# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = Co3Fe # 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 4.616572378e+02 nan nan 0.86 4.282800699e+02 nan nan 0.88 3.971772633e+02 nan nan 0.90 3.681986343e+02 nan nan 0.92 3.412037291e+02 4.603084721e+02 nan 0.94 3.160612014e+02 4.292255144e+02 4.590409466e+02 0.96 2.926482298e+02 4.001285329e+02 4.292259934e+02 0.98 2.708499712e+02 3.728939104e+02 4.012384934e+02 1.00 2.505590498e+02 3.474056228e+02 3.749696736e+02 1.02 2.316750784e+02 3.235547759e+02 3.503171259e+02 1.04 2.141042096e+02 3.012391701e+02 3.271844395e+02 1.06 1.977587160e+02 2.803628926e+02 3.054808530e+02 1.08 1.825565973e+02 2.608359330e+02 2.851209277e+02 1.10 1.684212112e+02 2.425738236e+02 2.660242390e+02 1.12 1.552809295e+02 2.254973003e+02 2.481150858e+02 1.14 1.430688147e+02 2.095319853e+02 2.313222161e+02 1.16 1.317223177e+02 1.946080882e+02 2.155785693e+02 1.18 1.211829952e+02 1.806601256e+02 2.008210323e+02 1.20 1.113962443e+02 1.676266578e+02 1.869902103e+02 1.22 1.023110544e+02 1.554500415e+02 1.740302106e+02 1.24 9.387977527e+01 1.440761975e+02 1.618884388e+02 1.26 8.605789941e+01 1.334543924e+02 1.505154066e+02 1.28 7.880385860e+01 1.235370339e+02 1.398645514e+02 1.30 7.207883331e+01 1.142794784e+02 1.298920653e+02 1.32 6.584657452e+01 1.056398502e+02 1.205567343e+02 1.34 6.007323669e+01 9.757887174e+01 1.118197876e+02 1.36 5.472722167e+01 9.005970452e+01 1.036447542e+02 1.38 4.977903240e+01 8.304779927e+01 9.599732898e+01 1.40 4.520113617e+01 7.651075547e+01 8.884524588e+01 1.42 4.096783655e+01 7.041818944e+01 8.215815858e+01 1.44 3.705515360e+01 6.474161039e+01 7.590752816e+01 1.46 3.344071178e+01 5.945430411e+01 7.006651719e+01 1.48 3.010363500e+01 5.453122371e+01 6.460988996e+01 1.50 2.702444857e+01 4.994888705e+01 5.951391853e+01 1.52 2.418498730e+01 4.568528039e+01 5.475629416e+01 1.54 2.156830964e+01 4.171976802e+01 5.031604400e+01 1.56 1.915861735e+01 3.803300731e+01 4.617345249e+01 1.58 1.694118029e+01 3.460686897e+01 4.230998741e+01 1.60 1.490226616e+01 3.142436225e+01 3.870823016e+01 1.62 1.302907472e+01 2.846956462e+01 3.535181021e+01 1.64 1.130967627e+01 2.572755584e+01 3.222534321e+01 1.66 9.732954193e+00 2.318435600e+01 2.931437285e+01 1.68 8.288551126e+00 2.082686735e+01 2.660531600e+01 1.70 6.966818689e+00 1.864281976e+01 2.408541112e+01 1.72 5.758770441e+00 1.662071945e+01 2.174266963e+01 1.74 4.656037943e+00 1.474980089e+01 1.956583014e+01 1.76 3.650829626e+00 1.301998165e+01 1.754431539e+01 1.78 2.735892393e+00 1.142181999e+01 1.566819160e+01 1.80 1.904475673e+00 9.946475124e+00 1.392813032e+01 1.82 1.150297876e+00 8.585669818e+00 1.231537245e+01 1.84 4.675149858e-01 7.331655381e+00 1.082169436e+01 1.86 -1.493087393e-01 6.177178747e+00 9.439376014e+00 1.88 -7.052281953e-01 5.115451599e+00 8.161170951e+00 1.90 -1.204943021e+00 4.140121395e+00 6.980278052e+00 1.92 -1.652821540e+00 3.245244169e+00 5.890314935e+00 1.94 -2.052923106e+00 2.425259006e+00 4.885292924e+00 1.96 -2.409018994e+00 1.674964094e+00 3.959593491e+00 1.98 -2.724611900e+00 9.894942462e-01 3.107946080e+00 2.00 -3.002954176e+00 3.642998082e-01 2.325407243e+00 2.02 -3.247064834e+00 -2.048731282e-01 1.607340994e+00 2.04 -3.459745451e+00 -7.220012990e-01 9.494003339e-01 2.06 -3.643595008e+00 -1.190801689e+00 3.475098540e-01 2.08 -3.801023744e+00 -1.614747876e+00 -2.021506267e-01 2.10 -3.934266100e+00 -1.997085373e+00 -7.031614600e-01 2.12 -4.045392794e+00 -2.340846013e+00 -1.158877656e+00 2.14 -4.136322096e+00 -2.648861446e+00 -1.572442514e+00 2.16 -4.208830353e+00 -2.923775800e+00 -1.946800445e+00 2.18 -4.264561810e+00 -3.168057562e+00 -2.284709035e+00 2.20 -4.305037772e+00 -3.384010715e+00 -2.588750395e+00 2.22 -4.331665138e+00 -3.573785189e+00 -2.861341831e+00 2.24 -4.345744222e+00 -3.739386661e+00 -3.104745888e+00 2.26 -4.348476894e+00 -3.882685746e+00 -3.321079791e+00 2.28 -4.340972698e+00 -4.005426615e+00 -3.512324327e+00 2.30 -4.324255464e+00 -4.109235083e+00 -3.680332195e+00 2.32 -4.299269644e+00 -4.195626356e+00 -3.826835862e+00 2.34 -4.266885806e+00 -4.266013035e+00 -3.953454947e+00 2.36 -4.227905881e+00 -4.321707241e+00 -4.061703168e+00 2.38 -4.183068054e+00 -4.363932508e+00 -4.152994865e+00 2.40 -4.133051324e+00 -4.393828385e+00 -4.228651146e+00 2.42 -4.078479752e+00 -4.412454139e+00 -4.289905651e+00 2.44 -4.019926421e+00 -4.420794760e+00 -4.337909978e+00 2.46 -3.957924581e+00 -4.419765796e+00 -4.373738784e+00 2.48 -3.893044643e+00 -4.410217865e+00 -4.398394577e+00 2.50 -3.825665234e+00 -4.392940894e+00 -4.412812218e+00 2.52 -3.756017220e+00 -4.368668090e+00 -4.417863155e+00 2.54 -3.684609129e+00 -4.338079657e+00 -4.414359401e+00 2.56 -3.611737294e+00 -4.301806283e+00 -4.403059105e+00 2.58 -3.537251549e+00 -4.260432404e+00 -4.384687368e+00 2.60 -3.461624918e+00 -4.214499263e+00 -4.359890745e+00 2.62 -3.386293383e+00 -4.164507773e+00 -4.329224236e+00 2.64 -3.310605490e+00 -4.110921202e+00 -4.293294827e+00 2.66 -3.234768854e+00 -4.054167684e+00 -4.252628959e+00 2.68 -3.158970900e+00 -3.994642573e+00 -4.207715499e+00 2.70 -3.083380416e+00 -3.932710561e+00 -4.159008159e+00 2.72 -3.008148997e+00 -3.868672230e+00 -4.106927757e+00 2.74 -2.933412392e+00 -3.802640884e+00 -4.051864343e+00 2.76 -2.859291745e+00 -3.735135000e+00 -3.994179202e+00 2.78 -2.785894757e+00 -3.666696547e+00 -3.934206725e+00 2.80 -2.713316760e+00 -3.597284080e+00 -3.872256170e+00 2.82 -2.641641716e+00 -3.527117867e+00 -3.808613315e+00 2.84 -2.570943141e+00 -3.456399541e+00 -3.743542011e+00 2.86 -2.501284963e+00 -3.385313388e+00 -3.677285633e+00 2.88 -2.432722323e+00 -3.314027568e+00 -3.610068452e+00 2.90 -2.365302308e+00 -3.242695240e+00 -3.542096913e+00 2.92 -2.299064636e+00 -3.171455624e+00 -3.473560839e+00 2.94 -2.234042294e+00 -3.100434990e+00 -3.404634561e+00 2.96 -2.170262119e+00 -3.029747587e+00 -3.335477976e+00 2.98 -2.107745344e+00 -2.959496500e+00 -3.266237539e+00 3.00 -2.046508099e+00 -2.889774465e+00 -3.197047197e+00 3.02 -1.986561878e+00 -2.820664619e+00 -3.128029261e+00 3.04 -1.927913965e+00 -2.752241205e+00 -3.059295229e+00 3.06 -1.870567834e+00 -2.684570231e+00 -2.990946551e+00 3.08 -1.814523514e+00 -2.617710083e+00 -2.923075350e+00 3.10 -1.759777926e+00 -2.551712098e+00 -2.855765103e+00 3.12 -1.706325198e+00 -2.486621099e+00 -2.789107795e+00 3.14 -1.654156949e+00 -2.422475893e+00 -2.724987063e+00 3.16 -1.603262557e+00 -2.359309734e+00 -2.671448014e+00 3.18 -1.553629401e+00 -2.297150760e+00 -2.626691889e+00 3.20 -1.505243084e+00 -2.236022394e+00 -2.563583031e+00 3.22 -1.458087644e+00 -2.175943723e+00 -2.501107325e+00 3.24 -1.412145739e+00 -2.116929844e+00 -2.439699914e+00 3.26 -1.367398823e+00 -2.058992194e+00 -2.379400602e+00 3.28 -1.323827303e+00 -2.002138852e+00 -2.320245118e+00 3.30 -1.281410688e+00 -1.946374823e+00 -2.262265446e+00 3.32 -1.240127722e+00 -1.891702298e+00 -2.205490134e+00 3.34 -1.199956505e+00 -1.838120901e+00 -2.149944567e+00 3.36 -1.160874603e+00 -1.785627914e+00 -2.095651227e+00 3.38 -1.122859154e+00 -1.734218488e+00 -2.042629923e+00 3.40 -1.085886956e+00 -1.683885842e+00 -1.990897992e+00 3.42 -1.049934554e+00 -1.634621441e+00 -1.940470479e+00 3.44 -1.014978314e+00 -1.586415165e+00 -1.891360294e+00 3.46 -9.809944938e-01 -1.539255469e+00 -1.843578338e+00 3.48 -9.479593058e-01 -1.493129525e+00 -1.797133603e+00 3.50 -9.158489713e-01 -1.448023359e+00 -1.752033244e+00 3.52 -8.846397727e-01 -1.403921974e+00 -1.708282621e+00 3.54 -8.543080985e-01 -1.360809468e+00 -1.665885307e+00 3.56 -8.248304844e-01 -1.318669141e+00 -1.624843064e+00 3.58 -7.961836495e-01 -1.277483596e+00 -1.585155782e+00 3.60 -7.682441116e-01 -1.237234831e+00 -1.546821372e+00 3.62 -7.221731801e-01 -1.197904324e+00 -1.509835629e+00 3.64 -6.013137189e-01 -1.159473121e+00 -1.474192040e+00 3.66 -9.399407450e-01 -1.121921903e+00 -1.439881548e+00 3.68 -8.909411972e-01 -1.085231064e+00 -1.406892265e+00 3.70 -8.678681607e-01 -1.049380774e+00 -1.375209145e+00 3.72 -8.453331969e-01 -1.014351046e+00 -1.344813595e+00 3.74 -8.233274636e-01 -9.801217948e-01 -1.315683054e+00 3.76 -8.018420064e-01 -9.466728959e-01 -1.287790523e+00 3.78 -7.808677843e-01 -9.139842435e-01 -1.261104081e+00 3.80 -7.603956919e-01 -8.820358050e-01 -1.235586378e+00 3.82 -7.404165800e-01 -8.507920440e-01 -1.211194147e+00 3.84 -7.209212743e-01 -8.188349242e-01 -1.187877751e+00 3.86 -7.019005925e-01 -7.787911878e-01 -1.165580818e+00 3.88 -6.833453599e-01 -7.155820263e-01 -1.144239984e+00 3.90 -6.652464238e-01 -6.526512024e-01 -1.123784823e+00 3.92 -6.475946663e-01 -6.252316942e-01 -1.104138004e+00 3.94 -6.303786226e-01 -5.983623192e-01 -1.085215734e+00 3.96 -6.115863779e-01 -5.720412618e-01 -1.066928557e+00 3.98 -5.761651920e-01 -5.462686690e-01 -1.049182531e+00 4.00 -4.942851362e-01 -5.210467575e-01 -1.031880841e+00 4.02 -3.633590762e-01 -4.963798954e-01 -1.014925821e+00 4.04 -3.400667706e-01 -4.722746501e-01 -9.982213755e-01 4.06 -3.318473343e-01 -4.487397936e-01 -9.816757015e-01 4.08 -3.238154332e-01 -4.257862572e-01 -9.652042017e-01 4.10 -3.159674284e-01 -4.034270265e-01 -9.487324012e-01 4.12 -3.082997139e-01 -3.816769676e-01 -9.321986547e-01 4.14 -3.008087190e-01 -3.605525796e-01 -9.155564022e-01 4.16 -2.934909104e-01 -3.400716674e-01 -8.987757332e-01 4.18 -2.863427936e-01 -3.202529346e-01 -8.818440570e-01 4.20 -2.793609150e-01 -3.011154973e-01 -8.647657506e-01 4.22 -2.725418632e-01 -2.826783279e-01 -8.475607553e-01 4.24 -2.658822702e-01 -2.649596386e-01 -8.302622197e-01 4.26 -2.593788127e-01 -2.479762240e-01 -8.129133950e-01 4.28 -2.530282130e-01 -2.317427829e-01 -7.955640840e-01 4.30 -2.468272399e-01 -2.162712479e-01 -7.782669904e-01 4.32 -2.407727096e-01 -2.015701495e-01 -7.610743085e-01 4.34 -2.348614861e-01 -1.876440480e-01 -7.440348428e-01 4.36 -2.290904818e-01 -1.744930600e-01 -7.271918521e-01 4.38 -2.234566580e-01 -1.621125094e-01 -7.105817080e-01 4.40 -2.179570250e-01 -1.504927222e-01 -6.942333466e-01 4.42 -2.121201158e-01 -1.394252807e-01 -6.772300535e-01 4.44 -2.000364871e-01 -1.266825633e-01 -6.473546634e-01 4.46 -1.663688020e-01 -1.063926311e-01 -5.665969881e-01 4.48 -9.110066572e-02 -6.484224958e-02 -3.499894593e-01 4.50 -6.370990020e-23 -2.228084323e-22 -1.978910055e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00