# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = CoFe3 # 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 2025-07-01 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 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 2.481621046e+02 nan nan 0.98 2.266274929e+02 nan nan 1.00 2.071629688e+02 nan nan 1.02 1.893232793e+02 nan nan 1.04 1.732052739e+02 nan nan 1.06 1.583621470e+02 nan nan 1.08 1.447618070e+02 2.162262816e+02 nan 1.10 1.324719294e+02 1.992747174e+02 2.262067406e+02 1.12 1.210161925e+02 1.833985008e+02 2.085408941e+02 1.14 1.107465879e+02 1.687256967e+02 1.926400637e+02 1.16 1.011517319e+02 1.554136266e+02 1.776302979e+02 1.18 9.245830337e+01 1.430761103e+02 1.639015188e+02 1.20 8.431158220e+01 1.320951248e+02 1.513379102e+02 1.22 7.706479409e+01 1.215915876e+02 1.399281374e+02 1.24 7.018662599e+01 1.118143483e+02 1.291113013e+02 1.26 6.409525889e+01 1.029730057e+02 1.192140902e+02 1.28 5.828692254e+01 9.476482232e+01 1.100115289e+02 1.30 5.313253233e+01 8.719103814e+01 1.013991992e+02 1.32 4.824568243e+01 8.006226316e+01 9.359152180e+01 1.34 4.371475979e+01 7.374395857e+01 8.617789105e+01 1.36 3.967834155e+01 6.763144073e+01 7.940560810e+01 1.38 3.593195276e+01 6.200584143e+01 7.323299113e+01 1.40 3.239670806e+01 5.678390290e+01 6.732448117e+01 1.42 2.923930062e+01 5.195636578e+01 6.194289873e+01 1.44 2.638182802e+01 4.774886132e+01 5.686437381e+01 1.46 2.363666207e+01 4.378159121e+01 5.242330938e+01 1.48 2.109660620e+01 3.991584405e+01 4.803363051e+01 1.50 1.876469939e+01 3.634098356e+01 4.407617041e+01 1.52 1.676045393e+01 3.312717753e+01 4.029412537e+01 1.54 1.482906948e+01 3.023909455e+01 3.696830448e+01 1.56 1.300944379e+01 2.738325242e+01 3.370018942e+01 1.58 1.136461606e+01 2.477391044e+01 3.071803280e+01 1.60 9.833467116e+00 2.232939067e+01 2.790587004e+01 1.62 8.587907305e+00 2.006959539e+01 2.529957075e+01 1.64 7.288557231e+00 1.798087002e+01 2.306325993e+01 1.66 6.100180600e+00 1.613950247e+01 2.080733883e+01 1.68 5.014107111e+00 1.443599497e+01 1.871755613e+01 1.70 4.022360826e+00 1.277247807e+01 1.678199751e+01 1.72 3.215777064e+00 1.123685382e+01 1.498965667e+01 1.74 2.447419453e+00 9.909355093e+00 1.333035878e+01 1.76 1.706176040e+00 8.594035935e+00 1.206544906e+01 1.78 1.008647883e+00 7.381588946e+00 1.061976127e+01 1.80 3.754849270e-01 6.264600657e+00 9.283207616e+00 1.82 -1.664751524e-01 5.355409428e+00 8.143669971e+00 1.84 -6.883996551e-01 4.398690109e+00 6.994414615e+00 1.86 -1.109752270e+00 3.697989846e+00 5.933613171e+00 1.88 -1.470742537e+00 2.874651455e+00 4.955066467e+00 1.90 -1.841482918e+00 2.119269582e+00 4.148775336e+00 1.92 -2.194049807e+00 1.426955702e+00 3.309744518e+00 1.94 -2.509160287e+00 8.389960767e-01 2.537594975e+00 1.96 -2.789789541e+00 2.556991915e-01 1.827654041e+00 1.98 -3.038687921e+00 -2.768656179e-01 1.175577510e+00 2.00 -3.258398405e+00 -7.623563816e-01 6.703857128e-01 2.02 -3.451272627e+00 -1.204171732e+00 1.146437954e-01 2.04 -3.619485576e+00 -1.605470221e+00 -3.939209881e-01 2.06 -3.694261802e+00 -1.969188081e+00 -8.586149663e-01 2.08 -3.802608749e+00 -2.298055564e+00 -1.282516787e+00 2.10 -3.897797104e+00 -2.514216315e+00 -1.574098916e+00 2.12 -3.980669626e+00 -2.743155043e+00 -1.886395087e+00 2.14 -4.060966109e+00 -2.991132367e+00 -2.214615673e+00 2.16 -4.125998063e+00 -3.212702211e+00 -2.511602869e+00 2.18 -4.177075603e+00 -3.409821950e+00 -2.779580071e+00 2.20 -4.215410629e+00 -3.584313323e+00 -3.020619968e+00 2.22 -4.242124090e+00 -3.737872009e+00 -3.236655056e+00 2.24 -4.212409804e+00 -3.780390744e+00 -3.406565943e+00 2.26 -4.222255485e+00 -3.903397182e+00 -3.579547774e+00 2.28 -4.223118313e+00 -4.009401186e+00 -3.732453508e+00 2.30 -4.215835038e+00 -4.099711505e+00 -3.866754067e+00 2.32 -4.154252302e+00 -4.175546554e+00 -3.983821578e+00 2.34 -4.067936863e+00 -4.238040638e+00 -4.084936076e+00 2.36 -4.048483065e+00 -4.288249717e+00 -4.171291726e+00 2.38 -4.023090970e+00 -4.327156768e+00 -4.244002599e+00 2.40 -3.992361299e+00 -4.355676760e+00 -4.124575383e+00 2.42 -3.956848660e+00 -4.374661278e+00 -4.185333008e+00 2.44 -3.917064865e+00 -4.288950779e+00 -4.234521543e+00 2.46 -3.873482017e+00 -4.297599410e+00 -4.273041430e+00 2.48 -3.826535362e+00 -4.298501719e+00 -4.301732581e+00 2.50 -3.776625946e+00 -4.292324002e+00 -4.321378365e+00 2.52 -3.724123077e+00 -4.188959525e+00 -4.332709331e+00 2.54 -3.669366614e+00 -4.176354103e+00 -4.336406663e+00 2.56 -3.612669086e+00 -4.158016360e+00 -4.333105418e+00 2.58 -3.554317674e+00 -4.134469127e+00 -4.292174393e+00 2.60 -3.494576034e+00 -4.106198382e+00 -4.278593254e+00 2.62 -3.433686010e+00 -4.073655701e+00 -4.259545808e+00 2.64 -3.371869209e+00 -4.037260542e+00 -4.235518656e+00 2.66 -3.309328473e+00 -3.997402373e+00 -4.206964976e+00 2.68 -3.246249251e+00 -3.954442670e+00 -4.174306696e+00 2.70 -3.158656945e+00 -3.908716766e+00 -4.137936518e+00 2.72 -3.096452569e+00 -3.860535598e+00 -4.098219811e+00 2.74 -3.034086174e+00 -3.787021685e+00 -4.055496382e+00 2.76 -2.927572397e+00 -3.736162041e+00 -4.010082131e+00 2.78 -2.867918659e+00 -3.683566275e+00 -3.962270600e+00 2.80 -2.808307508e+00 -3.629467809e+00 -3.912334417e+00 2.82 -2.723843385e+00 -3.574082486e+00 -3.765299059e+00 2.84 -2.666074800e+00 -3.517609742e+00 -3.717391498e+00 2.86 -2.608561413e+00 -3.460233700e+00 -3.667744232e+00 2.88 -2.551387941e+00 -3.402124193e+00 -3.616577363e+00 2.90 -2.494630729e+00 -3.343437724e+00 -3.564095001e+00 2.92 -2.438358381e+00 -3.284318359e+00 -3.510486298e+00 2.94 -2.382632335e+00 -3.224898566e+00 -3.455926408e+00 2.96 -2.327507402e+00 -3.165299996e+00 -3.400577395e+00 2.98 -2.273032276e+00 -3.105634218e+00 -3.344589082e+00 3.00 -2.219249994e+00 -3.046003403e+00 -3.288099843e+00 3.02 -2.166198378e+00 -2.986500963e+00 -3.231237349e+00 3.04 -2.113910436e+00 -2.927212155e+00 -3.174119267e+00 3.06 -2.062414743e+00 -2.868214638e+00 -3.116853913e+00 3.08 -2.011735789e+00 -2.809578998e+00 -3.059540867e+00 3.10 -1.961894308e+00 -2.751369239e+00 -3.002271549e+00 3.12 -1.912907579e+00 -2.693643244e+00 -2.945129756e+00 3.14 -1.864789712e+00 -2.636453201e+00 -2.888192172e+00 3.16 -1.794144460e+00 -2.548705161e+00 -2.784713945e+00 3.18 -1.749015511e+00 -2.494347508e+00 -2.730829223e+00 3.20 -1.704717898e+00 -2.440567683e+00 -2.677213945e+00 3.22 -1.661258752e+00 -2.387403211e+00 -2.623927309e+00 3.24 -1.618643006e+00 -2.334887468e+00 -2.571023159e+00 3.26 -1.576873583e+00 -2.283049977e+00 -2.518550343e+00 3.28 -1.535951575e+00 -2.231916686e+00 -2.466553053e+00 3.30 -1.495876405e+00 -2.087964848e+00 -2.415071137e+00 3.32 -1.456645977e+00 -2.042982805e+00 -2.364140402e+00 3.34 -1.418256820e+00 -1.998530928e+00 -2.313792886e+00 3.36 -1.380704217e+00 -1.954634815e+00 -2.264057122e+00 3.38 -1.295135720e+00 -1.911317079e+00 -2.214958384e+00 3.40 -1.261606610e+00 -1.868597553e+00 -2.166518913e+00 3.42 -1.228779224e+00 -1.826493499e+00 -2.118758134e+00 3.44 -1.196650462e+00 -1.785019784e+00 -2.071692857e+00 3.46 -1.165216239e+00 -1.744189065e+00 -2.025337466e+00 3.48 -1.134471588e+00 -1.704011943e+00 -1.979704097e+00 3.50 -1.081922931e+00 -1.664497123e+00 -1.934802802e+00 3.52 -1.053609046e+00 -1.625651558e+00 -1.890641707e+00 3.54 -1.025914678e+00 -1.587480577e+00 -1.847227154e+00 3.56 -9.988345053e-01 -1.549988017e+00 -1.804563840e+00 3.58 -9.723625893e-01 -1.513176339e+00 -1.762654943e+00 3.60 -9.464924359e-01 -1.477046735e+00 -1.721502243e+00 3.62 -9.212170569e-01 -1.441599236e+00 -1.681106232e+00 3.64 -8.897107745e-01 -1.406832804e+00 -1.546105025e+00 3.66 -8.659193538e-01 -1.372745424e+00 -1.511542862e+00 3.68 -8.426846214e-01 -1.339334188e+00 -1.477536966e+00 3.70 -8.199988041e-01 -1.306595373e+00 -1.444092392e+00 3.72 -7.978538433e-01 -1.274524512e+00 -1.411212986e+00 3.74 -7.762414343e-01 -1.243116467e+00 -1.378901467e+00 3.76 -7.551530616e-01 -1.212365489e+00 -1.347159521e+00 3.78 -7.345800330e-01 -1.182265278e+00 -1.315987873e+00 3.80 -7.145135097e-01 -1.152809040e+00 -1.285386370e+00 3.82 -6.949445346e-01 -1.123989535e+00 -1.255354042e+00 3.84 -6.758640586e-01 -1.095799131e+00 -1.225889177e+00 3.86 -6.572629642e-01 -1.020360346e+00 -1.196989374e+00 3.88 -6.391320875e-01 -9.954511500e-01 -1.168651610e+00 3.90 -6.214622383e-01 -9.710590219e-01 -1.140872286e+00 3.92 -6.042442188e-01 -9.471788403e-01 -1.113647281e+00 3.94 -5.874688399e-01 -9.238051294e-01 -1.086971999e+00 3.96 -5.711269367e-01 -9.009320950e-01 -1.060841417e+00 3.98 -5.552093826e-01 -8.785536593e-01 -1.035250118e+00 4.00 -5.397071022e-01 -8.566634926e-01 -1.010192337e+00 4.02 -5.246110820e-01 -8.352550436e-01 -9.856619958e-01 4.04 -5.099123815e-01 -8.143215663e-01 -9.616527331e-01 4.06 -4.956021423e-01 -7.938561467e-01 -9.381579400e-01 4.08 -4.816715963e-01 -7.738517260e-01 -9.151707875e-01 4.10 -4.681120736e-01 -7.543011233e-01 -8.926842538e-01 4.12 -4.549150088e-01 -7.351970559e-01 -8.706911503e-01 4.14 -4.420719470e-01 -7.165321589e-01 -8.491841447e-01 4.16 -4.295745491e-01 -6.982990023e-01 -8.281557831e-01 4.18 -4.174145963e-01 -6.804901078e-01 -8.075985108e-01 4.20 -4.055839939e-01 -6.630979637e-01 -7.875046905e-01 4.22 -3.940747749e-01 -6.461150389e-01 -7.678666206e-01 4.24 -3.828791028e-01 -6.295337959e-01 -7.486765510e-01 4.26 -3.719892738e-01 -6.133467024e-01 -7.299266983e-01 4.28 -3.613977189e-01 -5.975462424e-01 -7.116092596e-01 4.30 -3.510970054e-01 -5.821249260e-01 -6.937164254e-01 4.32 -3.410798383e-01 -5.670752985e-01 -6.762403914e-01 4.34 -3.313390605e-01 -5.523899488e-01 -6.591733693e-01 4.36 -3.218676540e-01 -5.380615171e-01 -6.425075970e-01 4.38 -3.126587398e-01 -5.240827017e-01 -6.262353475e-01 4.40 -3.037055778e-01 -5.104462654e-01 -6.103489373e-01 4.42 -2.950015665e-01 -4.971450406e-01 -5.948407343e-01 4.44 -2.865402428e-01 -4.841719354e-01 -5.797031644e-01 4.46 -2.783152810e-01 -4.715199374e-01 -5.411229858e-01 4.48 -2.703204920e-01 -4.591821178e-01 -5.275885198e-01 4.50 -2.625498223e-01 -4.471516356e-01 -5.143696671e-01 4.52 -2.549973528e-01 -4.354217402e-01 -5.014603433e-01 4.54 -2.476572974e-01 -4.239857747e-01 -4.888545052e-01 4.56 -2.405240017e-01 -4.128371780e-01 -4.765461559e-01 4.58 -2.335919414e-01 -4.019694869e-01 -4.645293498e-01 4.60 -2.268557205e-01 -3.913763383e-01 -4.527981964e-01 4.62 -2.203100699e-01 -3.810514703e-01 -4.413468649e-01 4.64 -2.139498453e-01 -3.709887234e-01 -4.301695869e-01 4.66 -2.077700254e-01 -3.611820419e-01 -4.192606604e-01 4.68 -2.017657103e-01 -3.516254741e-01 -4.086144519e-01 4.70 -1.959321190e-01 -3.423131731e-01 -3.982253995e-01 4.72 -1.902645881e-01 -3.332393974e-01 -3.880880146e-01 4.74 -1.847585690e-01 -3.243985103e-01 -3.781968841e-01 4.76 -1.794096263e-01 -3.157849807e-01 -3.685466722e-01 4.78 -1.742134358e-01 -3.073933823e-01 -3.591321215e-01 4.80 -1.691657823e-01 -2.992183935e-01 -3.499480545e-01 4.82 -1.642625572e-01 -2.912547971e-01 -3.409893745e-01 4.84 -1.594997570e-01 -2.834974793e-01 -3.322510665e-01 4.86 -1.548734805e-01 -2.759414296e-01 -3.237281977e-01 4.88 -1.503799274e-01 -2.685817395e-01 -3.154159182e-01 4.90 -1.460153957e-01 -2.614136018e-01 -3.073094612e-01 4.92 -1.417762799e-01 -2.544323097e-01 -2.994041430e-01 4.94 -1.376590687e-01 -2.476332557e-01 -2.916953635e-01 4.96 -1.336603432e-01 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