# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-K-H-Lee-B-J--Mg-Pb # implementation = 2018--Jang-H-S--Mg-Pb--LAMMPS--ipr1 # composition = Mg3Pb # 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 2022-05-24 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 1.811614680e+02 nan nan 1.06 1.712914860e+02 nan nan 1.08 1.619225603e+02 nan nan 1.10 1.530302214e+02 nan nan 1.12 1.445911707e+02 1.896794668e+02 nan 1.14 1.365832245e+02 1.802331400e+02 nan 1.16 1.289852612e+02 1.712224695e+02 1.598543692e+02 1.18 1.217771715e+02 1.626283330e+02 1.522722489e+02 1.20 1.149398094e+02 1.544324169e+02 1.450202972e+02 1.22 1.084549475e+02 1.466171830e+02 1.380849172e+02 1.24 1.023052328e+02 1.391658369e+02 1.314530483e+02 1.26 9.647414514e+01 1.320622972e+02 1.251121457e+02 1.28 9.094595825e+01 1.252911667e+02 1.190501611e+02 1.30 8.570570154e+01 1.188377039e+02 1.132555235e+02 1.32 8.073912445e+01 1.126877961e+02 1.077171212e+02 1.34 7.603266224e+01 1.068279333e+02 1.024242845e+02 1.36 7.157340340e+01 1.012451837e+02 9.736676825e+01 1.38 6.734905870e+01 9.592716930e+01 9.253473610e+01 1.40 6.334793154e+01 9.086204324e+01 8.791874460e+01 1.42 5.955888986e+01 8.603846772e+01 8.350972814e+01 1.44 5.597133931e+01 8.144559282e+01 7.929898442e+01 1.46 5.257519765e+01 7.707303618e+01 7.527816048e+01 1.48 4.936087046e+01 7.291086356e+01 7.143923918e+01 1.50 4.631922791e+01 6.894957010e+01 6.777452626e+01 1.52 4.344158267e+01 6.518006243e+01 6.427663781e+01 1.54 4.071966888e+01 6.159364139e+01 6.093848825e+01 1.56 3.814562202e+01 5.818198556e+01 5.775327875e+01 1.58 3.571195990e+01 5.493713539e+01 5.471448606e+01 1.60 3.341156435e+01 5.185147799e+01 5.181585181e+01 1.62 3.123766394e+01 4.891773256e+01 4.905137215e+01 1.64 2.918381744e+01 4.612893640e+01 4.641528779e+01 1.66 2.724389807e+01 4.347843146e+01 4.390207450e+01 1.68 2.541207846e+01 4.095985151e+01 4.150643380e+01 1.70 2.368281642e+01 3.856710976e+01 3.922328417e+01 1.72 2.205084127e+01 3.629438704e+01 3.704775253e+01 1.74 2.051114090e+01 3.413612044e+01 3.497516595e+01 1.76 1.905894937e+01 3.208699243e+01 3.300104386e+01 1.78 1.768973517e+01 3.014192041e+01 3.112109039e+01 1.80 1.639918998e+01 2.829604674e+01 2.933118708e+01 1.82 1.518321796e+01 2.654472908e+01 2.762738586e+01 1.84 1.403792561e+01 2.488353125e+01 2.600590228e+01 1.86 1.295961202e+01 2.330821438e+01 2.446310902e+01 1.88 1.194475964e+01 2.181472850e+01 2.299552964e+01 1.90 1.099002549e+01 2.039920438e+01 2.159983255e+01 1.92 1.009223274e+01 1.905794581e+01 2.027282524e+01 1.94 9.248362733e+00 1.778742214e+01 1.901144872e+01 1.96 8.455547350e+00 1.658426115e+01 1.781277219e+01 1.98 7.711061771e+00 1.544524223e+01 1.667398786e+01 2.00 7.012317561e+00 1.436728983e+01 1.559240606e+01 2.02 6.356856071e+00 1.334746717e+01 1.456545044e+01 2.04 5.742342174e+00 1.238297023e+01 1.359065344e+01 2.06 5.166558291e+00 1.147112201e+01 1.266565190e+01 2.08 4.627398690e+00 1.060936700e+01 1.178818282e+01 2.10 4.122864067e+00 9.795265900e+00 1.095607932e+01 2.12 3.651056383e+00 9.026490552e+00 1.016726675e+01 2.14 3.210173937e+00 8.300819089e+00 9.419758925e+00 2.16 2.798506685e+00 7.616131301e+00 8.711654557e+00 2.18 2.414431770e+00 6.970404174e+00 8.041133771e+00 2.20 2.056409278e+00 6.361707642e+00 7.406454799e+00 2.22 1.722978181e+00 5.788200499e+00 6.805950782e+00 2.24 1.412752479e+00 5.248126498e+00 6.238026709e+00 2.26 1.124417536e+00 4.739810606e+00 5.701156469e+00 2.28 8.567265727e-01 4.261655426e+00 5.193880024e+00 2.30 6.084973381e-01 3.812137767e+00 4.714800688e+00 2.32 3.786089384e-01 3.389805364e+00 4.262582524e+00 2.34 1.659988126e-01 2.993273731e+00 3.835947832e+00 2.36 -3.034013992e-02 2.621223157e+00 3.433674742e+00 2.38 -2.113623025e-01 2.272395824e+00 3.054594907e+00 2.40 -3.779719464e-01 1.945593055e+00 2.697591279e+00 2.42 -5.310257138e-01 1.639672673e+00 2.361595978e+00 2.44 -6.713349851e-01 1.353546479e+00 2.045588250e+00 2.46 -7.996681244e-01 1.086177833e+00 1.748592496e+00 2.48 -9.167526255e-01 8.365793509e-01 1.469676394e+00 2.50 -1.023277151e+00 6.038106820e-01 1.207949080e+00 2.52 -1.119893471e+00 3.869764022e-01 9.625594160e-01 2.54 -1.207218315e+00 1.852239838e-01 7.326943217e-01 2.56 -1.285835125e+00 -2.258137481e-03 5.175771709e-01 2.58 -1.356295736e+00 -1.762424183e-01 3.164662569e-01 2.60 -1.419121961e+00 -3.374639771e-01 1.286533180e-01 2.62 -1.474807114e+00 -4.866222918e-01 -4.653787754e-02 2.64 -1.523817447e+00 -6.243828183e-01 -2.097528892e-01 2.66 -1.566593527e+00 -7.513785436e-01 -3.616079065e-01 2.68 -1.603551536e+00 -8.682114663e-01 -5.026909985e-01 2.70 -1.635084518e+00 -9.754540162e-01 -6.335633133e-01 2.72 -1.661563558e+00 -1.073650408e+00 -7.547602275e-01 2.74 -1.683338910e+00 -1.163317941e+00 -8.667924495e-01 2.76 -1.700741060e+00 -1.244948234e+00 -9.701470778e-01 2.78 -1.714081747e+00 -1.319008413e+00 -1.065288616e+00 2.80 -1.723654931e+00 -1.385942243e+00 -1.152659945e+00 2.82 -1.729737710e+00 -1.446171209e+00 -1.232683257e+00 2.84 -1.732591195e+00 -1.500095553e+00 -1.305760953e+00 2.86 -1.732461345e+00 -1.548095263e+00 -1.372276496e+00 2.88 -1.729579752e+00 -1.590531015e+00 -1.432595237e+00 2.90 -1.724164398e+00 -1.627745077e+00 -1.487065203e+00 2.92 -1.716420366e+00 -1.660062175e+00 -1.536017853e+00 2.94 -1.706540519e+00 -1.687790312e+00 -1.579768805e+00 2.96 -1.694706147e+00 -1.711221561e+00 -1.618618527e+00 2.98 -1.681087582e+00 -1.730632814e+00 -1.652853005e+00 3.00 -1.665844777e+00 -1.746286501e+00 -1.682744383e+00 3.02 -1.649127860e+00 -1.758431277e+00 -1.708551568e+00 3.04 -1.631077663e+00 -1.767302677e+00 -1.730520826e+00 3.06 -1.611826221e+00 -1.773123743e+00 -1.748886335e+00 3.08 -1.591497246e+00 -1.776105623e+00 -1.763870727e+00 3.10 -1.570206575e+00 -1.776448137e+00 -1.775685600e+00 3.12 -1.548062605e+00 -1.774340328e+00 -1.784532019e+00 3.14 -1.525166693e+00 -1.769960979e+00 -1.790600979e+00 3.16 -1.501613545e+00 -1.763479108e+00 -1.794073866e+00 3.18 -1.477491582e+00 -1.755054446e+00 -1.795122887e+00 3.20 -1.452883287e+00 -1.744837889e+00 -1.793911485e+00 3.22 -1.427865537e+00 -1.732971926e+00 -1.790594739e+00 3.24 -1.402509915e+00 -1.719591055e+00 -1.785319743e+00 3.26 -1.376883006e+00 -1.704822174e+00 -1.778225972e+00 3.28 -1.351061048e+00 -1.688784957e+00 -1.769445629e+00 3.30 -1.327765979e+00 -1.671592211e+00 -1.759103983e+00 3.32 -1.317125632e+00 -1.653350219e+00 -1.747319683e+00 3.34 -1.295730925e+00 -1.634159063e+00 -1.734205070e+00 3.36 -1.269121967e+00 -1.614112937e+00 -1.719866466e+00 3.38 -1.242557003e+00 -1.593300440e+00 -1.704404454e+00 3.40 -1.216074907e+00 -1.571804862e+00 -1.687914151e+00 3.42 -1.189711435e+00 -1.549704450e+00 -1.670485458e+00 3.44 -1.163499402e+00 -1.527072666e+00 -1.652203310e+00 3.46 -1.137468864e+00 -1.503978430e+00 -1.633147909e+00 3.48 -1.111647279e+00 -1.480486355e+00 -1.613394949e+00 3.50 -1.086059663e+00 -1.456656969e+00 -1.593015830e+00 3.52 -1.060728743e+00 -1.432546924e+00 -1.572077864e+00 3.54 -1.035675091e+00 -1.408209200e+00 -1.550644470e+00 3.56 -1.010917262e+00 -1.383693295e+00 -1.528775363e+00 3.58 -9.864719204e-01 -1.359045412e+00 -1.506526736e+00 3.60 -9.623539540e-01 -1.334308627e+00 -1.483951423e+00 3.62 -9.385765914e-01 -1.309523060e+00 -1.461099072e+00 3.64 -9.151515068e-01 -1.284726030e+00 -1.438016298e+00 3.66 -8.920889212e-01 -1.259952205e+00 -1.414746831e+00 3.68 -8.693976977e-01 -1.235233749e+00 -1.391331659e+00 3.70 -8.470854313e-01 -1.210600454e+00 -1.367809170e+00 3.72 -8.251585345e-01 -1.186079870e+00 -1.344215273e+00 3.74 -8.036223174e-01 -1.161697430e+00 -1.320583533e+00 3.76 -7.824810641e-01 -1.137476566e+00 -1.296945281e+00 3.78 -7.617381037e-01 -1.113438820e+00 -1.273329732e+00 3.80 -7.413958785e-01 -1.089603953e+00 -1.249764093e+00 3.82 -7.214560078e-01 -1.065990042e+00 -1.226273666e+00 3.84 -7.019193481e-01 -1.042613576e+00 -1.202881946e+00 3.86 -6.827860497e-01 -1.019489552e+00 -1.179610715e+00 3.88 -6.640556104e-01 -9.966315543e-01 -1.156480135e+00 3.90 -6.457269260e-01 -9.740518427e-01 -1.133508829e+00 3.92 -6.277983376e-01 -9.517614275e-01 -1.110713967e+00 3.94 -6.102676764e-01 -9.297701443e-01 -1.088111341e+00 3.96 -5.931323058e-01 -9.080867246e-01 -1.065715440e+00 3.98 -5.763891609e-01 -8.867188628e-01 -1.043539521e+00 4.00 -5.600347857e-01 -8.656732791e-01 -1.021595679e+00 4.02 -5.440653682e-01 -8.449557801e-01 -9.998949059e-01 4.04 -5.284767732e-01 -8.245713158e-01 -9.784471575e-01 4.06 -5.132645729e-01 -8.045240339e-01 -9.572614080e-01 4.08 -4.984240762e-01 -7.848173307e-01 -9.363457074e-01 4.10 -4.839503554e-01 -7.654539004e-01 -9.157072341e-01 4.12 -4.698382719e-01 -7.464357808e-01 -8.953523452e-01 4.14 -4.560824999e-01 -7.277643971e-01 -8.752866243e-01 4.16 -4.426775488e-01 -7.094406036e-01 -8.555149279e-01 4.18 -4.296177839e-01 -6.914647223e-01 -8.360416181e-01 4.20 -4.168974457e-01 -6.738365805e-01 -8.168967206e-01 4.22 -4.045106684e-01 -6.565555460e-01 -7.982099313e-01 4.24 -3.924514966e-01 -6.396205599e-01 -7.799670655e-01 4.26 -3.807139014e-01 -6.230301681e-01 -7.617183340e-01 4.28 -3.692917945e-01 -6.067825516e-01 -7.437691260e-01 4.30 -3.581790427e-01 -5.908755536e-01 -7.261309827e-01 4.32 -3.473694799e-01 -5.753067069e-01 -7.088043390e-01 4.34 -3.368569193e-01 -5.600732583e-01 -6.917892240e-01 4.36 -3.266351640e-01 -5.451721927e-01 -6.750852890e-01 4.38 -3.166980177e-01 -5.306002552e-01 -6.586918329e-01 4.40 -3.070392932e-01 -5.163539721e-01 -6.426078273e-01 4.42 -2.976528218e-01 -5.024296707e-01 -6.268319399e-01 4.44 -2.885324607e-01 -4.888234981e-01 -6.113625564e-01 4.46 -2.796721006e-01 -4.755314389e-01 -5.961978019e-01 4.48 -2.710656721e-01 -4.625493313e-01 -5.813355606e-01 4.50 -2.627071522e-01 -4.498728832e-01 -5.667734945e-01 4.52 -2.545905695e-01 -4.374976865e-01 -5.525090617e-01 4.54 -2.467100095e-01 -4.254192310e-01 -5.385395329e-01 4.56 -2.390596191e-01 -4.136329174e-01 -5.248620074e-01 4.58 -2.316336110e-01 -4.021340690e-01 -5.114734285e-01 4.60 -2.244262668e-01 -3.909179436e-01 -4.983705974e-01 4.62 -2.174319410e-01 -3.799797438e-01 -4.855501868e-01 4.64 -2.106450639e-01 -3.693146270e-01 -4.730087537e-01 4.66 -2.040601438e-01 -3.589177149e-01 -4.607427513e-01 4.68 -1.976717697e-01 -3.487841018e-01 -4.487485403e-01 4.70 -1.914746131e-01 -3.389088633e-01 -4.370223995e-01 4.72 -1.854634299e-01 -3.292870632e-01 -4.255605360e-01 4.74 -1.796330616e-01 -3.199137612e-01 -4.143590943e-01 4.76 -1.739784367e-01 -3.107840190e-01 -4.034141657e-01 4.78 -1.684945716e-01 -3.018929064e-01 -3.927217960e-01 4.80 -1.631765716e-01 -2.932355072e-01 -3.822779939e-01 4.82 -1.580196834e-01 -2.848069244e-01 -3.720787380e-01 4.84 -1.532889033e-01 -2.766022847e-01 -3.621199837e-01 4.86 -1.497371257e-01 -2.686167434e-01 -3.523976698e-01 4.88 -9.889909941e-02 -2.608454880e-01 -3.429077245e-01 4.90 -2.830903132e-02 -2.532837426e-01 -3.336460709e-01 4.92 -2.557786371e-02 -2.459267706e-01 -3.246086323e-01 4.94 -2.295281162e-02 -2.387698786e-01 -3.157913371e-01 4.96 -2.043038023e-02 -2.318084187e-01 -3.071901236e-01 4.98 -1.800719453e-02 -2.250377914e-01 -2.988009439e-01 5.00 -1.567999388e-02 -2.184534478e-01 -2.906197680e-01 5.02 -1.344562699e-02 -2.120508918e-01 -2.826425875e-01 5.04 -1.130104712e-02 -2.058256819e-01 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