# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Cr-Mn # implementation = 2025--Sharifi-H--Cu-Cr-Mn--LAMMPS--ipr1 # composition = CuMn3 # 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 2025-07-01 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 1.241151847e+03 nan nan 0.92 1.116556440e+03 nan nan 0.94 1.002052199e+03 nan nan 0.96 8.978803231e+02 nan nan 0.98 8.037793486e+02 1.085695276e+03 nan 1.00 7.191962315e+02 9.901039227e+02 nan 1.02 6.434259844e+02 9.001235794e+02 1.130322617e+03 1.04 5.757020446e+02 8.164786558e+02 1.027805590e+03 1.06 5.152529960e+02 7.394261993e+02 9.331805317e+02 1.08 4.613365940e+02 6.689167290e+02 8.464416084e+02 1.10 4.132587017e+02 6.047076223e+02 7.673350853e+02 1.12 3.703823967e+02 5.464419953e+02 6.954488382e+02 1.14 3.321308415e+02 4.937027988e+02 6.302820147e+02 1.16 2.979863381e+02 4.460492057e+02 5.713037701e+02 1.18 2.674871760e+02 4.030404113e+02 5.179821204e+02 1.20 2.402233548e+02 3.642506279e+02 4.698022796e+02 1.22 2.158318137e+02 3.292779608e+02 4.262776568e+02 1.24 1.939916999e+02 2.977491130e+02 3.869557989e+02 1.26 1.750424359e+02 2.693213004e+02 3.514209187e+02 1.28 1.602611254e+02 2.436823461e+02 3.192941746e+02 1.30 1.477425250e+02 2.205496234e+02 2.902325310e+02 1.32 1.362648224e+02 1.996677793e+02 2.639267648e+02 1.34 1.252699367e+02 1.811998123e+02 2.400990274e+02 1.36 1.145714477e+02 1.652584363e+02 2.185002149e+02 1.38 1.041725841e+02 1.510555297e+02 1.989073137e+02 1.40 9.415726567e+01 1.381096774e+02 1.811208354e+02 1.42 8.462851115e+01 1.261507578e+02 1.649624035e+02 1.44 7.567673357e+01 1.150339914e+02 1.502725202e+02 1.46 6.736620167e+01 1.046846475e+02 1.369085322e+02 1.48 5.973196512e+01 9.506359898e+01 1.247427820e+02 1.50 5.278230587e+01 8.614679075e+01 1.136609119e+02 1.52 4.650386542e+01 7.791429171e+01 1.035611443e+02 1.54 4.096706702e+01 7.061070539e+01 9.475209893e+01 1.56 3.644889270e+01 6.505615687e+01 8.842137787e+01 1.58 3.264763565e+01 6.053990841e+01 8.347596947e+01 1.60 2.931998128e+01 5.651026038e+01 7.907450849e+01 1.62 2.631761568e+01 5.266642271e+01 7.476242941e+01 1.64 2.355422499e+01 4.886682707e+01 7.033181473e+01 1.66 2.098271739e+01 4.506624494e+01 6.572470257e+01 1.68 1.857969418e+01 4.127361631e+01 6.096783493e+01 1.70 1.633514730e+01 3.752452481e+01 5.612978520e+01 1.72 1.424582332e+01 3.386393310e+01 5.129386273e+01 1.74 1.231110710e+01 3.033595057e+01 4.654190168e+01 1.76 1.053058384e+01 2.697832051e+01 4.194540906e+01 1.78 8.902759676e+00 2.382000530e+01 3.756157654e+01 1.80 7.424449652e+00 2.088062404e+01 3.343225193e+01 1.82 6.090609247e+00 1.817101437e+01 2.958471899e+01 1.84 4.894545032e+00 1.569442350e+01 2.603349100e+01 1.86 3.828268313e+00 1.344791562e+01 2.278249597e+01 1.88 2.882888884e+00 1.142378779e+01 1.982731544e+01 1.90 2.048993532e+00 9.610878347e+00 1.715729743e+01 1.92 1.316980703e+00 7.995681914e+00 1.475742177e+01 1.94 6.773374217e-01 6.563309432e+00 1.260986756e+01 1.96 1.208551694e-01 5.298251202e+00 1.069525650e+01 1.98 -3.612116518e-01 4.184968190e+00 8.993625148e+00 2.00 -7.770386420e-01 3.208347950e+00 7.485178416e+00 2.02 -1.134167422e+00 2.354025417e+00 6.150831385e+00 2.04 -1.439492807e+00 1.608590789e+00 4.972574118e+00 2.06 -1.699279555e+00 9.597079057e-01 3.933695656e+00 2.08 -1.919133499e+00 3.961642522e-01 3.018899610e+00 2.10 -2.104029026e+00 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-2.559146949e+00 -2.621453287e+00 -2.678324056e+00 2.48 -2.515616999e+00 -2.612559247e+00 -2.704441669e+00 2.50 -2.469765365e+00 -2.598322345e+00 -2.720636724e+00 2.52 -2.421948145e+00 -2.579444995e+00 -2.728114564e+00 2.54 -2.372480229e+00 -2.556545890e+00 -2.727957935e+00 2.56 -2.321639942e+00 -2.530169629e+00 -2.721139629e+00 2.58 -2.269674845e+00 -2.500795809e+00 -2.708534437e+00 2.60 -2.216806708e+00 -2.468846961e+00 -2.690929420e+00 2.62 -2.163235821e+00 -2.434695460e+00 -2.669032700e+00 2.64 -2.109144572e+00 -2.398669511e+00 -2.643480903e+00 2.66 -2.054700269e+00 -2.361058333e+00 -2.614845422e+00 2.68 -2.000057273e+00 -2.322116632e+00 -2.583637669e+00 2.70 -1.945358537e+00 -2.282068466e+00 -2.550313490e+00 2.72 -1.890736704e+00 -2.241110613e+00 -2.515276950e+00 2.74 -1.836314882e+00 -2.199415518e+00 -2.478883723e+00 2.76 -1.782207227e+00 -2.157133944e+00 -2.441444358e+00 2.78 -1.728519422e+00 -2.114397383e+00 -2.403227730e+00 2.80 -1.675349083e+00 -2.071320326e+00 -2.364464991e+00 2.82 -1.622786143e+00 -2.028002424e+00 -2.325354324e+00 2.84 -1.570906845e+00 -1.984530555e+00 -2.286066700e+00 2.86 -1.519416411e+00 -1.940980797e+00 -2.246752614e+00 2.88 -1.467361738e+00 -1.897420278e+00 -2.207549371e+00 2.90 -1.417583199e+00 -1.853908841e+00 -2.168587920e+00 2.92 -1.369185194e+00 -1.810500499e+00 -2.129997514e+00 2.94 -1.321793177e+00 -1.767244641e+00 -2.091906012e+00 2.96 -1.275449327e+00 -1.724186982e+00 -2.054433784e+00 2.98 -1.230189657e+00 -1.681370258e+00 -2.017680604e+00 3.00 -1.186044131e+00 -1.638834709e+00 -1.981707630e+00 3.02 -1.143036839e+00 -1.596602827e+00 -1.946519808e+00 3.04 -1.101186226e+00 -1.554498295e+00 -1.912056004e+00 3.06 -1.060505406e+00 -1.512402365e+00 -1.878192921e+00 3.08 -1.021002552e+00 -1.471322196e+00 -1.844764109e+00 3.10 -9.826813550e-01 -1.430711457e+00 -1.811589245e+00 3.12 -9.455415500e-01 -1.390585402e+00 -1.778504675e+00 3.14 -9.095794843e-01 -1.350970574e+00 -1.745386451e+00 3.16 -8.747886961e-01 -1.311891907e+00 -1.712160981e+00 3.18 -8.411604804e-01 -1.273372802e+00 -1.678803588e+00 3.20 -8.086844076e-01 -1.235435211e+00 -1.645328831e+00 3.22 -7.773487697e-01 -1.198099712e+00 -1.611777586e+00 3.24 -7.471409387e-01 -1.161385589e+00 -1.578204855e+00 3.26 -7.180476294e-01 -1.125310889e+00 -1.544670472e+00 3.28 -6.900550783e-01 -1.089892474e+00 -1.511233215e+00 3.30 -6.631491598e-01 -1.055146067e+00 -1.477947766e+00 3.32 -6.373154713e-01 -1.021086271e+00 -1.444863583e+00 3.34 -6.125394272e-01 -9.877265870e-01 -1.412024839e+00 3.36 -5.888063993e-01 -9.550793986e-01 -1.379470798e+00 3.38 -5.661019394e-01 -9.231559474e-01 -1.347236294e+00 3.40 -5.444121105e-01 -8.919662788e-01 -1.315352173e+00 3.42 -5.237239452e-01 -8.615191662e-01 -1.283845654e+00 3.44 -5.040260409e-01 -8.318220136e-01 -1.252740633e+00 3.46 -4.853092931e-01 -8.028807409e-01 -1.222057933e+00 3.48 -4.675677643e-01 -7.746996591e-01 -1.191761298e+00 3.50 -4.507996802e-01 -7.472813456e-01 -1.160526786e+00 3.52 -4.350085400e-01 -7.206265287e-01 -1.124749190e+00 3.54 -4.202043167e-01 -6.947339947e-01 -1.090258604e+00 3.56 -4.064046992e-01 -6.696005250e-01 -1.062272929e+00 3.58 -3.936362834e-01 -6.452208731e-01 -1.034776963e+00 3.60 -3.819355292e-01 -6.215877848e-01 -1.007775063e+00 3.62 -3.713491518e-01 -5.986920646e-01 -9.812699755e-01 3.64 -3.619333655e-01 -5.765226847e-01 -9.552629789e-01 3.66 -3.537510222e-01 -5.550669347e-01 -9.297540288e-01 3.68 -3.468651718e-01 -5.343106036e-01 -9.047419022e-01 3.70 -3.413270065e-01 -5.142381872e-01 -8.802243465e-01 3.72 -3.371558421e-01 -4.948331131e-01 -8.561982320e-01 3.74 -3.343094681e-01 -4.760779744e-01 -8.326597071e-01 3.76 -3.326461764e-01 -4.579547656e-01 -8.096043581e-01 3.78 -3.318864357e-01 -4.404451134e-01 -7.870273689e-01 3.80 -3.315921504e-01 -4.235304961e-01 -7.649236802e-01 3.82 -3.311890455e-01 -4.071924485e-01 -7.432881427e-01 3.84 -3.300509323e-01 -3.914127460e-01 -7.221156609e-01 3.86 -3.276343624e-01 -3.761735657e-01 -7.014013201e-01 3.88 -3.236116232e-01 -3.614576202e-01 -6.811404935e-01 3.90 -3.179363518e-01 -3.472482627e-01 -6.613289207e-01 3.92 -3.108119689e-01 -3.335295607e-01 -6.419627556e-01 3.94 -3.025908057e-01 -3.202863370e-01 -6.230385782e-01 3.96 -2.936612749e-01 -3.075041791e-01 -6.045533710e-01 3.98 -2.843668614e-01 -2.951694185e-01 -5.865044597e-01 4.00 -2.749692604e-01 -2.832690829e-01 -5.688894233e-01 4.02 -2.656554154e-01 -2.717908260e-01 -5.517059786e-01 4.04 -2.546986777e-01 -2.607228416e-01 -5.349518483e-01 4.06 -2.394141152e-01 -2.500537692e-01 -5.186246224e-01 4.08 -2.228877140e-01 -2.397725964e-01 -5.027216216e-01 4.10 -2.152288785e-01 -2.298685672e-01 -4.872397730e-01 4.12 -2.080222461e-01 -2.203310997e-01 -4.721755051e-01 4.14 -2.010421698e-01 -2.111497198e-01 -4.575246694e-01 4.16 -1.942832616e-01 -2.023140117e-01 -4.432824903e-01 4.18 -1.877401008e-01 -1.938135871e-01 -4.294435457e-01 4.20 -1.814072343e-01 -1.856380728e-01 -4.160017760e-01 4.22 -1.752791812e-01 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