# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Beland-L-K-Tamm-A-Mu-S-et-al--Fe-Ni-Cr # implementation = 2017--Beland-L-K--Fe-Ni-Cr--LAMMPS--ipr1 # composition = Cr # 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 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 -2.602689538e+01 nan 0.74 nan nan nan nan nan nan nan nan -2.891113885e+01 nan 0.76 nan nan nan nan nan nan nan nan -2.907131616e+01 nan 0.78 nan nan nan nan nan 8.192572870e+01 nan nan -2.886868433e+01 nan 0.80 nan nan nan nan nan 1.009842344e+02 nan nan -2.823852681e+01 nan 0.82 nan nan nan nan nan 1.157404352e+02 nan nan -2.116584316e+01 nan 0.84 nan nan nan nan nan 1.264116755e+02 nan nan -7.901040693e+00 nan 0.86 nan nan nan nan nan 1.364224699e+02 nan nan 7.014597828e+00 nan 0.88 nan nan nan -1.395511087e+02 -1.459379375e+02 1.495205303e+02 nan nan 2.132392963e+01 -7.145206564e+01 0.90 nan -7.821878124e+01 nan -1.384159402e+02 -1.444923182e+02 1.632677699e+02 -6.164329002e+01 nan 3.764736552e+01 -6.506710281e+01 0.92 nan -7.019996660e+01 nan -1.341610662e+02 -1.375595330e+02 1.754649585e+02 -5.623091715e+01 nan 5.721435053e+01 -5.222226291e+01 0.94 nan -5.915474900e+01 nan -1.281416397e+02 -1.270281529e+02 1.872861258e+02 -5.021321502e+01 nan 7.861045326e+01 -3.936114999e+01 0.96 nan -4.244962622e+01 nan -1.207433718e+02 -1.156274256e+02 1.940198349e+02 -4.140363171e+01 nan 9.974635364e+01 -2.553742405e+01 0.98 nan -2.187485843e+01 nan -1.079611972e+02 -1.015623880e+02 1.924626722e+02 -3.009023770e+01 -9.801484059e+01 1.204118361e+02 -4.310363943e+00 1.00 -9.720389863e+01 -1.137314476e+00 -6.169228259e+01 -9.152468748e+01 -8.601085190e+01 1.854774094e+02 -1.442375591e+01 -8.164649979e+01 1.390753806e+02 2.213782401e+01 1.02 -8.006269165e+01 1.771784876e+01 -5.288943767e+01 -7.583994359e+01 -7.175945638e+01 1.755875024e+02 5.714221198e+00 -6.628389240e+01 1.472828138e+02 4.764264623e+01 1.04 -6.510974083e+01 3.451883972e+01 -4.538885112e+01 -6.234749972e+01 -5.961363891e+01 1.644379756e+02 2.973415209e+01 -5.229475707e+01 1.474511943e+02 7.016864128e+01 1.06 -5.191769121e+01 4.971254546e+01 -3.878658074e+01 -5.056718947e+01 -4.916273812e+01 1.530069012e+02 5.577988869e+01 -3.764731318e+01 1.429193824e+02 9.023247805e+01 1.08 -3.852615048e+01 6.444611745e+01 -3.146661517e+01 -3.891971164e+01 -3.917398870e+01 1.418354119e+02 8.106956994e+01 -2.196677396e+01 1.358811273e+02 1.088440611e+02 1.10 -2.301125212e+01 7.971088498e+01 -2.186617473e+01 -2.573338443e+01 -2.833516007e+01 1.311659435e+02 1.038230514e+02 -6.076318638e+00 1.276809823e+02 1.250079858e+02 1.12 -6.840293831e+00 9.224817171e+01 -9.349924799e+00 -1.166925616e+01 -1.648326484e+01 1.210023409e+02 1.183652136e+02 8.838216108e+00 1.190864648e+02 1.328451879e+02 1.14 8.137798240e+00 9.954278662e+01 9.148199187e+00 2.907376186e+00 -2.380065949e+00 1.109922965e+02 1.245389116e+02 2.236509536e+01 1.104802462e+02 1.341708538e+02 1.16 2.140160993e+01 1.038386515e+02 3.228085327e+01 1.742540363e+01 1.336704653e+01 1.010794318e+02 1.249356861e+02 3.460017692e+01 1.021180350e+02 1.313341085e+02 1.18 3.335148948e+01 1.056954461e+02 5.627118344e+01 3.123258947e+01 2.903815759e+01 9.167156592e+01 1.215481016e+02 4.612818880e+01 9.424984325e+01 1.261312880e+02 1.20 4.446701477e+01 1.048569071e+02 7.846683460e+01 4.404647704e+01 4.356682580e+01 8.315454714e+01 1.159963449e+02 5.842377472e+01 8.696884037e+01 1.197530483e+02 1.22 5.525716555e+01 1.016132231e+02 9.467245951e+01 5.627054309e+01 5.726411365e+01 7.547421119e+01 1.094275536e+02 7.293383527e+01 8.024310771e+01 1.129548637e+02 1.24 6.766177187e+01 9.663396422e+01 1.031755780e+02 6.965490056e+01 7.168447776e+01 6.850530887e+01 1.025736942e+02 8.760020554e+01 7.408717609e+01 1.061357585e+02 1.26 8.316208958e+01 9.064508385e+01 1.066309240e+02 8.490739556e+01 8.670614726e+01 6.214450209e+01 9.587764404e+01 9.850213157e+01 6.846114817e+01 9.933179509e+01 1.28 9.582622984e+01 8.423414287e+01 1.068646575e+02 9.677439199e+01 9.777294526e+01 5.629328646e+01 8.957640182e+01 1.043399344e+02 6.330094662e+01 9.256381129e+01 1.30 1.032360601e+02 7.784491625e+01 1.050923228e+02 1.035190724e+02 1.038586707e+02 5.082530212e+01 8.376568788e+01 1.056208275e+02 5.851586727e+01 8.602836179e+01 1.32 1.055663046e+02 7.180592925e+01 1.020943791e+02 1.055427634e+02 1.055729999e+02 4.526988342e+01 7.838058591e+01 1.037500400e+02 5.389796956e+01 7.996383037e+01 1.34 1.044422622e+02 6.623517862e+01 9.809172267e+01 1.043624417e+02 1.043153521e+02 3.904638027e+01 7.333767298e+01 9.999650741e+01 4.915621808e+01 7.446329848e+01 1.36 1.012182343e+02 6.102636877e+01 9.312640197e+01 1.011731427e+02 1.011346887e+02 3.224911121e+01 6.865957417e+01 9.520676140e+01 4.429179415e+01 6.950080651e+01 1.38 9.678562143e+01 5.608525997e+01 8.750355620e+01 9.679717066e+01 9.678581638e+01 2.542343283e+01 6.432788279e+01 8.993522149e+01 3.945699628e+01 6.497150294e+01 1.40 9.173653772e+01 5.137017361e+01 8.167614129e+01 9.180320742e+01 9.182064219e+01 1.932457395e+01 6.030992731e+01 8.456242883e+01 3.481190731e+01 6.078965446e+01 1.42 8.647098801e+01 4.687684005e+01 7.596493502e+01 8.657821280e+01 8.662104547e+01 1.423063157e+01 5.653426793e+01 7.932881780e+01 3.035978996e+01 5.688322935e+01 1.44 8.128682018e+01 4.261338647e+01 7.058276876e+01 8.140854810e+01 8.146878532e+01 1.021847789e+01 5.295215263e+01 7.434763458e+01 2.593967564e+01 5.321714799e+01 1.46 7.635547838e+01 3.858208831e+01 6.559349628e+01 7.646688650e+01 7.653564162e+01 7.235792814e+00 4.945600489e+01 6.966212035e+01 2.140662256e+01 4.976570904e+01 1.48 7.175707922e+01 3.479054688e+01 6.091653226e+01 7.184307702e+01 7.191181683e+01 5.081294907e+00 4.577379727e+01 6.528961291e+01 1.695448608e+01 4.649622328e+01 1.50 6.751408685e+01 3.125068707e+01 5.650155715e+01 6.756668943e+01 6.762727333e+01 3.572435656e+00 4.174164995e+01 6.116705801e+01 1.289291792e+01 4.333078837e+01 1.52 6.349517127e+01 2.796918519e+01 5.231940944e+01 6.350676475e+01 6.355129389e+01 2.552288452e+00 3.747146058e+01 5.718869087e+01 9.473690740e+00 3.996457273e+01 1.54 5.948946401e+01 2.495842710e+01 4.834399906e+01 5.945785228e+01 5.947965731e+01 1.860081506e+00 3.314137644e+01 5.320461576e+01 6.766534312e+00 3.598616038e+01 1.56 5.541570995e+01 2.222222009e+01 4.456589727e+01 5.534931713e+01 5.534434554e+01 1.371356657e+00 2.893864374e+01 4.916258216e+01 4.684059351e+00 3.139104076e+01 1.58 5.129101967e+01 1.975367471e+01 4.098937858e+01 5.120205019e+01 5.116931230e+01 1.001997006e+00 2.495811762e+01 4.511253442e+01 3.100724893e+00 2.643224607e+01 1.60 4.719242887e+01 1.753839992e+01 3.762165386e+01 4.709517902e+01 4.703798703e+01 7.005945215e-01 2.128007344e+01 4.114548048e+01 1.916127434e+00 2.154886494e+01 1.62 4.320681629e+01 1.556121975e+01 3.445235710e+01 4.311734554e+01 4.304315522e+01 4.469849452e-01 1.793711262e+01 3.733494138e+01 1.047695254e+00 1.711054064e+01 1.64 3.936607008e+01 1.380326694e+01 3.146147936e+01 3.929247413e+01 3.920957456e+01 2.298099481e-01 1.493398039e+01 3.369849179e+01 4.154442430e-01 1.323056519e+01 1.66 3.569081779e+01 1.223714824e+01 2.864262749e+01 3.563280363e+01 3.554939354e+01 3.961821368e-02 1.226536328e+01 3.023810821e+01 -4.883232549e-02 9.950342824e+00 1.68 3.218349634e+01 1.083091068e+01 2.601446226e+01 3.214273309e+01 3.206781397e+01 -1.308113311e-01 9.921025006e+00 2.696698706e+01 -3.951457215e-01 7.262747006e+00 1.70 2.884490525e+01 9.557597710e+00 2.358826035e+01 2.882537239e+01 2.876602438e+01 -2.844356982e-01 7.875184285e+00 2.392307943e+01 -6.608694056e-01 5.128737110e+00 1.72 2.571208216e+01 8.391337520e+00 2.136414313e+01 2.571306374e+01 2.567325111e+01 -4.214163658e-01 6.058440890e+00 2.113168287e+01 -8.733323972e-01 3.464365910e+00 1.74 2.282453707e+01 7.274856340e+00 1.933558675e+01 2.283915404e+01 2.282142860e+01 -5.421421808e-01 4.418302817e+00 1.859757161e+01 -1.053379834e+00 2.188806906e+00 1.76 2.018674530e+01 6.105593312e+00 1.748544777e+01 2.021284343e+01 2.022120394e+01 -6.490200360e-01 2.978860128e+00 1.630824715e+01 -1.212832820e+00 1.229682460e+00 1.78 1.778623567e+01 4.845459125e+00 1.578849814e+01 1.782693031e+01 1.786373944e+01 -7.448630722e-01 1.775749151e+00 1.424653590e+01 -1.356994268e+00 5.233747448e-01 1.80 1.561081093e+01 3.588911695e+00 1.422330934e+01 1.566819505e+01 1.573123209e+01 -8.317794335e-01 8.178516684e-01 1.239795334e+01 -1.487273880e+00 7.801277088e-03 1.82 1.365539846e+01 2.429642869e+00 1.277428514e+01 1.372535139e+01 1.380819255e+01 -9.110233853e-01 9.006167140e-02 1.075030608e+01 -1.605511151e+00 -3.688918253e-01 1.84 1.190844457e+01 1.426545538e+00 1.140356937e+01 1.198407985e+01 1.207888901e+01 -9.819835869e-01 -4.536741652e-01 9.287480616e+00 -1.713202049e+00 -6.462317880e-01 1.86 1.034883016e+01 5.982254999e-01 1.000863356e+01 1.042611012e+01 1.052629507e+01 -1.046347942e+00 -8.617333878e-01 7.990729082e+00 -1.811383068e+00 -8.551629377e-01 1.88 8.957167889e+00 -7.678826315e-02 8.507693030e+00 9.035233782e+00 9.135543919e+00 -1.107251767e+00 -1.171447771e+00 6.843698527e+00 -1.901248267e+00 -1.019617468e+00 1.90 7.719290333e+00 -6.306701922e-01 6.948862603e+00 7.798020063e+00 7.893614361e+00 -1.166758334e+00 -1.410444327e+00 5.830495967e+00 -1.983403963e+00 -1.157017184e+00 1.92 6.623358819e+00 -1.104604095e+00 5.442807885e+00 6.700704338e+00 6.786700032e+00 -1.225715332e+00 -1.599320394e+00 4.934825072e+00 -2.057806646e+00 -1.277716308e+00 1.94 5.655539117e+00 -1.522247596e+00 4.068932840e+00 5.726573745e+00 5.798306781e+00 -1.284838178e+00 -1.753615448e+00 4.142200043e+00 -2.124938816e+00 -1.388168001e+00 1.96 4.801445505e+00 -1.880634215e+00 2.871188087e+00 4.859702295e+00 4.913360069e+00 -1.344179019e+00 -1.883706511e+00 3.438541784e+00 -2.185835416e+00 -1.492245820e+00 1.98 4.045701980e+00 -2.176878683e+00 1.851560408e+00 4.085858909e+00 4.119019512e+00 -1.403546608e+00 -1.994040267e+00 2.809009419e+00 -2.241935253e+00 -1.592110770e+00 2.00 3.372990973e+00 -2.423239292e+00 9.886197826e-01 3.392486165e+00 3.404346809e+00 -1.462766561e+00 -2.087739402e+00 2.239663537e+00 -2.293781062e+00 -1.689243049e+00 2.02 2.770866480e+00 -2.631780213e+00 2.644355963e-01 2.769783146e+00 2.761143530e+00 -1.520986666e+00 -2.168736057e+00 1.718788611e+00 -2.341692233e+00 -1.784457442e+00 2.04 2.227150449e+00 -2.813358939e+00 -3.398717782e-01 2.206357976e+00 2.178593494e+00 -1.577637497e+00 -2.240361210e+00 1.236563316e+00 -2.386802195e+00 -1.878249118e+00 2.06 1.731230313e+00 -2.973949817e+00 -8.418810971e-01 1.691635247e+00 1.646430869e+00 -1.632199524e+00 -2.304840725e+00 7.751386484e-01 -2.429622184e+00 -1.971005658e+00 2.08 1.272286078e+00 -3.117349916e+00 -1.259300093e+00 1.215488055e+00 1.155208356e+00 -1.684546953e+00 -2.364001736e+00 2.984627724e-01 -2.470221503e+00 -2.063029863e+00 2.10 8.388210996e-01 -3.245730997e+00 -1.607532517e+00 7.681359751e-01 6.963044336e-01 -1.734892261e+00 -2.419164327e+00 -2.160382083e-01 -2.508430415e+00 -2.154340161e+00 2.12 4.137757075e-01 -3.360090263e+00 -1.900679734e+00 3.341952420e-01 2.553927808e-01 -1.782928751e+00 -2.471898019e+00 -7.455031926e-01 -2.543559935e+00 -2.244229497e+00 2.14 -4.213534551e-02 -3.460495947e+00 -2.154849378e+00 -1.250903967e-01 -2.061474483e-01 -1.828240588e+00 -2.524416223e+00 -1.245671084e+00 -2.574678976e+00 -2.332868281e+00 2.16 -5.509056909e-01 -3.546465615e+00 -2.379515086e+00 -6.321435575e-01 -7.112462401e-01 -1.870385456e+00 -2.578846477e+00 -1.685447578e+00 -2.600879140e+00 -2.420114456e+00 2.18 -1.082794725e+00 -3.617299927e+00 -2.576881414e+00 -1.157843231e+00 -1.231204861e+00 -1.908812846e+00 -2.635840560e+00 -2.047626724e+00 -2.621441640e+00 -2.504816807e+00 2.20 -1.569332620e+00 -3.671981004e+00 -2.748231293e+00 -1.634820790e+00 -1.699290470e+00 -1.942929430e+00 -2.694544509e+00 -2.333753792e+00 -2.635805359e+00 -2.584791176e+00 2.22 -1.971162860e+00 -3.709116180e+00 -2.898095217e+00 -2.024845968e+00 -2.078061134e+00 -1.972177359e+00 -2.753791301e+00 -2.567178809e+00 -2.643581089e+00 -2.658311869e+00 2.24 -2.285348355e+00 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