# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Arora-G-Bonny-G-Castin-N-Aidhy-D-S--Fe-Ni-Cr-Pd # implementation = 2021--Arora-G--Fe-Ni-Cr-Pd--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 2024-11-27 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 2.971131864e+04 nan 0.72 nan nan nan nan nan nan nan nan 2.656334962e+04 nan 0.74 nan nan nan nan nan nan nan nan 2.375099740e+04 nan 0.76 nan nan nan nan nan 1.727761349e+04 nan nan 2.123192212e+04 nan 0.78 nan nan nan nan nan 1.532443319e+04 nan nan 1.896861837e+04 nan 0.80 nan nan nan nan nan 1.356794475e+04 nan nan 1.692949477e+04 nan 0.82 nan nan nan nan nan 1.197718064e+04 nan nan 1.508849323e+04 nan 0.84 nan nan nan nan nan 1.053301731e+04 nan nan 1.342308566e+04 nan 0.86 nan nan nan 3.038122643e+04 3.037605756e+04 9.219836301e+03 nan nan 1.191083582e+04 1.888307006e+04 0.88 nan 1.705410435e+04 nan 2.777153958e+04 2.776762780e+04 8.023092513e+03 nan nan 1.053353269e+04 1.702849784e+04 0.90 nan 1.536253101e+04 nan 2.538762430e+04 2.538573082e+04 6.929463420e+03 1.569509743e+04 nan 9.276422114e+03 1.533951822e+04 0.92 nan 1.381455134e+04 nan 2.320531619e+04 2.320590723e+04 5.926550326e+03 1.412317402e+04 nan 8.127645224e+03 1.379965322e+04 0.94 nan 1.239676681e+04 nan 2.120349830e+04 2.120664897e+04 5.005674498e+03 1.268315152e+04 nan 7.075326004e+03 1.238970539e+04 0.96 nan 1.109704483e+04 nan 1.936418597e+04 1.936889107e+04 4.159233806e+03 1.136341734e+04 nan 6.108998496e+03 1.109598818e+04 0.98 1.766776940e+04 9.903229308e+03 1.552019327e+04 1.767206443e+04 1.767680377e+04 3.380411652e+03 1.015290056e+04 1.615288151e+04 5.219570725e+03 9.908122097e+03 1.00 1.611087109e+04 8.803233128e+03 1.408203779e+04 1.611355849e+04 1.611696585e+04 2.730951905e+03 9.040601525e+03 1.468339376e+04 4.399652631e+03 8.816211885e+03 1.02 1.467276249e+04 7.787085742e+03 1.275306901e+04 1.467401407e+04 1.467584774e+04 2.224992805e+03 8.017457535e+03 1.332576134e+04 3.642329836e+03 7.807463584e+03 1.04 1.334098066e+04 6.846758512e+03 1.152375834e+04 1.334156395e+04 1.334210782e+04 1.827778170e+03 7.073449728e+03 1.206955543e+04 2.972349942e+03 6.872658726e+03 1.06 1.210695127e+04 5.975846158e+03 1.038602004e+04 1.210694756e+04 1.210636629e+04 1.513657346e+03 6.199892338e+03 1.090660758e+04 2.442994563e+03 6.005843743e+03 1.08 1.096274676e+04 5.168784692e+03 9.332656560e+03 1.096181786e+04 1.096020798e+04 1.263659236e+03 5.389440260e+03 9.829201592e+03 2.024067314e+03 5.201629954e+03 1.10 9.901250397e+03 4.420636614e+03 8.357245877e+03 9.899059976e+03 9.896463827e+03 1.063525999e+03 4.635591623e+03 8.829377256e+03 1.690119757e+03 4.454781841e+03 1.12 8.915552418e+03 3.726436348e+03 7.454048307e+03 8.912113688e+03 8.908655496e+03 9.025313610e+02 3.933720438e+03 7.899971444e+03 1.422030510e+03 3.760173617e+03 1.14 7.997905871e+03 3.095762226e+03 6.616578226e+03 7.993975293e+03 7.990371500e+03 7.725786829e+02 3.283718981e+03 7.034745501e+03 1.205365318e+03 3.126879087e+03 1.16 7.142227741e+03 2.584251297e+03 5.838989793e+03 7.138953821e+03 7.136227480e+03 6.674849463e+02 2.741971263e+03 6.228388980e+03 1.029074788e+03 2.610469735e+03 1.18 6.343551602e+03 2.174760601e+03 5.114440128e+03 6.341726089e+03 6.340414193e+03 5.815405407e+02 2.305638900e+03 5.476308985e+03 8.844200975e+02 2.193924109e+03 1.20 5.597583545e+03 1.845607612e+03 4.436263188e+03 5.597252965e+03 5.597183283e+03 5.098955780e+02 1.951807570e+03 4.774583574e+03 7.648332620e+02 1.855929589e+03 1.22 4.900661710e+03 1.578852197e+03 3.800776216e+03 4.901569608e+03 4.902462883e+03 4.497705230e+02 1.662978323e+03 4.119765534e+03 6.653410180e+02 1.580072217e+03 1.24 4.249480250e+03 1.361111668e+03 3.211614505e+03 4.251248361e+03 4.252805187e+03 3.991238517e+02 1.425615588e+03 3.508576136e+03 5.821043537e+02 1.353734083e+03 1.26 3.641017836e+03 1.181836705e+03 2.719112875e+03 3.643260758e+03 3.645145224e+03 3.563675857e+02 1.229250523e+03 2.966743938e+03 5.118775669e+02 1.167141683e+03 1.28 3.088302330e+03 1.032979026e+03 2.316601786e+03 3.090412728e+03 3.092156944e+03 3.202685450e+02 1.065761128e+03 2.525351918e+03 4.521308513e+02 1.012729960e+03 1.30 2.633336022e+03 9.083507290e+02 1.986383574e+03 2.634855278e+03 2.636087698e+03 2.898643965e+02 9.288612526e+02 2.163501102e+03 4.010682008e+02 8.840495754e+02 1.32 2.259076922e+03 8.030077044e+02 1.714427052e+03 2.259973149e+03 2.260683024e+03 2.644088703e+02 8.136409875e+02 1.864781774e+03 3.573141675e+02 7.755868400e+02 1.34 1.949328529e+03 7.132135603e+02 1.489579050e+03 1.949725130e+03 1.950026518e+03 2.433191108e+02 7.162224539e+02 1.616813283e+03 3.197959508e+02 6.834498105e+02 1.36 1.691715138e+03 6.360332985e+02 1.302966855e+03 1.691740347e+03 1.691782652e+03 2.260869699e+02 6.334671317e+02 1.409828259e+03 2.876591568e+02 6.046662903e+02 1.38 1.476335777e+03 5.691281333e+02 1.146893291e+03 1.476113575e+03 1.476019444e+03 2.115896439e+02 5.625870473e+02 1.236049829e+03 2.599193524e+02 5.368851202e+02 1.40 1.295246229e+03 5.106327890e+02 1.014862045e+03 1.294870504e+03 1.294699400e+03 1.985713980e+02 5.013792815e+02 1.089293575e+03 2.355331825e+02 4.782795048e+02 1.42 1.142073546e+03 4.590761373e+02 9.022958104e+02 1.141675016e+03 1.141479284e+03 1.866537184e+02 4.482741340e+02 9.646417064e+02 2.139749129e+02 4.274003424e+02 1.44 1.011768134e+03 4.133036973e+02 8.056587266e+02 1.011463315e+03 1.011288458e+03 1.756534536e+02 4.020331018e+02 8.581848165e+02 1.949177336e+02 3.830891745e+02 1.46 9.003590477e+02 3.723907331e+02 7.220943993e+02 9.001880380e+02 9.000629682e+02 1.654229614e+02 3.616676621e+02 7.668080966e+02 1.781063731e+02 3.444208846e+02 1.48 8.046309960e+02 3.355913062e+02 6.492955765e+02 8.045891449e+02 8.045275828e+02 1.558452404e+02 3.263860282e+02 6.879844717e+02 1.633382500e+02 3.106506325e+02 1.50 7.219832072e+02 3.023058637e+02 5.854152494e+02 7.220418713e+02 7.220419703e+02 1.468270718e+02 2.955555974e+02 6.195769868e+02 1.502578410e+02 2.811815784e+02 1.52 6.503131141e+02 2.720524453e+02 5.289917104e+02 6.504301710e+02 6.504788443e+02 1.382921993e+02 2.686163051e+02 5.597969111e+02 1.382982275e+02 2.555372812e+02 1.54 5.878998672e+02 2.444442568e+02 4.788500468e+02 5.880432561e+02 5.881262230e+02 1.301752454e+02 2.447134112e+02 5.072790208e+02 1.271825754e+02 2.333332541e+02 1.56 5.333395892e+02 2.191741453e+02 4.340255519e+02 5.334891428e+02 5.335923725e+02 1.224247065e+02 2.230395772e+02 4.609368321e+02 1.168230979e+02 2.142606060e+02 1.58 4.853741901e+02 1.959932638e+02 3.937278898e+02 4.855136213e+02 4.856226464e+02 1.150016242e+02 2.032449497e+02 4.198010714e+02 1.071525263e+02 1.978308046e+02 1.60 4.426994661e+02 1.746977182e+02 3.573138020e+02 4.428134160e+02 4.429137484e+02 1.078761818e+02 1.851036546e+02 3.828917530e+02 9.811781888e+01 1.830980838e+02 1.62 4.043250847e+02 1.551197463e+02 3.242548129e+02 4.044028684e+02 4.044814825e+02 1.010245006e+02 1.684337756e+02 3.494569976e+02 8.967555528e+01 1.694539055e+02 1.64 3.696015086e+02 1.371231805e+02 2.941159641e+02 3.696387915e+02 3.696864727e+02 9.442740043e+01 1.530895550e+02 3.189925812e+02 8.179041013e+01 1.567371297e+02 1.66 3.380045975e+02 1.205987899e+02 2.665390984e+02 3.380016948e+02 3.380141901e+02 8.806968045e+01 1.389541590e+02 2.910918853e+02 7.443471771e+01 1.448351976e+02 1.68 3.091001857e+02 1.054605786e+02 2.412292210e+02 3.090630332e+02 3.090420884e+02 8.194177226e+01 1.259348405e+02 2.654199772e+02 6.758604853e+01 1.336565487e+02 1.70 2.825285943e+02 9.164222647e+01 2.179454589e+02 2.824670964e+02 2.824188765e+02 7.603855862e+01 1.139569403e+02 2.417009437e+02 6.122712941e+01 1.231271121e+02 1.72 2.579940972e+02 7.909179771e+01 1.964885403e+02 2.579189825e+02 2.578520707e+02 7.035519389e+01 1.029592776e+02 2.197087396e+02 5.534550400e+01 1.131874270e+02 1.74 2.352583723e+02 6.777023608e+01 1.766962934e+02 2.351777191e+02 2.351007860e+02 6.488728270e+01 9.289369068e+01 1.992596419e+02 4.993208859e+01 1.037915229e+02 1.76 2.141229641e+02 5.764912094e+01 1.584351259e+02 2.140433521e+02 2.139646253e+02 5.963154454e+01 8.372334504e+01 1.802023904e+02 4.498093581e+01 9.489994630e+01 1.78 1.944218178e+02 4.870899016e+01 1.415946748e+02 1.943495719e+02 1.942767175e+02 5.458576098e+01 7.538804434e+01 1.624135780e+02 4.048847673e+01 8.647837267e+01 1.80 1.760210464e+02 4.093643967e+01 1.260842083e+02 1.759617431e+02 1.759011418e+02 4.974866868e+01 6.770559065e+01 1.457934693e+02 3.644819306e+01 7.849976608e+01 1.82 1.588121346e+02 3.424868094e+01 1.118296099e+02 1.587695378e+02 1.587253570e+02 4.511973201e+01 6.049784063e+01 1.302606053e+02 3.278231746e+01 7.094309948e+01 1.84 1.427060641e+02 2.839340726e+01 9.877254831e+01 1.426821125e+02 1.426565520e+02 4.069850484e+01 5.371655837e+01 1.157479252e+02 2.935874390e+01 6.379131501e+01 1.86 1.276298864e+02 2.316222169e+01 8.686634071e+01 1.276248994e+02 1.276185990e+02 3.648431079e+01 4.734939503e+01 1.022009869e+02 2.611218681e+01 5.703065050e+01 1.88 1.135240508e+02 1.851969120e+01 7.607353624e+01 1.135369551e+02 1.135491385e+02 3.247670749e+01 4.138677824e+01 8.957654192e+01 2.303847185e+01 5.065016899e+01 1.90 1.003402444e+02 1.445933938e+01 6.636578422e+01 1.003689999e+02 1.003975883e+02 2.867632818e+01 3.582150492e+01 7.784064639e+01 2.013607309e+01 4.464128956e+01 1.92 8.803850342e+01 1.097603804e+01 5.770609095e+01 8.808042687e+01 8.812241456e+01 2.508412348e+01 3.064836881e+01 6.696549753e+01 1.740373152e+01 3.899633627e+01 1.94 7.658606812e+01 8.065689989e+00 4.992478545e+01 7.663790417e+01 7.668973826e+01 2.170123415e+01 2.586377799e+01 5.692827410e+01 1.484033497e+01 3.370921652e+01 1.96 6.595698801e+01 5.725452057e+00 4.278984345e+01 6.601478364e+01 6.607242525e+01 1.852895702e+01 2.146481557e+01 4.771076069e+01 1.244470904e+01 2.877601345e+01 1.98 5.613034265e+01 3.945579592e+00 3.618820140e+01 5.618971390e+01 5.624883886e+01 1.556871643e+01 1.744890245e+01 3.929854183e+01 1.021631603e+01 2.419404822e+01 2.00 4.708925450e+01 2.604079516e+00 3.010594742e+01 4.714600968e+01 4.720253235e+01 1.282212604e+01 1.381414303e+01 3.168059866e+01 8.155102549e+00 1.996164505e+01 2.02 3.882026301e+01 1.497611171e+00 2.453564723e+01 3.887092154e+01 3.892143854e+01 1.029156836e+01 1.055961209e+01 2.484916866e+01 6.261346021e+00 1.607794223e+01 2.04 3.131284624e+01 5.021309237e-01 1.947256898e+01 3.135483780e+01 3.139677715e+01 7.979880255e+00 7.685179285e+00 1.879893536e+01 4.535856321e+00 1.254275371e+01 2.06 2.455900627e+01 -3.940544013e-01 1.491369620e+01 2.459062443e+01 2.462223403e+01 5.890056908e+00 5.190622965e+00 1.352654330e+01 2.979823404e+00 9.356453078e+00 2.08 1.855291064e+01 -1.192313544e+00 1.085725572e+01 1.857324746e+01 1.859358427e+01 4.025085581e+00 3.076001306e+00 9.029845644e+00 1.594770989e+00 6.519877911e+00 2.10 1.329070922e+01 -1.893316811e+00 7.302676865e+00 1.329961134e+01 1.330851345e+01 2.388057769e+00 1.321759489e+00 5.307820706e+00 3.823876482e-01 4.034362042e+00 2.12 8.771226767e+00 -2.497122123e+00 4.250391451e+00 8.769024888e+00 8.766823010e+00 9.821143978e-01 -1.264656511e-01 2.361462776e+00 -6.556450389e-01 1.902352516e+00 2.14 4.994985347e+00 -3.003258109e+00 1.701448062e+00 4.982390177e+00 4.969795007e+00 -1.895836925e-01 -1.318520321e+00 1.924782242e-01 -1.517413120e+00 1.269609259e-01 2.16 1.962801239e+00 -3.411264441e+00 -3.429374469e-01 1.941085230e+00 1.919369220e+00 -1.123860565e+00 -2.265663939e+00 -1.269730453e+00 -2.200722801e+00 -1.288913088e+00 2.18 -3.236734614e-01 -3.720558776e+00 -1.880957706e+00 -3.527555963e-01 -3.818377312e-01 -1.817529110e+00 -2.966867596e+00 -2.224432732e+00 -2.703348065e+00 -2.342269064e+00 2.20 -1.861955589e+00 -3.930466951e+00 -2.909842455e+00 -1.896227232e+00 -1.930498874e+00 -2.267394205e+00 -3.420683012e+00 -2.860944696e+00 -3.023073178e+00 -3.029966609e+00 2.22 -2.697727394e+00 -4.046433536e+00 -3.459142062e+00 -2.734691607e+00 -2.771655819e+00 -2.486759800e+00 -3.642099692e+00 -3.247706386e+00 -3.170306966e+00 -3.373280285e+00 2.24 -3.072872039e+00 -4.098474389e+00 -3.690984513e+00 -3.110108683e+00 -3.147345327e+00 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