# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Mukhopadhyay-S-Dinda-S-K-Singh-S-K-et-al--Ba-Pt # implementation = 2025--Mukhopadhyay-S--Ba-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 2025-12-17 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 nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 3.057460083e+02 nan 0.86 nan nan nan nan nan nan nan nan 2.822000187e+02 nan 0.88 nan nan nan nan nan nan nan nan 2.606423766e+02 nan 0.90 nan nan nan nan nan nan nan nan 2.412410226e+02 nan 0.92 nan nan nan nan nan 1.917750846e+02 nan nan 2.238738480e+02 nan 0.94 nan nan nan nan nan 1.780990736e+02 nan nan 2.081454599e+02 nan 0.96 nan nan nan nan nan 1.654092839e+02 nan nan 1.935864849e+02 nan 0.98 nan nan nan nan nan 1.535722752e+02 nan nan 1.798348015e+02 nan 1.00 nan nan nan nan nan 1.424466597e+02 nan nan 1.669089511e+02 nan 1.02 nan nan nan nan nan 1.320780504e+02 nan nan 1.550644077e+02 nan 1.04 nan nan nan 3.031984493e+02 3.033297746e+02 1.226053743e+02 nan nan 1.443775161e+02 2.044906173e+02 1.06 nan 1.902050364e+02 nan 2.843367098e+02 2.843663411e+02 1.141536600e+02 1.938489474e+02 nan 1.346997689e+02 1.911579338e+02 1.08 nan 1.779315513e+02 nan 2.666569089e+02 2.665599610e+02 1.067671256e+02 1.815853723e+02 nan 1.258889332e+02 1.788581504e+02 1.10 nan 1.665963768e+02 nan 2.501397576e+02 2.499540635e+02 1.002040663e+02 1.700976925e+02 nan 1.178435858e+02 1.674706091e+02 1.12 nan 1.561063880e+02 nan 2.349223337e+02 2.347506910e+02 9.401547303e+01 1.593948775e+02 nan 1.104146287e+02 1.567697640e+02 1.14 nan 1.463971796e+02 nan 2.210005047e+02 2.209605491e+02 8.793693309e+01 1.494562402e+02 nan 1.034002649e+02 1.466756471e+02 1.16 nan 1.373642284e+02 nan 2.081406982e+02 2.082803728e+02 8.203189591e+01 1.401473162e+02 1.937112409e+02 9.667004348e+01 1.373332738e+02 1.18 1.953803168e+02 1.288992553e+02 1.764029599e+02 1.960664072e+02 1.963120478e+02 7.648857600e+01 1.313507678e+02 1.821539511e+02 9.023396350e+01 1.289095929e+02 1.20 1.838031302e+02 1.209635245e+02 1.660314653e+02 1.846592280e+02 1.848703521e+02 7.140667001e+01 1.230866508e+02 1.716540708e+02 8.417191025e+01 1.213339699e+02 1.22 1.734095731e+02 1.135534226e+02 1.567033932e+02 1.739634140e+02 1.740406093e+02 6.676596179e+01 1.154430171e+02 1.620732966e+02 7.853833812e+01 1.143631635e+02 1.24 1.640329834e+02 1.066505135e+02 1.480840268e+02 1.640100098e+02 1.639359625e+02 6.249374908e+01 1.084625790e+02 1.531590701e+02 7.334233801e+01 1.078329595e+02 1.26 1.552989566e+02 1.002323657e+02 1.398963490e+02 1.547331868e+02 1.545466243e+02 5.850772907e+01 1.021199095e+02 1.446690228e+02 6.857725521e+01 1.016688109e+02 1.28 1.468850949e+02 9.426872162e+01 1.320779035e+02 1.460373146e+02 1.458017259e+02 5.476020076e+01 9.635450037e+01 1.364646876e+02 6.422388678e+01 9.575103012e+01 1.30 1.386746297e+02 8.870717932e+01 1.246477523e+02 1.378958119e+02 1.376858250e+02 5.121888305e+01 9.105974553e+01 1.285437844e+02 6.024113255e+01 8.994613314e+01 1.32 1.307200132e+02 8.345989874e+01 1.175842045e+02 1.303251794e+02 1.302097618e+02 4.783378492e+01 8.605480083e+01 1.210077579e+02 5.657256816e+01 8.424690501e+01 1.34 1.231491653e+02 7.847119013e+01 1.108434443e+02 1.232871345e+02 1.233066861e+02 4.456680656e+01 8.115062409e+01 1.139811420e+02 5.316250977e+01 7.880201677e+01 1.36 1.160757956e+02 7.374967231e+01 1.043989291e+02 1.166666290e+02 1.168207108e+02 4.144046142e+01 7.626960930e+01 1.075198157e+02 4.997201709e+01 7.380293042e+01 1.38 1.095456685e+02 6.935031504e+01 9.827255066e+01 1.103480185e+02 1.105996677e+02 3.854028373e+01 7.148121183e+01 1.015849165e+02 4.698074604e+01 6.934645408e+01 1.40 1.035559816e+02 6.530596414e+01 9.254347055e+01 1.042924896e+02 1.045750445e+02 3.596354567e+01 6.693293063e+01 9.610263511e+01 4.417775904e+01 6.538569531e+01 1.42 9.806446024e+01 6.157453902e+01 8.732079329e+01 9.853187498e+01 9.876379632e+01 3.376668499e+01 6.273736955e+01 9.101784681e+01 4.154400635e+01 6.178801152e+01 1.44 9.301336258e+01 5.807960000e+01 8.266554946e+01 9.312144911e+01 9.323655238e+01 3.193752549e+01 5.891846103e+01 8.629708692e+01 3.904187704e+01 5.842742553e+01 1.46 8.834341229e+01 5.475016727e+01 7.851493729e+01 8.809985104e+01 8.807267287e+01 3.038745560e+01 5.543350953e+01 8.189412076e+01 3.662304762e+01 5.524434893e+01 1.48 8.397066065e+01 5.154172302e+01 7.470051694e+01 8.346421351e+01 8.331351614e+01 2.897586518e+01 5.222111427e+01 7.773256246e+01 3.424901689e+01 5.224106152e+01 1.50 7.979312296e+01 4.845469780e+01 7.104689988e+01 7.916870227e+01 7.893965084e+01 2.756003086e+01 4.924636728e+01 7.372776296e+01 3.191291235e+01 4.943051929e+01 1.52 7.573278529e+01 4.552666503e+01 6.746447751e+01 7.514152737e+01 7.488089308e+01 2.605267027e+01 4.650739956e+01 6.982485076e+01 2.964783196e+01 4.679414664e+01 1.54 7.176294478e+01 4.279302133e+01 6.394384575e+01 7.131121607e+01 7.105586308e+01 2.444685365e+01 4.400618174e+01 6.601339511e+01 2.750832360e+01 4.427593075e+01 1.56 6.789350209e+01 4.025621868e+01 6.049412815e+01 6.762780528e+01 6.740971433e+01 2.279012909e+01 4.171904887e+01 6.230834764e+01 2.553930571e+01 4.180225366e+01 1.58 6.414836272e+01 3.788740132e+01 5.710751753e+01 6.407597651e+01 6.392924216e+01 2.113631339e+01 3.958724599e+01 5.873593043e+01 2.375711276e+01 3.931968816e+01 1.60 6.055458811e+01 3.565385616e+01 5.377802126e+01 6.066875514e+01 6.062654353e+01 1.951962730e+01 3.753139403e+01 5.533007951e+01 2.214880172e+01 3.682185022e+01 1.62 5.714253285e+01 3.353684486e+01 5.054325650e+01 5.742830549e+01 5.750976717e+01 1.796472888e+01 3.547861452e+01 5.212679063e+01 2.067921725e+01 3.435899777e+01 1.64 5.393622145e+01 3.152431274e+01 4.747689814e+01 5.436478933e+01 5.456317951e+01 1.649612680e+01 3.339345429e+01 4.915588170e+01 1.930864512e+01 3.201632109e+01 1.66 5.094350229e+01 2.960206363e+01 4.464525074e+01 5.146800647e+01 5.175028793e+01 1.513966728e+01 3.129040476e+01 4.642913911e+01 1.801017815e+01 2.987724763e+01 1.68 4.815022064e+01 2.776251568e+01 4.207309193e+01 4.871231120e+01 4.903118531e+01 1.391767585e+01 2.922137019e+01 4.393467265e+01 1.677727179e+01 2.798886126e+01 1.70 4.554301822e+01 2.601659754e+01 3.973211520e+01 4.607610711e+01 4.638364581e+01 1.283638018e+01 2.724795040e+01 4.164806750e+01 1.561549141e+01 2.634792830e+01 1.72 4.312788160e+01 2.438841284e+01 3.756480739e+01 4.355697389e+01 4.381277956e+01 1.188124849e+01 2.541576270e+01 3.954452704e+01 1.453027908e+01 2.489864901e+01 1.74 4.092754504e+01 2.289415411e+01 3.552703175e+01 4.117169112e+01 4.134573097e+01 1.102476424e+01 2.374034602e+01 3.759787814e+01 1.352149714e+01 2.355737543e+01 1.76 3.895119204e+01 2.152143991e+01 3.360708875e+01 3.894103594e+01 3.901489212e+01 1.023582239e+01 2.221191069e+01 3.577516437e+01 1.258370289e+01 2.224842023e+01 1.78 3.716399491e+01 2.023171168e+01 3.181704897e+01 3.687250334e+01 3.684037425e+01 9.486587477e+00 2.081026331e+01 3.403613656e+01 1.170976925e+01 2.092814384e+01 1.80 3.548985690e+01 1.898377520e+01 3.017781659e+01 3.495469209e+01 3.482357299e+01 8.760957543e+00 1.951462143e+01 3.234083348e+01 1.089317834e+01 1.958989169e+01 1.82 3.384285211e+01 1.775913888e+01 2.870393957e+01 3.316415262e+01 3.295314478e+01 8.058746092e+00 1.830600928e+01 3.066162211e+01 1.012637261e+01 1.825299742e+01 1.84 3.216672048e+01 1.656866571e+01 2.738793118e+01 3.147608244e+01 3.121236574e+01 7.390655193e+00 1.716418757e+01 2.899327587e+01 9.399197366e+00 1.694950500e+01 1.86 3.045487630e+01 1.543571689e+01 2.618883205e+01 2.987070309e+01 2.958333733e+01 6.765704715e+00 1.606609555e+01 2.735012159e+01 8.700704386e+00 1.571306641e+01 1.88 2.873572374e+01 1.437517547e+01 2.503737537e+01 2.833342980e+01 2.804853391e+01 6.180806809e+00 1.498865679e+01 2.575283739e+01 8.020581465e+00 1.456883630e+01 1.90 2.704882681e+01 1.338245931e+01 2.385848942e+01 2.685283692e+01 2.659058055e+01 5.620596719e+00 1.391623381e+01 2.421676821e+01 7.349827805e+00 1.352799088e+01 1.92 2.542825136e+01 1.243512679e+01 2.259884225e+01 2.542062385e+01 2.519469677e+01 5.064498904e+00 1.284996396e+01 2.274855172e+01 6.682751678e+00 1.259100340e+01 1.94 2.389379817e+01 1.150491329e+01 2.124452331e+01 2.403356846e+01 2.385352709e+01 4.495753221e+00 1.180928809e+01 2.134883388e+01 6.018618591e+00 1.174812307e+01 1.96 2.244843111e+01 1.057416151e+01 1.982070858e+01 2.269249423e+01 2.256757474e+01 3.908018633e+00 1.082271952e+01 2.001684541e+01 5.359737238e+00 1.098124352e+01 1.98 2.108727923e+01 9.644645922e+00 1.837463202e+01 2.140107894e+01 2.134235514e+01 3.304418502e+00 9.915903812e+00 1.875509684e+01 4.707031823e+00 1.027143354e+01 2.00 1.980771832e+01 8.734946544e+00 1.695577565e+01 2.016382293e+01 2.018312316e+01 2.692983775e+00 9.103235005e+00 1.756847924e+01 4.057434298e+00 9.605698135e+00 2.02 1.860830392e+01 7.870400122e+00 1.560455970e+01 1.898163913e+01 1.908819782e+01 2.084382896e+00 8.385243356e+00 1.645779666e+01 3.404461449e+00 8.976478604e+00 2.04 1.748502624e+01 7.071812276e+00 1.434854251e+01 1.785067205e+01 1.804687636e+01 1.491106580e+00 7.750366700e+00 1.541706473e+01 2.741495255e+00 8.377758951e+00 2.06 1.643117889e+01 6.347925703e+00 1.320333104e+01 1.676393057e+01 1.704123055e+01 9.258099532e-01 7.180251238e+00 1.443509319e+01 2.065455350e+00 7.803077790e+00 2.08 1.543984787e+01 5.692701285e+00 1.217460294e+01 1.571452045e+01 1.605144861e+01 3.994734907e-01 6.656094049e+00 1.349859821e+01 1.378915329e+00 7.246472110e+00 2.10 1.450424638e+01 5.087532088e+00 1.126017117e+01 1.469862669e+01 1.506322548e+01 -7.867149538e-02 6.161617362e+00 1.259610109e+01 6.904611764e-01 6.703020199e+00 2.12 1.361548993e+01 4.508506553e+00 1.044843085e+01 1.371541394e+01 1.407147757e+01 -5.020735394e-01 5.683932974e+00 1.171938737e+01 1.265197232e-02 6.166854633e+00 2.14 1.276015825e+01 3.935157173e+00 9.718179696e+00 1.276526493e+01 1.308007481e+01 -8.662709626e-01 5.213838663e+00 1.086303854e+01 -6.409430782e-01 5.628517428e+00 2.16 1.192233773e+01 3.356322106e+00 9.042440946e+00 1.184870285e+01 1.209899408e+01 -1.165667298e+00 4.744910099e+00 1.002463571e+01 -1.257109980e+00 5.076101512e+00 2.18 1.108826876e+01 2.771637904e+00 8.395871463e+00 1.096566904e+01 1.113988064e+01 -1.387718505e+00 4.271495190e+00 9.205827978e+00 -1.821790995e+00 4.498396179e+00 2.20 1.025200232e+01 2.189262988e+00 7.761875481e+00 1.011582002e+01 1.021262908e+01 -1.506754811e+00 3.786905257e+00 8.413342637e+00 -2.316376142e+00 3.889020006e+00 2.22 9.418191832e+00 1.621455455e+00 7.134532056e+00 9.299619967e+00 9.324364241e+00 -1.480289675e+00 3.283361785e+00 7.658434027e+00 -2.712832267e+00 3.248424091e+00 2.24 8.600155310e+00 1.079843364e+00 6.515299966e+00 8.518587289e+00 8.479545006e+00 -1.246960596e+00 2.753299634e+00 6.954408821e+00 -2.968670678e+00 2.582292468e+00 2.26 7.816058312e+00 5.719089473e-01 5.907350250e+00 7.775357315e+00 7.681059824e+00 -7.239614060e-01 2.190996141e+00 6.313335528e+00 -3.021560196e+00 1.899057324e+00 2.28 7.083819381e+00 9.954017075e-02 5.311491535e+00 7.073720224e+00 6.931684597e+00 1.987565007e-01 1.594115526e+00 5.742366443e+00 -2.783143165e+00 1.206807346e+00 2.30 6.417288049e+00 -3.398783043e-01 4.725856312e+00 6.418952166e+00 6.235969279e+00 1.669140926e+00 9.657028607e-01 5.241412729e+00 -2.132032442e+00 5.119225940e-01 2.32 5.824672782e+00 -7.499623223e-01 4.148537306e+00 5.816809300e+00 5.599518544e+00 3.888211362e+00 3.154618281e-01 4.802613031e+00 -9.049954068e-01 -1.797485262e-01 2.34 5.307869239e+00 -1.132042919e+00 3.580472011e+00 5.271284198e+00 5.026519371e+00 7.128139181e+00 -3.411420489e-01 4.410602489e+00 1.114766718e+00 -8.607522158e-01 2.36 4.862033138e+00 -1.482050465e+00 3.026704830e+00 4.782255894e+00 4.517288713e+00 1.175241435e+01 -9.844026652e-01 4.044506067e+00 4.213678398e+00 -1.519917811e+00 2.38 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