# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-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 nan nan nan nan nan 0.68 nan nan nan nan nan 9.700647217e+06 nan nan nan nan 0.70 nan nan nan nan nan 8.710474260e+06 nan nan nan nan 0.72 nan nan nan nan nan 7.829931540e+06 nan nan 9.281826472e+06 nan 0.74 nan nan nan nan nan 7.044521453e+06 nan nan 8.371822639e+06 nan 0.76 nan nan nan nan nan 6.342021094e+06 nan nan 7.557498843e+06 nan 0.78 nan 9.828257423e+06 nan nan nan 5.711998659e+06 nan nan 6.826850103e+06 9.854372633e+06 0.80 nan 8.939500811e+06 nan nan nan 5.145553084e+06 9.112213748e+06 nan 6.169640187e+06 8.965852632e+06 0.82 nan 8.137407477e+06 nan nan nan 4.635068681e+06 8.298489087e+06 nan 5.577056466e+06 8.163974924e+06 0.84 nan 7.411850426e+06 nan nan nan 4.173967709e+06 7.562376351e+06 nan 5.041536573e+06 7.438630209e+06 0.86 nan 6.754099917e+06 9.449496084e+06 nan nan 3.756605243e+06 6.895030546e+06 9.761119220e+06 4.556579086e+06 6.781083662e+06 0.88 9.639699192e+06 6.156592779e+06 8.665324833e+06 9.639774630e+06 9.639827379e+06 3.378071906e+06 6.288810223e+06 8.955556101e+06 4.116534878e+06 6.183750728e+06 0.90 8.859789860e+06 5.612772991e+06 7.951011521e+06 8.859855977e+06 8.859905882e+06 3.034115742e+06 5.737019485e+06 8.221723440e+06 3.716481691e+06 5.640072954e+06 0.92 8.147846792e+06 5.116892436e+06 7.299135461e+06 8.147890004e+06 8.147933785e+06 2.721038985e+06 5.233840724e+06 7.551942817e+06 3.352131473e+06 5.144317209e+06 0.94 7.496777528e+06 4.663932057e+06 6.703133750e+06 7.496799650e+06 7.496840260e+06 2.435548290e+06 4.774177935e+06 6.939527133e+06 3.019729196e+06 4.691457984e+06 0.96 6.900338200e+06 4.249489329e+06 6.157270662e+06 6.900361664e+06 6.900404320e+06 2.174773050e+06 4.353575323e+06 6.378593266e+06 2.715968933e+06 4.277075822e+06 0.98 6.353046250e+06 3.869685310e+06 5.656510703e+06 6.353091822e+06 6.353144612e+06 1.936198252e+06 3.968090132e+06 5.863981227e+06 2.437940964e+06 3.897306537e+06 1.00 5.850056171e+06 3.521089852e+06 5.196441370e+06 5.850129362e+06 5.850186098e+06 1.717619985e+06 3.614244901e+06 5.391140432e+06 2.183091518e+06 3.548757663e+06 1.02 5.387121369e+06 3.200682488e+06 4.773138379e+06 5.387199446e+06 5.387252396e+06 1.517076964e+06 3.288985633e+06 4.956043287e+06 1.949165429e+06 3.228383837e+06 1.04 4.960457505e+06 2.905780432e+06 4.383116770e+06 4.960516529e+06 4.960565360e+06 1.332837966e+06 2.989591483e+06 4.555103194e+06 1.734156095e+06 2.933488744e+06 1.06 4.566665765e+06 2.633991487e+06 4.023239819e+06 4.566703681e+06 4.566746489e+06 1.163350742e+06 2.713645248e+06 4.185126196e+06 1.536287057e+06 2.661703036e+06 1.08 4.202725051e+06 2.383202172e+06 3.690762191e+06 4.202744718e+06 4.202782931e+06 1.007240985e+06 2.458992789e+06 3.843270632e+06 1.353971108e+06 2.410885611e+06 1.10 3.865948923e+06 2.151506408e+06 3.383216072e+06 3.865961907e+06 3.865999332e+06 8.632865974e+05 2.223714467e+06 3.527000280e+06 1.185791045e+06 2.179124736e+06 1.12 3.553929222e+06 1.937205975e+06 3.098385357e+06 3.553961493e+06 3.554002873e+06 7.303829741e+05 2.006071614e+06 3.234059935e+06 1.030477373e+06 1.964728929e+06 1.14 3.264531072e+06 1.738771266e+06 2.834300059e+06 3.264584334e+06 3.264629727e+06 6.075430396e+05 1.804509350e+06 2.962431479e+06 8.868908463e+05 1.766186042e+06 1.16 2.995817806e+06 1.554842594e+06 2.589178348e+06 2.995885798e+06 2.995936797e+06 4.938935711e+05 1.617640074e+06 2.710290812e+06 7.540087465e+05 1.582144920e+06 1.18 2.746055267e+06 1.384199214e+06 2.361420321e+06 2.746125942e+06 2.746181025e+06 3.886448144e+05 1.444229319e+06 2.475990558e+06 6.309142694e+05 1.411376749e+06 1.20 2.513673207e+06 1.225720708e+06 2.149599288e+06 2.513737241e+06 2.513790742e+06 2.958207245e+05 1.283157597e+06 2.258055092e+06 5.167803638e+05 1.252765822e+06 1.22 2.297252241e+06 1.078409007e+06 1.952426301e+06 2.297303461e+06 2.297351199e+06 2.250556961e+05 1.133412087e+06 2.055147035e+06 4.108567010e+05 1.105304614e+06 1.24 2.095513190e+06 9.413547914e+05 1.768711671e+06 2.095547496e+06 2.095588676e+06 1.715052549e+05 9.940733852e+05 1.866057514e+06 3.147182635e+05 9.680876550e+05 1.26 1.907285649e+06 8.137291457e+05 1.597376479e+06 1.907307261e+06 1.907343663e+06 1.308962518e+05 8.643040405e+05 1.689680522e+06 2.397426606e+05 8.402963879e+05 1.28 1.731504629e+06 6.947925112e+05 1.437443790e+06 1.731524200e+06 1.731557556e+06 1.000376231e+05 7.433522231e+05 1.525019026e+06 1.828472424e+05 7.211868910e+05 1.30 1.567212694e+06 5.838758241e+05 1.288040064e+06 1.567236112e+06 1.567267293e+06 7.654818725e+04 6.305345271e+05 1.371170606e+06 1.396059867e+05 6.100768380e+05 1.32 1.413541783e+06 4.803593381e+05 1.148364537e+06 1.413567321e+06 1.413597298e+06 5.864056860e+04 5.252228492e+05 1.227310840e+06 1.066945524e+05 5.063510185e+05 1.34 1.269687688e+06 3.836745968e+05 1.017671483e+06 1.269719824e+06 1.269751628e+06 4.496706415e+04 4.268468423e+05 1.092690403e+06 8.161187151e+04 4.094374424e+05 1.36 1.134929266e+06 2.977254937e+05 8.952995005e+05 1.134970161e+06 1.135006837e+06 3.451272129e+04 3.354975462e+05 9.666258677e+05 6.247294850e+04 3.205116221e+05 1.38 1.008606505e+06 2.308555100e+05 7.806445073e+05 1.008656355e+06 1.008699175e+06 2.650985247e+04 2.609499262e+05 8.484968304e+05 4.785203711e+04 2.495203723e+05 1.40 8.901171077e+05 1.791391603e+05 6.731545981e+05 8.901704064e+05 8.902164807e+05 2.037698974e+04 2.031391073e+05 7.377338270e+05 3.667116607e+04 1.944327694e+05 1.42 7.788956472e+05 1.390964552e+05 5.723228813e+05 7.789524182e+05 7.790005321e+05 1.567263095e+04 1.582557573e+05 6.338067412e+05 2.811380963e+04 1.516346439e+05 1.44 6.744297763e+05 1.080632759e+05 4.776748348e+05 6.744884046e+05 6.745365210e+05 1.206083103e+04 1.233722135e+05 5.362350755e+05 2.155954278e+04 1.183471480e+05 1.46 5.762556560e+05 8.399214640e+04 3.887742116e+05 5.763113953e+05 5.763572982e+05 9.285463407e+03 9.623425103e+04 4.445778361e+05 1.653622009e+04 9.242813654e+04 1.48 4.839457800e+05 6.530681100e+04 3.082065329e+05 4.839926417e+05 4.840344581e+05 7.151394220e+03 7.510188033e+04 3.584270656e+05 1.268402874e+04 7.222346009e+04 1.50 3.971057704e+05 5.079047959e+04 2.439368891e+05 3.971356225e+05 3.971717700e+05 5.509334487e+03 5.863295768e+04 2.841464779e+05 9.728794808e+03 5.646041182e+04 1.52 3.173341216e+05 3.950529879e+04 1.931932984e+05 3.173467240e+05 3.173743075e+05 4.245097119e+03 4.578911067e+04 2.254113895e+05 7.461073567e+03 4.415276689e+04 1.54 2.527901308e+05 3.072806932e+04 1.530931459e+05 2.527954692e+05 2.528149998e+05 3.271431180e+03 3.576588786e+04 1.789217721e+05 5.720487762e+03 3.453626794e+04 1.56 2.014954879e+05 2.389916369e+04 1.213777438e+05 2.014992048e+05 2.015131059e+05 2.521369473e+03 2.793979103e+04 1.420930356e+05 4.384388018e+03 2.701854816e+04 1.58 1.606939183e+05 1.858466766e+04 9.627311833e+04 1.606988219e+05 1.607092985e+05 1.943464979e+03 2.182634315e+04 1.128935462e+05 3.358849984e+03 2.113880235e+04 1.60 1.282116338e+05 1.444796228e+04 7.638423132e+04 1.282191718e+05 1.282278603e+05 1.498117347e+03 1.704853452e+04 8.972671377e+04 2.571798450e+03 1.653834236e+04 1.62 1.023344381e+05 1.122762425e+04 6.061569229e+04 1.023433061e+05 1.023506437e+05 1.154850636e+03 1.331374791e+04 7.133357019e+04 1.967887326e+03 1.293785974e+04 1.64 8.170596770e+04 8.720451887e+03 4.810810809e+04 8.171488148e+04 8.172119618e+04 8.902923998e+02 1.039402507e+04 5.672189511e+04 1.504698241e+03 1.011941025e+04 1.66 6.525068329e+04 6.768737692e+03 3.818323599e+04 6.525948985e+04 6.526521256e+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 -2.359838189e+00 6.727776011e+00 2.20 1.206465935e+02 -4.823767051e-01 5.255479628e+01 1.206826553e+02 1.207188015e+02 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