# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Pt # implementation = 2023--Daw-M-S--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 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 2.852830262e+06 nan nan nan nan 0.68 nan nan nan nan nan 2.568534963e+06 nan nan nan nan 0.70 nan nan nan nan nan 2.316522627e+06 nan nan 2.721137090e+06 nan 0.72 nan nan nan nan nan 2.092423455e+06 nan nan 2.461600779e+06 nan 0.74 nan nan nan nan nan 1.892545404e+06 nan nan 2.230009661e+06 nan 0.76 nan 2.851648937e+06 nan nan nan 1.713775731e+06 2.902556379e+06 nan 2.022779702e+06 2.858370147e+06 0.78 nan 2.600415805e+06 nan nan nan 1.553457909e+06 2.647707093e+06 nan 1.836853574e+06 2.607207445e+06 0.80 nan 2.374232841e+06 nan nan nan 1.409325266e+06 2.418262147e+06 nan 1.669624424e+06 2.381079901e+06 0.82 nan 2.170115905e+06 nan nan nan 1.279438481e+06 2.211180744e+06 nan 1.518848021e+06 2.177012946e+06 0.84 nan 1.985485891e+06 2.723530042e+06 nan nan 1.162122607e+06 2.023860204e+06 2.808812526e+06 1.382598538e+06 1.992431987e+06 0.86 2.770267943e+06 1.818119543e+06 2.504000727e+06 2.770280154e+06 2.770293664e+06 1.055940230e+06 1.854047923e+06 2.583308656e+06 1.259220338e+06 1.825112505e+06 0.88 2.552406813e+06 1.666090727e+06 2.304438666e+06 2.552426134e+06 2.552439698e+06 9.596412826e+05 1.699797811e+06 2.378298746e+06 1.147274867e+06 1.673122961e+06 0.90 2.353926891e+06 1.527729804e+06 2.122663536e+06 2.353943837e+06 2.353956669e+06 8.721431115e+05 1.559404657e+06 2.191552725e+06 1.045508710e+06 1.534793122e+06 0.92 2.172752384e+06 1.401572937e+06 1.956785417e+06 2.172763508e+06 2.172774776e+06 7.925041913e+05 1.431386920e+06 2.021115083e+06 9.528299689e+05 1.408662971e+06 0.94 2.007076983e+06 1.286341961e+06 1.805132931e+06 2.007082745e+06 2.007093200e+06 7.198860438e+05 1.314446854e+06 1.865282763e+06 8.682824998e+05 1.293452728e+06 0.96 1.855310531e+06 1.180915743e+06 1.666245355e+06 1.855316624e+06 1.855327590e+06 6.535578262e+05 1.207449751e+06 1.722557491e+06 7.910245487e+05 1.188036975e+06 0.98 1.716056761e+06 1.084306503e+06 1.538840296e+06 1.716068457e+06 1.716081985e+06 5.928792395e+05 1.109391597e+06 1.591625159e+06 7.203152661e+05 1.091431696e+06 1.00 1.588081668e+06 9.956407751e+05 1.421794010e+06 1.588100365e+06 1.588114886e+06 5.372891958e+05 1.019386878e+06 1.471326867e+06 6.555044407e+05 1.002773001e+06 1.02 1.470303751e+06 9.141494217e+05 1.314107122e+06 1.470323680e+06 1.470337233e+06 4.862884030e+05 9.366579141e+05 1.360636925e+06 5.960179052e+05 9.212854446e+05 1.04 1.361759264e+06 8.391493137e+05 1.214892154e+06 1.361774350e+06 1.361786850e+06 4.394361462e+05 8.605118866e+05 1.258641973e+06 5.413448009e+05 8.462824772e+05 1.06 1.261582685e+06 7.700313390e+05 1.123350360e+06 1.261592407e+06 1.261603371e+06 3.963372971e+05 7.903333104e+05 1.164528665e+06 4.910328716e+05 7.771607941e+05 1.08 1.169004686e+06 7.062573543e+05 1.038782630e+06 1.169009770e+06 1.169019560e+06 3.566420293e+05 7.255736995e+05 1.077573372e+06 4.446780608e+05 7.133752502e+05 1.10 1.083341162e+06 6.473420563e+05 9.605605522e+05 1.083344543e+06 1.083354128e+06 3.200392682e+05 6.657442880e+05 9.971302605e+05 4.019196052e+05 6.544391151e+05 1.12 1.003978891e+06 5.928530725e+05 8.881198306e+05 1.003987160e+06 1.003997742e+06 2.862478665e+05 6.104024185e+05 9.226250559e+05 3.624343563e+05 5.999217323e+05 1.14 9.303742275e+05 5.424009797e+05 8.209588376e+05 9.303878185e+05 9.303994128e+05 2.550165976e+05 5.591522357e+05 8.535438647e+05 3.259323342e+05 5.494381135e+05 1.16 8.620340311e+05 4.956396149e+05 7.586238776e+05 8.620513547e+05 8.620643661e+05 2.261232117e+05 5.116404764e+05 7.894222188e+05 2.921532300e+05 5.026442650e+05 1.18 7.985167280e+05 4.522581982e+05 7.007075872e+05 7.985347274e+05 7.985487701e+05 1.993667140e+05 4.675528636e+05 7.298406658e+05 2.608637011e+05 4.592273620e+05 1.20 7.394224977e+05 4.119715182e+05 6.468467022e+05 7.394388071e+05 7.394524432e+05 1.745664042e+05 4.266044077e+05 6.744234854e+05 2.318532586e+05 4.189033910e+05 1.22 6.843899433e+05 3.745255077e+05 5.967130415e+05 6.844029960e+05 6.844151650e+05 1.515595550e+05 3.885372855e+05 6.228301714e+05 2.049309515e+05 3.814158861e+05 1.24 6.330933711e+05 3.396887069e+05 5.500037247e+05 6.331021272e+05 6.331126278e+05 1.301962268e+05 3.531174658e+05 5.747529449e+05 1.799248915e+05 3.465343652e+05 1.26 5.852348012e+05 3.072501348e+05 5.064440827e+05 5.852403319e+05 5.852496158e+05 1.103403516e+05 3.201317905e+05 5.299102338e+05 1.566779808e+05 3.140504757e+05 1.28 5.405431023e+05 2.770215533e+05 4.657854152e+05 5.405481112e+05 5.405566185e+05 9.186672482e+04 2.893888969e+05 4.880482125e+05 1.350497860e+05 2.837748715e+05 1.30 4.987745241e+05 2.488326727e+05 4.278053403e+05 4.987805058e+05 4.987884576e+05 7.466563157e+04 2.607148462e+05 4.489371464e+05 1.149135589e+05 2.555338963e+05 1.32 4.597080745e+05 2.225257713e+05 3.923000153e+05 4.597145910e+05 4.597222339e+05 5.863807876e+04 2.339497866e+05 4.123671676e+05 9.615321897e+04 2.291709776e+05 1.34 4.231390344e+05 1.979561897e+05 3.590796270e+05 4.231472223e+05 4.231553260e+05 4.496706415e+04 2.089485705e+05 3.781475303e+05 7.866286324e+04 2.045405572e+05 1.36 3.888838265e+05 1.749948548e+05 3.279758181e+05 3.888942346e+05 3.889035720e+05 3.451272129e+04 1.855771191e+05 3.461042700e+05 6.234633400e+04 1.815132853e+05 1.38 3.567744425e+05 1.535232568e+05 2.988348280e+05 3.567871207e+05 3.567980147e+05 2.650985247e+04 1.637134192e+05 3.160794677e+05 4.785203711e+04 1.599713403e+05 1.40 3.266575697e+05 1.334307440e+05 2.715161818e+05 3.266711206e+05 3.266828381e+05 2.037698974e+04 1.432466324e+05 2.879281776e+05 3.667116607e+04 1.398071055e+05 1.42 2.983892967e+05 1.146165807e+05 2.458908684e+05 2.984037266e+05 2.984159595e+05 1.567263095e+04 1.240766222e+05 2.615154811e+05 2.811380963e+04 1.209219234e+05 1.44 2.718392225e+05 9.699034246e+04 2.218381277e+05 2.718541217e+05 2.718663533e+05 1.206083103e+04 1.061115113e+05 2.367190890e+05 2.155954278e+04 1.032251294e+05 1.46 2.468892921e+05 8.046888429e+04 1.992469450e+05 2.469034564e+05 2.469151244e+05 9.285463407e+03 8.926679054e+04 2.134267706e+05 1.653622009e+04 8.663201331e+04 1.48 2.234307035e+05 6.497543079e+04 1.780173973e+05 2.234426131e+05 2.234532423e+05 7.151394220e+03 7.346343119e+04 1.915345036e+05 1.268402874e+04 7.106246024e+04 1.50 2.013630906e+05 5.079047959e+04 1.580565154e+05 2.013706820e+05 2.013798709e+05 5.509334487e+03 5.862965454e+04 1.709465696e+05 9.728794808e+03 5.646041182e+04 1.52 1.805903292e+05 3.950529879e+04 1.392782340e+05 1.805938533e+05 1.806015510e+05 4.245097119e+03 4.578911067e+04 1.515735548e+05 7.461073567e+03 4.415276689e+04 1.54 1.610237029e+05 3.072806932e+04 1.216044454e+05 1.610254782e+05 1.610319434e+05 3.271431180e+03 3.576588786e+04 1.333338240e+05 5.720487762e+03 3.453626794e+04 1.56 1.425849714e+05 2.389916369e+04 1.049628876e+05 1.425864369e+05 1.425918926e+05 2.521369473e+03 2.793979103e+04 1.161531627e+05 4.384388018e+03 2.701854816e+04 1.58 1.252007051e+05 1.858466766e+04 8.928547711e+04 1.252029895e+05 1.252078618e+05 1.943464979e+03 2.182634315e+04 9.996220930e+04 3.358849984e+03 2.113880235e+04 1.60 1.088025797e+05 1.444796228e+04 7.450740268e+04 1.088067326e+05 1.088115185e+05 1.498117347e+03 1.704853452e+04 8.469755078e+04 2.571798450e+03 1.653834236e+04 1.62 9.332849398e+04 1.122762425e+04 6.056896399e+04 9.333427726e+04 9.333906309e+04 1.154850636e+03 1.331374791e+04 7.029946437e+04 1.967887326e+03 1.293785974e+04 1.64 7.872055868e+04 8.720451887e+03 4.810810809e+04 7.872744077e+04 7.873231676e+04 8.902923998e+02 1.039402507e+04 5.672189511e+04 1.504698241e+03 1.011941025e+04 1.66 6.492367690e+04 6.768737692e+03 3.818323599e+04 6.493172627e+04 6.493695707e+04 6.864253704e+02 8.111479230e+03 4.510841853e+04 1.149637547e+03 7.912575068e+03 1.68 5.211775618e+04 5.249862333e+03 3.030484701e+04 5.212633262e+04 5.213174041e+04 5.293372755e+02 6.327202131e+03 3.587435020e+04 8.776263884e+02 6.184603793e+03 1.70 4.163205982e+04 4.068303353e+03 2.404928632e+04 4.163999077e+04 4.164522202e+04 4.083135324e+02 4.932617091e+03 2.852984344e+04 6.693701565e+02 4.831730713e+03 1.72 3.325691257e+04 3.149604765e+03 1.908144875e+04 3.326367380e+04 3.326878271e+04 3.150947391e+02 3.842821534e+03 2.268651336e+04 5.100453308e+02 3.772706146e+03 1.74 2.656483736e+04 2.435714699e+03 1.513587173e+04 2.657059625e+04 2.657558877e+04 2.433049801e+02 2.991490266e+03 1.803634857e+04 3.882586505e+02 2.943791774e+03 1.76 2.121643129e+04 1.881359446e+03 1.200211744e+04 2.122118082e+04 2.122582634e+04 1.880227891e+02 2.326732165e+03 1.433533633e+04 2.952529143e+02 2.295228042e+03 1.78 1.694135761e+04 1.451177971e+03 9.513262823e+03 1.694498631e+04 1.694899374e+04 1.454501619e+02 1.807876868e+03 1.138960481e+04 2.242968345e+02 1.788027233e+03 1.80 1.352399944e+04 1.117639269e+03 7.536826865e+03 1.352653093e+04 1.352978118e+04 1.126570493e+02 1.403163114e+03 9.045180795e+03 1.702156543e+02 1.391607684e+03 1.82 1.079202641e+04 8.592937000e+02 5.967469431e+03 1.079368511e+04 1.079620732e+04 8.738165898e+01 1.087722164e+03 7.179422413e+03 1.290335454e+02 1.081942237e+03 1.84 8.607798111e+03 6.594174049e+02 4.721494449e+03 8.608959164e+03 8.610882647e+03 6.788105279e+01 8.420547994e+02 5.694845862e+03 9.769714990e+01 8.401797954e+02 1.86 6.861823444e+03 5.049804490e+02 3.732658750e+03 6.862726879e+03 6.864164717e+03 5.281737523e+01 6.509087822e+02 4.513967473e+03 7.386791847e+01 6.516005988e+02 1.88 5.466534465e+03 3.858220642e+02 2.948271965e+03 5.467318895e+03 5.468367089e+03 4.116035974e+01 5.023315093e+02 3.575044659e+03 5.575427512e+01 5.046497395e+02 1.90 4.351864907e+03 2.940231110e+02 2.326411389e+03 4.352531384e+03 4.353270476e+03 3.211733607e+01 3.869726433e+02 2.828865279e+03 4.198492359e+01 3.902582360e+02 1.92 3.461733299e+03 2.234150080e+02 1.833709992e+03 3.462268647e+03 3.462767036e+03 2.507894269e+01 2.975088589e+02 2.236196283e+03 3.151348741e+01 3.013100645e+02 1.94 2.751221147e+03 1.691919268e+02 1.443558960e+03 2.751640921e+03 2.751967826e+03 1.957625141e+01 2.282177529e+02 1.765747036e+03 2.354169248e+01 2.322184075e+02 1.96 2.184394662e+03 1.276252282e+02 1.134861362e+03 2.184718262e+03 2.184927309e+03 1.525183206e+01 1.746278354e+02 1.392584087e+03 1.746158402e+01 1.786145647e+02 1.98 1.732485048e+03 9.581986059e+01 8.908429148e+02 1.732729680e+03 1.732858929e+03 1.183225832e+01 1.332422215e+02 1.096820979e+03 1.281109904e+01 1.370785174e+02 2.00 1.372451882e+03 7.152651710e+01 6.981509857e+02 1.372632374e+03 1.372708605e+03 9.108271069e+00 1.013282295e+02 8.625881059e+02 9.239836101e+00 1.049330024e+02 2.02 1.085843275e+03 5.300465339e+01 5.461597766e+02 1.085962194e+03 1.086004049e+03 6.919992566e+00 7.675316132e+01 6.772667283e+02 6.482578981e+00 8.008426122e+01 2.04 8.578837114e+02 3.890680114e+01 4.264166543e+02 8.579422735e+02 8.579625634e+02 5.145481665e+00 5.785589284e+01 5.307862724e+02 4.339326137e+00 6.089668923e+01 2.06 6.767172016e+02 2.819557155e+01 3.322008223e+02 6.767316503e+02 6.767423512e+02 3.691884921e+00 4.334325611e+01 4.151318029e+02 2.659590704e+00 4.609418213e+01 2.08 5.328410202e+02 2.007082217e+01 2.581714556e+02 5.328429484e+02 5.328574014e+02 2.488603480e+00 3.221007447e+01 3.239333891e+02 1.330672923e+00 3.468251032e+01 2.10 4.187170717e+02 1.391637418e+01 2.000866281e+02 4.187244234e+02 4.187489687e+02 1.482024355e+00 2.367637180e+01 2.521227669e+02 2.681742553e-01 2.588825765e+01 2.12 3.283107384e+02 9.258888072e+00 1.545714663e+02 3.283278694e+02 3.283602855e+02 6.314648782e-01 1.713790587e+01 1.956637819e+02 -5.909423598e-01 1.911080975e+01 2.14 2.567917558e+02 5.735734924e+00 1.189602681e+02 2.568182489e+02 2.568548410e+02 -9.394293849e-02 1.212774626e+01 1.513447936e+02 -1.293579905e+00 1.388462240e+01 2.16 2.002964701e+02 3.069923275e+00 9.114359692e+01 2.003303069e+02 2.003684154e+02 -7.176370766e-01 8.285810839e+00 1.166125630e+02 -1.874592224e+00 9.849587430e+00 2.18 1.557367790e+02 1.050556605e+00 6.944748472e+01 1.557733639e+02 1.558111227e+02 -1.257425525e+00 5.335381527e+00 8.943842642e+01 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