# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoCu # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan -4.132496254e+02 -4.132496254e+02 nan nan 0.84 nan nan nan nan -3.804015508e+02 -3.804015508e+02 nan nan 0.86 nan nan nan nan -3.500183802e+02 -3.500183802e+02 nan nan 0.88 nan nan nan nan -3.221705498e+02 -3.221705498e+02 nan nan 0.90 nan nan nan nan -2.985732722e+02 -2.985732722e+02 nan nan 0.92 -4.579580695e+02 -4.579580695e+02 nan nan -2.778939064e+02 -2.778939064e+02 nan nan 0.94 -4.260961304e+02 -4.260961304e+02 nan nan -2.567334660e+02 -2.567334660e+02 nan nan 0.96 -3.947878943e+02 -3.947878943e+02 nan nan -2.350206875e+02 -2.350206875e+02 nan nan 0.98 -3.671275061e+02 -3.671275061e+02 nan nan -2.142610885e+02 -2.142610885e+02 nan nan 1.00 -3.434814654e+02 -3.434814654e+02 nan nan -1.949199403e+02 -1.949199403e+02 nan nan 1.02 -3.219749535e+02 -3.219749535e+02 nan nan -1.773522857e+02 -1.773522857e+02 nan nan 1.04 -3.022999435e+02 -3.022999435e+02 -4.069494384e+02 -4.069494384e+02 -1.606657889e+02 -1.606657889e+02 -4.298375516e+02 -4.298375516e+02 1.06 -2.847362531e+02 -2.847362531e+02 -3.848260082e+02 -3.848260082e+02 -1.452119232e+02 -1.452119232e+02 -4.059143650e+02 -4.059143650e+02 1.08 -2.675461292e+02 -2.675461292e+02 -3.638844006e+02 -3.638844006e+02 -1.311109469e+02 -1.311109469e+02 -3.824442741e+02 -3.824442741e+02 1.10 -2.500925362e+02 -2.500925362e+02 -3.438081048e+02 -3.438081048e+02 -1.180899997e+02 -1.180899997e+02 -3.590619312e+02 -3.590619312e+02 1.12 -2.338353451e+02 -2.338353451e+02 -3.234958932e+02 -3.234958932e+02 -1.058327332e+02 -1.058327332e+02 -3.364860825e+02 -3.364860825e+02 1.14 -2.196646026e+02 -2.196646026e+02 -3.028099518e+02 -3.028099518e+02 -9.434085945e+01 -9.434085945e+01 -3.155939339e+02 -3.155939339e+02 1.16 -2.075886540e+02 -2.075886540e+02 -2.830408630e+02 -2.830408630e+02 -8.487956966e+01 -8.487956966e+01 -2.972327868e+02 -2.972327868e+02 1.18 -1.966152175e+02 -1.966152175e+02 -2.644271727e+02 -2.644271727e+02 -7.764783388e+01 -7.764783388e+01 -2.808409041e+02 -2.808409041e+02 1.20 -1.855634222e+02 -1.855634222e+02 -2.483702266e+02 -2.483702266e+02 -7.246380700e+01 -7.246380700e+01 -2.659561095e+02 -2.659561095e+02 1.22 -1.742966090e+02 -1.742966090e+02 -2.351651694e+02 -2.351651694e+02 -6.903162830e+01 -6.903162830e+01 -2.522234706e+02 -2.522234706e+02 1.24 -1.632939706e+02 -1.632939706e+02 -2.233715497e+02 -2.233715497e+02 -6.637082823e+01 -6.637082823e+01 -2.394077333e+02 -2.394077333e+02 1.26 -1.524764380e+02 -1.524764380e+02 -2.117772315e+02 -2.117772315e+02 -6.319221624e+01 -6.319221624e+01 -2.275779951e+02 -2.275779951e+02 1.28 -1.417326520e+02 -1.417326520e+02 -2.015084573e+02 -2.015084573e+02 -5.951165203e+01 -5.951165203e+01 -2.162663865e+02 -2.162663865e+02 1.30 -1.305114863e+02 -1.305114863e+02 -1.916437358e+02 -1.916437358e+02 -5.554456038e+01 -5.554456038e+01 -2.049585992e+02 -2.049585992e+02 1.32 -1.189693020e+02 -1.189693020e+02 -1.819830394e+02 -1.819830394e+02 -5.153814906e+01 -5.153814906e+01 -1.937629485e+02 -1.937629485e+02 1.34 -1.067713788e+02 -1.067713788e+02 -1.720054276e+02 -1.720054276e+02 -4.737137257e+01 -4.737137257e+01 -1.828839323e+02 -1.828839323e+02 1.36 -9.496528350e+01 -9.496528350e+01 -1.624446263e+02 -1.624446263e+02 -4.319781868e+01 -4.319781868e+01 -1.723803906e+02 -1.723803906e+02 1.38 -8.413806848e+01 -8.413806848e+01 -1.534320024e+02 -1.534320024e+02 -3.890709784e+01 -3.890709784e+01 -1.623114412e+02 -1.623114412e+02 1.40 -7.483347338e+01 -7.483347338e+01 -1.456632256e+02 -1.456632256e+02 -3.519664973e+01 -3.519664973e+01 -1.530507756e+02 -1.530507756e+02 1.42 -6.734922033e+01 -6.734922033e+01 -1.382206443e+02 -1.382206443e+02 -3.168114519e+01 -3.168114519e+01 -1.448461461e+02 -1.448461461e+02 1.44 -6.103416278e+01 -6.103416278e+01 -1.305756358e+02 -1.305756358e+02 -2.833805929e+01 -2.833805929e+01 -1.375557026e+02 -1.375557026e+02 1.46 -5.554368953e+01 -5.554368953e+01 -1.230428568e+02 -1.230428568e+02 -2.506572229e+01 -2.506572229e+01 -1.305348134e+02 -1.305348134e+02 1.48 -5.014467938e+01 -5.014467938e+01 -1.151286601e+02 -1.151286601e+02 -2.151969573e+01 -2.151969573e+01 -1.233416771e+02 -1.233416771e+02 1.50 -4.488531971e+01 -4.488531971e+01 -1.073245227e+02 -1.073245227e+02 -1.767926113e+01 -1.767926113e+01 -1.160612514e+02 -1.160612514e+02 1.52 -3.990169859e+01 -3.990169859e+01 -9.988288361e+01 -9.988288361e+01 -1.392600319e+01 -1.392600319e+01 -1.087530387e+02 -1.087530387e+02 1.54 -3.533651961e+01 -3.533651961e+01 -9.280171255e+01 -9.280171255e+01 -1.038084315e+01 -1.038084315e+01 -1.013139161e+02 -1.013139161e+02 1.56 -3.127858402e+01 -3.127858402e+01 -8.577836176e+01 -8.577836176e+01 -7.453260267e+00 -7.453260267e+00 -9.382170077e+01 -9.382170077e+01 1.58 -2.773495687e+01 -2.773495687e+01 -7.850158509e+01 -7.850158509e+01 -5.239629273e+00 -5.239629273e+00 -8.628297351e+01 -8.628297351e+01 1.60 -2.461686213e+01 -2.461686213e+01 -7.057178435e+01 -7.057178435e+01 -3.601143847e+00 -3.601143847e+00 -7.879962356e+01 -7.879962356e+01 1.62 -2.231134089e+01 -2.231134089e+01 -6.182006809e+01 -6.182006809e+01 -2.373460755e+00 -2.373460755e+00 -7.148204156e+01 -7.148204156e+01 1.64 -2.001744357e+01 -2.001744357e+01 -5.277553953e+01 -5.277553953e+01 -1.524997387e+00 -1.524997387e+00 -6.396416194e+01 -6.396416194e+01 1.66 -1.779861633e+01 -1.779861633e+01 -4.422729136e+01 -4.422729136e+01 -1.004497332e+00 -1.004497332e+00 -5.653110399e+01 -5.653110399e+01 1.68 -1.587489953e+01 -1.587489953e+01 -3.616178991e+01 -3.616178991e+01 -6.615091584e-01 -6.615091584e-01 -4.917709131e+01 -4.917709131e+01 1.70 -1.399035789e+01 -1.399035789e+01 -2.875622259e+01 -2.875622259e+01 -4.166031215e-01 -4.166031215e-01 -4.218465681e+01 -4.218465681e+01 1.72 -1.217714503e+01 -1.217714503e+01 -2.201680862e+01 -2.201680862e+01 -2.675472849e-01 -2.675472849e-01 -3.550898509e+01 -3.550898509e+01 1.74 -1.040757343e+01 -1.040757343e+01 -1.617379079e+01 -1.617379079e+01 -2.299128786e-01 -2.299128786e-01 -2.924888220e+01 -2.924888220e+01 1.76 -8.761598367e+00 -8.761598367e+00 -1.126950442e+01 -1.126950442e+01 -2.530416226e-01 -2.530416226e-01 -2.327570169e+01 -2.327570169e+01 1.78 -7.323941476e+00 -7.323941476e+00 -7.161910131e+00 -7.161910131e+00 -2.996743146e-01 -2.996743146e-01 -1.758541142e+01 -1.758541142e+01 1.80 -6.040155981e+00 -6.040155981e+00 -4.314832487e+00 -4.314832487e+00 -3.494606828e-01 -3.494606828e-01 -1.225118383e+01 -1.225118383e+01 1.82 -4.949360031e+00 -4.949360031e+00 -2.331619277e+00 -2.331619277e+00 -3.998414319e-01 -3.998414319e-01 -7.596882538e+00 -7.596882538e+00 1.84 -3.899639966e+00 -3.899639966e+00 -9.816326112e-01 -9.816326112e-01 -4.518808828e-01 -4.518808828e-01 -4.104956849e+00 -4.104956849e+00 1.86 -2.983406857e+00 -2.983406857e+00 -1.088146051e-01 -1.088146051e-01 -5.074343151e-01 -5.074343151e-01 -1.817527475e+00 -1.817527475e+00 1.88 -2.247237989e+00 -2.247237989e+00 3.684900882e-01 3.684900882e-01 -5.693114306e-01 -5.693114306e-01 -3.950545762e-01 -3.950545762e-01 1.90 -1.729777136e+00 -1.729777136e+00 5.541219397e-01 5.541219397e-01 -6.397192524e-01 -6.397192524e-01 4.083632459e-01 4.083632459e-01 1.92 -1.375326715e+00 -1.375326715e+00 5.467470646e-01 5.467470646e-01 -7.187177116e-01 -7.187177116e-01 7.795174855e-01 7.795174855e-01 1.94 -1.165400288e+00 -1.165400288e+00 4.164235635e-01 4.164235635e-01 -8.050549924e-01 -8.050549924e-01 8.297959435e-01 8.297959435e-01 1.96 -1.070323883e+00 -1.070323883e+00 2.044314344e-01 2.044314344e-01 -8.974029587e-01 -8.974029587e-01 6.890147870e-01 6.890147870e-01 1.98 -1.054314627e+00 -1.054314627e+00 -6.241242094e-02 -6.241242094e-02 -9.952948163e-01 -9.952948163e-01 4.467608686e-01 4.467608686e-01 2.00 -1.083104121e+00 -1.083104120e+00 -3.712548584e-01 -3.712506044e-01 -1.099589306e+00 -1.099589286e+00 1.488540068e-01 1.488540068e-01 2.02 -1.157200392e+00 -1.157200392e+00 -7.141315923e-01 -7.141315923e-01 -1.210478922e+00 -1.210478922e+00 -1.716865624e-01 -1.716865624e-01 2.04 -1.312252566e+00 -1.312252566e+00 -1.064415701e+00 -1.064415701e+00 -1.325550806e+00 -1.325550806e+00 -4.915543187e-01 -4.915543187e-01 2.06 -1.530167372e+00 -1.530167372e+00 -1.420879769e+00 -1.420879769e+00 -1.443942112e+00 -1.443942112e+00 -8.123415135e-01 -8.123415135e-01 2.08 -1.771840173e+00 -1.771840173e+00 -1.774576555e+00 -1.774576555e+00 -1.563586842e+00 -1.563586842e+00 -1.133480132e+00 -1.133480132e+00 2.10 -2.006775735e+00 -2.006775735e+00 -2.114262875e+00 -2.114262875e+00 -1.681990423e+00 -1.681990423e+00 -1.445028524e+00 -1.445028524e+00 2.12 -2.219937689e+00 -2.219937689e+00 -2.426880925e+00 -2.426880925e+00 -1.796293472e+00 -1.796293472e+00 -1.745516230e+00 -1.745516230e+00 2.14 -2.411832551e+00 -2.411832551e+00 -2.715135794e+00 -2.715135794e+00 -1.907215702e+00 -1.907215702e+00 -2.030173722e+00 -2.030173722e+00 2.16 -2.586021251e+00 -2.586021251e+00 -2.953244968e+00 -2.953244968e+00 -2.007289138e+00 -2.007289138e+00 -2.295360124e+00 -2.295360124e+00 2.18 -2.743324424e+00 -2.743324424e+00 -3.146024149e+00 -3.146024149e+00 -2.095909019e+00 -2.095909019e+00 -2.537951003e+00 -2.537951003e+00 2.20 -2.883281029e+00 -2.883281029e+00 -3.295979074e+00 -3.295979074e+00 -2.171584131e+00 -2.171584131e+00 -2.760430622e+00 -2.760430622e+00 2.22 -3.004964453e+00 -3.004964453e+00 -3.408734441e+00 -3.408734441e+00 -2.234158681e+00 -2.234158681e+00 -2.955278682e+00 -2.955278682e+00 2.24 -3.109013724e+00 -3.109013724e+00 -3.491115335e+00 -3.491115335e+00 -2.285182051e+00 -2.285182051e+00 -3.130150693e+00 -3.130150693e+00 2.26 -3.196514895e+00 -3.196514895e+00 -3.548405253e+00 -3.548405253e+00 -2.326323810e+00 -2.326323810e+00 -3.283033008e+00 -3.283033008e+00 2.28 -3.269109244e+00 -3.269109244e+00 -3.587834520e+00 -3.587834520e+00 -2.358892757e+00 -2.358892757e+00 -3.416790006e+00 -3.416790006e+00 2.30 -3.328495441e+00 -3.328495441e+00 -3.616438113e+00 -3.616438113e+00 -2.383865432e+00 -2.383865432e+00 -3.535576979e+00 -3.535576979e+00 2.32 -3.376190746e+00 -3.376190746e+00 -3.641223880e+00 -3.641223880e+00 -2.401964818e+00 -2.401964818e+00 -3.634862924e+00 -3.634862924e+00 2.34 -3.413258093e+00 -3.413258093e+00 -3.669379326e+00 -3.669379326e+00 -2.413820819e+00 -2.413820819e+00 -3.717143043e+00 -3.717143043e+00 2.36 -3.440340228e+00 -3.440340228e+00 -3.697395022e+00 -3.697395022e+00 -2.420069626e+00 -2.420069626e+00 -3.783660013e+00 -3.783660013e+00 2.38 -3.457581822e+00 -3.457581822e+00 -3.728511378e+00 -3.728511378e+00 -2.421286287e+00 -2.421286287e+00 -3.836606313e+00 -3.836606313e+00 2.40 -3.464662683e+00 -3.464662683e+00 -3.759475491e+00 -3.759475491e+00 -2.420839263e+00 -2.420839263e+00 -3.878540809e+00 -3.878540809e+00 2.42 -3.461107104e+00 -3.461107104e+00 -3.790740385e+00 -3.790740385e+00 -2.415608226e+00 -2.415608226e+00 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