# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = Fe3Ni # 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 2024-01-04 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 4.835808399e+02 nan nan 0.90 4.356459778e+02 nan nan 0.92 3.927602522e+02 nan nan 0.94 3.542713767e+02 nan nan 0.96 3.196609278e+02 nan nan 0.98 2.884970448e+02 4.345280532e+02 4.992066312e+02 1.00 2.604986085e+02 3.958507423e+02 4.549610853e+02 1.02 2.353242331e+02 3.609492921e+02 4.148390641e+02 1.04 2.126546466e+02 3.292076213e+02 3.781898539e+02 1.06 1.922549641e+02 3.003019354e+02 3.447856767e+02 1.08 1.738596009e+02 2.739032984e+02 3.144031111e+02 1.10 1.571548540e+02 2.497755958e+02 2.868089439e+02 1.12 1.419876026e+02 2.276874553e+02 2.617701637e+02 1.14 1.282290701e+02 2.074626991e+02 2.390493721e+02 1.16 1.157522180e+02 1.889343406e+02 2.184096019e+02 1.18 1.044458352e+02 1.719693353e+02 1.995462635e+02 1.20 9.421372217e+01 1.564667756e+02 1.822732816e+02 1.22 8.494015833e+01 1.423301428e+02 1.664564440e+02 1.24 7.650961438e+01 1.294519065e+02 1.519583903e+02 1.26 6.885284225e+01 1.176802981e+02 1.386356195e+02 1.28 6.192394517e+01 1.069104776e+02 1.263643237e+02 1.30 5.567984642e+01 9.704545350e+01 1.150594106e+02 1.32 5.007666235e+01 8.800267162e+01 1.046601931e+02 1.34 4.506550581e+01 7.972499737e+01 9.511622101e+01 1.36 4.059081170e+01 7.216569451e+01 8.639485593e+01 1.38 3.653151472e+01 6.526818044e+01 7.846001193e+01 1.40 3.278900361e+01 5.897952973e+01 7.125882872e+01 1.42 2.933555916e+01 5.325392730e+01 6.473147823e+01 1.44 2.615605672e+01 4.805424824e+01 5.878934573e+01 1.46 2.324037537e+01 4.334813148e+01 5.336756003e+01 1.48 2.057825864e+01 3.910411186e+01 4.842101835e+01 1.50 1.815735949e+01 3.525233019e+01 4.391207477e+01 1.52 1.596571619e+01 3.171747230e+01 3.981199853e+01 1.54 1.398981237e+01 2.848538616e+01 3.607344112e+01 1.56 1.221785283e+01 2.554332617e+01 3.261723272e+01 1.58 1.063976321e+01 2.287477707e+01 2.942866739e+01 1.60 9.244735741e+00 2.045965805e+01 2.649050472e+01 1.62 8.020501813e+00 1.827774096e+01 2.378559130e+01 1.64 6.897563956e+00 1.630974060e+01 2.129723796e+01 1.66 5.743055498e+00 1.453666639e+01 1.901174393e+01 1.68 4.682739644e+00 1.294028457e+01 1.691816554e+01 1.70 3.713292498e+00 1.150207942e+01 1.500526399e+01 1.72 2.829067088e+00 1.020602114e+01 1.326279935e+01 1.74 2.027670153e+00 9.034566042e+00 1.168384449e+01 1.76 1.306492576e+00 7.965313038e+00 1.026179084e+01 1.78 6.614213515e-01 6.968906029e+00 8.989042800e+00 1.80 9.024010707e-02 5.896684100e+00 7.857267898e+00 1.82 -4.099746136e-01 4.900740820e+00 6.856355809e+00 1.84 -8.465929545e-01 3.980659851e+00 5.893044312e+00 1.86 -1.227297029e+00 3.132633422e+00 4.938132908e+00 1.88 -1.560700996e+00 2.352590141e+00 4.076420258e+00 1.90 -1.855950619e+00 1.637951373e+00 3.299911755e+00 1.92 -2.120262262e+00 9.860306881e-01 2.596536536e+00 1.94 -2.360568914e+00 3.957060589e-01 1.959109264e+00 1.96 -2.583948667e+00 -1.343571521e-01 1.382444212e+00 1.98 -2.797738892e+00 -6.073070744e-01 8.617709752e-01 2.00 -3.002066088e+00 -1.026880014e+00 3.921637518e-01 2.02 -3.196159391e+00 -1.403451586e+00 -4.186405176e-02 2.04 -3.378900362e+00 -1.745329576e+00 -4.529640161e-01 2.06 -3.546539531e+00 -2.052431555e+00 -8.406946187e-01 2.08 -3.696238456e+00 -2.326215361e+00 -1.204367373e+00 2.10 -3.825515265e+00 -2.568390838e+00 -1.543515937e+00 2.12 -3.932609186e+00 -2.781567808e+00 -1.857781043e+00 2.14 -4.018875866e+00 -2.969126603e+00 -2.146920959e+00 2.16 -4.085782782e+00 -3.135339461e+00 -2.411743656e+00 2.18 -4.134595301e+00 -3.284150776e+00 -2.654366690e+00 2.20 -4.166846877e+00 -3.418695610e+00 -2.877736618e+00 2.22 -4.184276828e+00 -3.541331955e+00 -3.084542885e+00 2.24 -4.189726394e+00 -3.652561334e+00 -3.274425756e+00 2.26 -4.186021061e+00 -3.752504655e+00 -3.446663720e+00 2.28 -4.174247081e+00 -3.840973831e+00 -3.600924903e+00 2.30 -4.155152238e+00 -3.917916616e+00 -3.737030858e+00 2.32 -4.129297073e+00 -3.983454129e+00 -3.854662092e+00 2.34 -4.096897701e+00 -4.037032097e+00 -3.953045574e+00 2.36 -4.058105653e+00 -4.078019934e+00 -4.031497171e+00 2.38 -4.013093215e+00 -4.106785455e+00 -4.090705613e+00 2.40 -3.962045816e+00 -4.124767224e+00 -4.133121421e+00 2.42 -3.904985379e+00 -4.133157018e+00 -4.161007315e+00 2.44 -3.841886948e+00 -4.132943834e+00 -4.176523547e+00 2.46 -3.772744736e+00 -4.125028848e+00 -4.181861612e+00 2.48 -3.698675321e+00 -4.110329480e+00 -4.178904966e+00 2.50 -3.620842861e+00 -4.089832409e+00 -4.169496502e+00 2.52 -3.539971083e+00 -4.064426740e+00 -4.155298235e+00 2.54 -3.456721569e+00 -4.034564943e+00 -4.137235173e+00 2.56 -3.371809074e+00 -4.000596379e+00 -4.116055311e+00 2.58 -3.285958534e+00 -3.962867116e+00 -4.092515558e+00 2.60 -3.199901048e+00 -3.921632057e+00 -4.067380427e+00 2.62 -3.114337582e+00 -3.876976131e+00 -4.041143832e+00 2.64 -3.029830826e+00 -3.828814863e+00 -4.013415302e+00 2.66 -2.946911297e+00 -3.777093703e+00 -3.983789169e+00 2.68 -2.866073258e+00 -3.721842633e+00 -3.951892805e+00 2.70 -2.787811700e+00 -3.663955479e+00 -3.917354086e+00 2.72 -2.712357803e+00 -3.603792701e+00 -3.879833153e+00 2.74 -2.639541593e+00 -3.541655581e+00 -3.839166722e+00 2.76 -2.569160663e+00 -3.477880607e+00 -3.795244384e+00 2.78 -2.500931398e+00 -3.412807092e+00 -3.748489383e+00 2.80 -2.434463659e+00 -3.346783385e+00 -3.699385621e+00 2.82 -2.369592797e+00 -3.280153981e+00 -3.647969342e+00 2.84 -2.306138466e+00 -3.213212585e+00 -3.594199214e+00 2.86 -2.243907144e+00 -3.146242757e+00 -3.538015799e+00 2.88 -2.182766340e+00 -3.079465494e+00 -3.479361267e+00 2.90 -2.122879974e+00 -3.012913998e+00 -3.418187527e+00 2.92 -2.064157479e+00 -2.946607352e+00 -3.354552970e+00 2.94 -2.006463474e+00 -2.880549162e+00 -3.288584582e+00 2.96 -1.949660851e+00 -2.814487061e+00 -3.220408854e+00 2.98 -1.893610678e+00 -2.748331214e+00 -3.150148543e+00 3.00 -1.838171996e+00 -2.682061346e+00 -3.077896328e+00 3.02 -1.783214788e+00 -2.615680549e+00 -3.003757575e+00 3.04 -1.728698076e+00 -2.549294915e+00 -2.927998764e+00 3.06 -1.674773307e+00 -2.483002692e+00 -2.850925695e+00 3.08 -1.621638341e+00 -2.416860955e+00 -2.772844003e+00 3.10 -1.569483671e+00 -2.350915380e+00 -2.694063721e+00 3.12 -1.518496184e+00 -2.285251835e+00 -2.614893363e+00 3.14 -1.468856986e+00 -2.220206975e+00 -2.535637203e+00 3.16 -1.420687885e+00 -2.155906320e+00 -2.456594231e+00 3.18 -1.374047228e+00 -2.092432237e+00 -2.378056461e+00 3.20 -1.328985477e+00 -2.029865522e+00 -2.300302406e+00 3.22 -1.285547411e+00 -1.968294472e+00 -2.223627232e+00 3.24 -1.243771337e+00 -1.907876889e+00 -2.148592048e+00 3.26 -1.203688662e+00 -1.848802545e+00 -2.075565094e+00 3.28 -1.165323378e+00 -1.791263495e+00 -2.004856930e+00 3.30 -1.128690919e+00 -1.735452056e+00 -1.936778269e+00 3.32 -1.093781937e+00 -1.681516270e+00 -1.871576723e+00 3.34 -1.060513856e+00 -1.629432867e+00 -1.809248072e+00 3.36 -1.028777680e+00 -1.579134054e+00 -1.749734400e+00 3.38 -9.984530264e-01 -1.530549625e+00 -1.692982415e+00 3.40 -9.694073611e-01 -1.483606816e+00 -1.638897928e+00 3.42 -9.414950885e-01 -1.438230189e+00 -1.587287428e+00 3.44 -9.145567046e-01 -1.394341303e+00 -1.538071833e+00 3.46 -8.884411587e-01 -1.351858551e+00 -1.491181184e+00 3.48 -8.630117810e-01 -1.310703812e+00 -1.446544974e+00 3.50 -8.380800031e-01 -1.270846739e+00 -1.404092187e+00 3.52 -8.134741246e-01 -1.232266959e+00 -1.363737115e+00 3.54 -7.890810056e-01 -1.194902113e+00 -1.325336689e+00 3.56 -7.649037810e-01 -1.158675781e+00 -1.288733091e+00 3.58 -7.408811966e-01 -1.123506675e+00 -1.253767934e+00 3.60 -7.169250091e-01 -1.089307859e+00 -1.220282192e+00 3.62 -6.931083464e-01 -1.055986517e+00 -1.188116167e+00 3.64 -6.694375776e-01 -1.023443366e+00 -1.157109432e+00 3.66 -6.458723768e-01 -9.915782336e-01 -1.127100960e+00 3.68 -6.223561098e-01 -9.603030477e-01 -1.097928590e+00 3.70 -5.988290764e-01 -9.295312888e-01 -1.069429287e+00 3.72 -5.752384987e-01 -8.991922210e-01 -1.041463852e+00 3.74 -5.515596924e-01 -8.692804876e-01 -1.013991402e+00 3.76 -5.277762484e-01 -8.398066336e-01 -9.869947849e-01 3.78 -5.038858320e-01 -8.107805033e-01 -9.604567487e-01 3.80 -4.799444767e-01 -7.822094383e-01 -9.343595563e-01 3.82 -4.559952953e-01 -7.541085185e-01 -9.086840040e-01 3.84 -4.321130188e-01 -7.264907137e-01 -8.834094738e-01 3.86 -4.083179284e-01 -6.993329286e-01 -8.585117300e-01 3.88 -3.847217592e-01 -6.726351793e-01 -8.339860123e-01 3.90 -3.611417453e-01 -6.463801603e-01 -8.097734364e-01 3.92 -3.375890940e-01 -6.205845973e-01 -7.858313207e-01 3.94 -3.151305405e-01 -5.950729053e-01 -7.621002965e-01 3.96 -2.946549368e-01 -5.709274628e-01 -7.385985595e-01 3.98 -2.759000822e-01 -5.481265620e-01 -7.153948642e-01 4.00 -2.563207334e-01 -5.236957928e-01 -6.925013234e-01 4.02 -2.344779940e-01 -4.965842789e-01 -6.698876526e-01 4.04 -2.099307578e-01 -4.685316367e-01 -6.476559874e-01 4.06 -1.828247634e-01 -4.421141714e-01 -6.258595980e-01 4.08 -1.550106483e-01 -4.183951460e-01 -6.045067488e-01 4.10 -1.283197564e-01 -3.975484727e-01 -5.835753947e-01 4.12 -1.038411801e-01 -3.793531648e-01 -5.630320697e-01 4.14 -8.214525760e-02 -3.634745390e-01 -5.428231543e-01 4.16 -6.345339060e-02 -3.493853539e-01 -5.228939898e-01 4.18 -4.776481484e-02 -3.359358872e-01 -5.031664326e-01 4.20 -3.494923641e-02 -3.228005788e-01 -4.835489928e-01 4.22 -2.483629748e-02 -3.097905710e-01 -4.639717445e-01 4.24 -1.732799866e-02 -2.968650267e-01 -4.444315271e-01 4.26 -1.235473024e-02 -2.840224589e-01 -4.249462931e-01 4.28 -9.877808880e-03 -2.712869699e-01 -4.055723790e-01 4.30 -9.136636633e-03 -2.586716772e-01 -3.863496446e-01 4.32 -8.634359105e-03 -2.459627172e-01 -3.669774773e-01 4.34 -8.306258701e-03 -2.333158647e-01 -3.477093077e-01 4.36 -8.126644938e-03 -2.209988653e-01 -3.289566821e-01 4.38 -8.070563465e-03 -2.092236434e-01 -3.110374111e-01 4.40 -8.113075831e-03 -1.982677995e-01 -2.943673714e-01 4.42 -8.229243585e-03 -1.880157074e-01 -2.787725993e-01 4.44 -8.394128277e-03 -1.776886747e-01 -2.630845321e-01 4.46 -8.582791457e-03 -1.667386245e-01 -2.464805302e-01 4.48 -8.770548608e-03 -1.548371269e-01 -2.284674246e-01 4.50 -8.942995162e-03 -1.418376958e-01 -2.088249622e-01 4.52 -9.099321729e-03 -1.276871172e-01 -1.874727975e-01 4.54 -9.239652171e-03 -1.127286266e-01 -1.649252597e-01 4.56 -9.364110356e-03 -9.769010349e-02 -1.422736439e-01 4.58 -9.472820147e-03 -8.312564079e-02 -1.203485653e-01 4.60 -9.565905409e-03 -6.943240779e-02 -9.974522873e-02 4.62 -9.643490009e-03 -5.688072030e-02 -8.086799651e-02 4.64 -9.705697810e-03 -4.564019686e-02 -6.396962730e-02 4.66 -9.752652678e-03 -3.580249046e-02 -4.918590755e-02 4.68 -9.784478479e-03 -2.740169652e-02 -3.656628739e-02 4.70 -9.801299076e-03 -2.043244133e-02 -2.610101322e-02 4.72 -9.803517027e-03 -1.486662531e-02 -1.774624264e-02 4.74 -9.792649654e-03 -1.066972287e-02 -1.144849425e-02 4.76 -9.770492971e-03 -7.810755097e-03 -7.159606668e-03 4.78 -9.738842993e-03 -6.271699599e-03 -4.851022330e-03 4.80 -9.699495732e-03 -5.878187710e-03 -4.260754496e-03 4.82 -9.654247205e-03 -5.717394508e-03 -4.019564692e-03 4.84 -9.604893423e-03 -5.647162210e-03 -3.914216246e-03 4.86 -9.553230402e-03 -5.655838031e-03 -3.927229978e-03 4.88 -9.501054155e-03 -5.731769183e-03 -4.041126705e-03 4.90 -9.450160697e-03 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