# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Castin-N-Terentyev-D--Fe-Ni-Cr # implementation = 2013--Bonny-G--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 1.921894495e+04 nan 0.70 nan nan nan nan nan nan nan nan 1.728036388e+04 nan 0.72 nan nan nan nan nan 1.300872434e+04 nan nan 1.555549122e+04 nan 0.74 nan nan nan nan nan 1.167188490e+04 nan nan 1.401561915e+04 nan 0.76 nan nan nan nan nan 1.048354796e+04 nan nan 1.263792211e+04 nan 0.78 nan nan nan nan nan 9.421948426e+03 nan nan 1.140132969e+04 nan 0.80 nan nan nan nan nan 8.469252734e+03 nan nan 1.028803791e+04 nan 0.82 nan nan nan 2.089494258e+04 2.089277371e+04 7.605236965e+03 nan nan 9.284248683e+03 1.369139552e+04 0.84 nan 1.247921915e+04 nan 1.917947850e+04 1.917512697e+04 6.819672276e+03 1.270948376e+04 nan 8.377915431e+03 1.246585445e+04 0.86 nan 1.137447583e+04 nan 1.762259227e+04 1.761753600e+04 6.104775078e+03 1.158258447e+04 nan 7.555555756e+03 1.135143347e+04 0.88 nan 1.036461932e+04 nan 1.620272632e+04 1.619887061e+04 5.453300236e+03 1.055556323e+04 nan 6.806818560e+03 1.033803009e+04 0.90 nan 9.440789809e+03 nan 1.490499886e+04 1.490302887e+04 4.857823897e+03 9.617069151e+03 nan 6.123823739e+03 9.417054079e+03 0.92 nan 8.595229493e+03 nan 1.371643691e+04 1.371686221e+04 4.310807104e+03 8.757718228e+03 nan 5.500502277e+03 8.579480562e+03 0.94 1.262223588e+04 7.821314721e+03 1.130452672e+04 1.262567495e+04 1.262873276e+04 3.807807478e+03 7.970831731e+03 1.168603750e+04 4.929870371e+03 7.812949204e+03 0.96 1.161811872e+04 7.112863504e+03 1.038171086e+04 1.162299854e+04 1.162773855e+04 3.345058384e+03 7.250680144e+03 1.074033004e+04 4.405791467e+03 7.110134649e+03 0.98 1.069582392e+04 6.462943419e+03 9.530470343e+03 1.070049315e+04 1.070536211e+04 2.918520926e+03 6.591540083e+03 9.870592822e+03 3.923027348e+03 6.465930538e+03 1.00 9.848006626e+03 5.864112011e+03 8.743625507e+03 9.851228849e+03 9.854796784e+03 2.524097198e+03 5.987182933e+03 9.069791551e+03 3.477615320e+03 5.875178356e+03 1.02 9.064672520e+03 5.310484768e+03 8.015920115e+03 9.066311246e+03 9.068242021e+03 2.159092331e+03 5.432808528e+03 8.329582188e+03 3.065761081e+03 5.329339868e+03 1.04 8.338443495e+03 4.797774252e+03 7.342643262e+03 8.338961997e+03 8.339477584e+03 1.821138692e+03 4.922329737e+03 7.644200014e+03 2.683539379e+03 4.822623983e+03 1.06 7.665026299e+03 4.322788143e+03 6.719789028e+03 7.664564930e+03 7.663840185e+03 1.513657346e+03 4.450464301e+03 7.009576070e+03 2.328276038e+03 4.352029534e+03 1.08 7.040473361e+03 3.882770311e+03 6.143800214e+03 7.038976953e+03 7.037161212e+03 1.263659236e+03 4.012663896e+03 6.421844156e+03 1.997769927e+03 3.914858736e+03 1.10 6.461263324e+03 3.475287287e+03 5.611520749e+03 6.458677655e+03 6.455898089e+03 1.063525999e+03 3.604773833e+03 5.876560353e+03 1.690096920e+03 3.508498746e+03 1.12 5.923787325e+03 3.097790430e+03 5.120015736e+03 5.920278623e+03 5.916755639e+03 9.025313610e+02 3.224380912e+03 5.369649834e+03 1.422030510e+03 3.130298468e+03 1.14 5.423311346e+03 2.747356348e+03 4.665510631e+03 5.419643394e+03 5.416121949e+03 7.725786829e+02 2.869399862e+03 4.897701550e+03 1.205365318e+03 2.777203569e+03 1.16 4.956455611e+03 2.421793613e+03 4.244839209e+03 4.953670264e+03 4.951132939e+03 6.674849463e+02 2.537797899e+03 4.457973408e+03 1.029074788e+03 2.446988987e+03 1.18 4.520772661e+03 2.119493006e+03 3.853523600e+03 4.519454577e+03 4.518367945e+03 5.815405407e+02 2.227296142e+03 4.048204649e+03 8.844200975e+02 2.137972222e+03 1.20 4.114149233e+03 1.838549609e+03 3.486884153e+03 4.114163827e+03 4.114294621e+03 5.098955780e+02 1.936102253e+03 3.666465222e+03 7.648332620e+02 1.848612123e+03 1.22 3.734775965e+03 1.578852197e+03 3.142940837e+03 3.735804393e+03 3.736825392e+03 4.497705230e+02 1.662978323e+03 3.311058089e+03 6.653410180e+02 1.580072217e+03 1.24 3.381028843e+03 1.361111668e+03 2.820084360e+03 3.382690894e+03 3.384260478e+03 3.991238517e+02 1.425615588e+03 2.980283934e+03 5.821043537e+02 1.353734083e+03 1.26 3.051425574e+03 1.181836705e+03 2.516898816e+03 3.053339188e+03 3.055096134e+03 3.563675857e+02 1.229250523e+03 2.671889860e+03 5.118775669e+02 1.167141683e+03 1.28 2.744649814e+03 1.032979026e+03 2.232238948e+03 2.746370878e+03 2.747913244e+03 3.202685450e+02 1.065761128e+03 2.383639638e+03 4.521308513e+02 1.012729960e+03 1.30 2.457993500e+03 9.083507290e+02 1.965019570e+03 2.459225165e+03 2.460288663e+03 2.898643965e+02 9.288612526e+02 2.112608882e+03 4.010682008e+02 8.840495754e+02 1.32 2.187884917e+03 8.030077044e+02 1.714197676e+03 2.188630863e+03 2.189243859e+03 2.644088703e+02 8.136409875e+02 1.856925686e+03 3.573141675e+02 7.755868400e+02 1.34 1.932768552e+03 7.132135603e+02 1.489579050e+03 1.933119562e+03 1.933388015e+03 2.433191108e+02 7.162224539e+02 1.616813283e+03 3.197959508e+02 6.834498105e+02 1.36 1.691707056e+03 6.360332985e+02 1.302966855e+03 1.691732121e+03 1.691774135e+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 2.599193523e+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 6.195769869e+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 8.372334522e+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 6.770559079e+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 -1.264656387e-01 2.361462776e+00 -6.556450388e-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 1.924782241e-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 -3.818377313e-01 -1.817529110e+00 -2.966867596e+00 -2.224432732e+00 -2.703348065e+00 -2.342269064e+00 2.20 -1.861955047e+00 -3.930466884e+00 -2.909842094e+00 -1.896226690e+00 -1.930498332e+00 -2.267394024e+00 -3.420682832e+00 -2.860944516e+00 -3.023073042e+00 -3.029966338e+00 2.22 -2.697727394e+00 -4.046433536e+00 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