2.887988264e+01 4.946171300e+01 1.561265900e+01 2.927276564e+01 1.94 5.238259352e+01 2.444526686e+01 4.385618373e+01 5.238603645e+01 5.238945511e+01 1.347094468e+01 2.682713891e+01 4.632009178e+01 1.433541282e+01 2.721616240e+01 1.96 4.912789809e+01 2.263927382e+01 4.103613665e+01 4.913117823e+01 4.913444412e+01 1.239200719e+01 2.490180680e+01 4.336570989e+01 1.314170318e+01 2.528741334e+01 1.98 4.606393114e+01 2.094643229e+01 3.838488845e+01 4.606704422e+01 4.607015261e+01 1.138192427e+01 2.309612042e+01 4.058710298e+01 1.202622281e+01 2.347863281e+01 2.00 4.317919059e+01 1.935978816e+01 3.589201827e+01 4.318213958e+01 4.318508837e+01 1.043622465e+01 2.140277715e+01 3.797355201e+01 1.098399908e+01 2.178242843e+01 2.02 4.046290591e+01 1.787282822e+01 3.354767993e+01 4.046569521e+01 4.046848450e+01 9.550732645e+00 1.981492522e+01 3.551500615e+01 1.001037833e+01 2.019189983e+01 2.04 3.790499506e+01 1.647945058e+01 3.134048803e+01 3.790762674e+01 3.791025843e+01 8.721557309e+00 1.832613499e+01 3.320205292e+01 9.101021240e+00 1.870062364e+01 2.06 3.549599205e+01 1.517393732e+01 2.926139890e+01 3.549846942e+01 3.550094680e+01 7.945072743e+00 1.693037223e+01 3.102587693e+01 8.251857284e+00 1.730250421e+01 2.08 3.322702084e+01 1.395092893e+01 2.730301459e+01 3.322935545e+01 3.323169006e+01 7.217899632e+00 1.562197313e+01 2.897822058e+01 7.459066667e+00 1.599181732e+01 2.10 3.108975807e+01 1.280414095e+01 2.545837932e+01 3.109197552e+01 3.109419296e+01 6.536888018e+00 1.439562092e+01 2.705135901e+01 6.719054081e+00 1.476319079e+01 2.12 2.907639740e+01 1.172751764e+01 2.372095179e+01 2.907852390e+01 2.908065040e+01 5.899101210e+00 1.324632410e+01 2.523806121e+01 6.028464956e+00 1.361158285e+01 2.14 2.717961614e+01 1.071719287e+01 2.208458453e+01 2.718167728e+01 2.718373843e+01 5.301807087e+00 1.216939639e+01 2.353153220e+01 5.384159367e+00 1.253226186e+01 2.16 2.539254412e+01 9.769535152e+00 2.054350649e+01 2.539456411e+01 2.539658410e+01 4.742471816e+00 1.116046220e+01 2.192540102e+01 4.783176729e+00 1.152078726e+01 2.18 2.370873461e+01 8.881129111e+00 1.909227167e+01 2.371073573e+01 2.371273685e+01 4.218712454e+00 1.021540256e+01 2.041369348e+01 4.222743111e+00 1.057299168e+01 2.20 2.212213847e+01 8.048698587e+00 1.772575246e+01 2.212414035e+01 2.212614224e+01 3.728302985e+00 9.330297290e+00 1.899081881e+01 3.700264575e+00 9.684966056e+00 2.22 2.062713515e+01 7.269162534e+00 1.643912138e+01 2.062914014e+01 2.063114514e+01 3.269164905e+00 8.500905590e+00 1.765156209e+01 3.213307210e+00 8.853120514e+00 2.24 1.921842214e+01 6.539591839e+00 1.522783268e+01 1.922042241e+01 1.922242268e+01 2.839356896e+00 7.723722668e+00 1.639100155e+01 2.759605513e+00 8.074048669e+00 2.26 1.789098757e+01 5.857199521e+00 1.408760519e+01 1.789297366e+01 1.789495975e+01 2.437065214e+00 6.995712076e+00 1.520448580e+01 2.337042079e+00 7.344509858e+00 2.28 1.664012156e+01 5.219345274e+00 1.301440614e+01 1.664208297e+01 1.664404437e+01 2.060594761e+00 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