# 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 = CoFe # 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 -5.900712106e+02 -5.900712106e+02 nan nan 0.84 nan nan nan nan -5.457729871e+02 -5.457729871e+02 nan nan 0.86 nan nan nan nan -5.045898597e+02 -5.045898597e+02 nan nan 0.88 nan nan nan nan -4.662229867e+02 -4.662229867e+02 nan nan 0.90 nan nan nan nan -4.303577572e+02 -4.303577572e+02 nan nan 0.92 -6.548668880e+02 -6.548668880e+02 nan nan -3.969749340e+02 -3.969749340e+02 nan nan 0.94 -6.117843737e+02 -6.117843737e+02 nan nan -3.666733755e+02 -3.666733755e+02 nan nan 0.96 -5.711770315e+02 -5.711770315e+02 nan nan -3.391696444e+02 -3.391696444e+02 nan nan 0.98 -5.328988282e+02 -5.328988282e+02 nan nan -3.137237540e+02 -3.137237540e+02 nan nan 1.00 -4.969353034e+02 -4.969353034e+02 nan nan -2.897746258e+02 -2.897746258e+02 nan nan 1.02 -4.637479613e+02 -4.637479613e+02 nan nan -2.671819810e+02 -2.671819810e+02 nan nan 1.04 -4.332848336e+02 -4.332848336e+02 -5.811717237e+02 -5.811717237e+02 -2.458588460e+02 -2.458588460e+02 -6.138584053e+02 -6.138584053e+02 1.06 -4.055653782e+02 -4.055653782e+02 -5.485458112e+02 -5.485458112e+02 -2.260147617e+02 -2.260147617e+02 -5.787272224e+02 -5.787272224e+02 1.08 -3.807289411e+02 -3.807289411e+02 -5.182761893e+02 -5.182761893e+02 -2.077029392e+02 -2.077029392e+02 -5.459047371e+02 -5.459047371e+02 1.10 -3.584704014e+02 -3.584704014e+02 -4.897598846e+02 -4.897598846e+02 -1.909496115e+02 -1.909496115e+02 -5.150521088e+02 -5.150521088e+02 1.12 -3.381540714e+02 -3.381540714e+02 -4.625859067e+02 -4.625859067e+02 -1.756953387e+02 -1.756953387e+02 -4.859072299e+02 -4.859072299e+02 1.14 -3.191508299e+02 -3.191508299e+02 -4.366399565e+02 -4.366399565e+02 -1.618064619e+02 -1.618064619e+02 -4.582011205e+02 -4.582011205e+02 1.16 -3.010354836e+02 -3.010354836e+02 -4.120317627e+02 -4.120317627e+02 -1.490160096e+02 -1.490160096e+02 -4.320336757e+02 -4.320336757e+02 1.18 -2.836429065e+02 -2.836429065e+02 -3.884259365e+02 -3.884259365e+02 -1.369747473e+02 -1.369747473e+02 -4.076788504e+02 -4.076788504e+02 1.20 -2.669628279e+02 -2.669628279e+02 -3.657124727e+02 -3.657124727e+02 -1.256120210e+02 -1.256120210e+02 -3.852154345e+02 -3.852154345e+02 1.22 -2.509007997e+02 -2.509007997e+02 -3.440770848e+02 -3.440770848e+02 -1.149702148e+02 -1.149702148e+02 -3.644582693e+02 -3.644582693e+02 1.24 -2.353189361e+02 -2.353189361e+02 -3.238583577e+02 -3.238583577e+02 -1.051552143e+02 -1.051552143e+02 -3.450626126e+02 -3.450626126e+02 1.26 -2.201479117e+02 -2.201479117e+02 -3.054281076e+02 -3.054281076e+02 -9.639829701e+01 -9.639829701e+01 -3.267980899e+02 -3.267980899e+02 1.28 -2.054259629e+02 -2.054259629e+02 -2.888811402e+02 -2.888811402e+02 -8.880665769e+01 -8.880665769e+01 -3.096103714e+02 -3.096103714e+02 1.30 -1.913401017e+02 -1.913401017e+02 -2.738900525e+02 -2.738900525e+02 -8.213967355e+01 -8.213967355e+01 -2.934012567e+02 -2.934012567e+02 1.32 -1.780544093e+02 -1.780544093e+02 -2.601546339e+02 -2.601546339e+02 -7.610413188e+01 -7.610413188e+01 -2.780548179e+02 -2.780548179e+02 1.34 -1.654119791e+02 -1.654119791e+02 -2.473519995e+02 -2.473519995e+02 -7.047851642e+01 -7.047851642e+01 -2.634508587e+02 -2.634508587e+02 1.36 -1.533022005e+02 -1.533022005e+02 -2.352481693e+02 -2.352481693e+02 -6.517943300e+01 -6.517943300e+01 -2.495339880e+02 -2.495339880e+02 1.38 -1.416452892e+02 -1.416452892e+02 -2.235129421e+02 -2.235129421e+02 -6.008567634e+01 -6.008567634e+01 -2.362913588e+02 -2.362913588e+02 1.40 -1.304231110e+02 -1.304231110e+02 -2.120102980e+02 -2.120102980e+02 -5.512610991e+01 -5.512610991e+01 -2.236722779e+02 -2.236722779e+02 1.42 -1.197338449e+02 -1.197338449e+02 -2.006670983e+02 -2.006670983e+02 -5.021351084e+01 -5.021351084e+01 -2.115111397e+02 -2.115111397e+02 1.44 -1.097369160e+02 -1.097369160e+02 -1.894755181e+02 -1.894755181e+02 -4.530597426e+01 -4.530597426e+01 -1.997755284e+02 -1.997755284e+02 1.46 -1.006042787e+02 -1.006042787e+02 -1.784288011e+02 -1.784288011e+02 -4.041696725e+01 -4.041696725e+01 -1.884589201e+02 -1.884589201e+02 1.48 -9.231364308e+01 -9.231364308e+01 -1.673926976e+02 -1.673926976e+02 -3.554396798e+01 -3.554396798e+01 -1.775983901e+02 -1.775983901e+02 1.50 -8.474720015e+01 -8.474720015e+01 -1.563902448e+02 -1.563902448e+02 -3.074924722e+01 -3.074924722e+01 -1.671998480e+02 -1.671998480e+02 1.52 -7.771438369e+01 -7.771438369e+01 -1.454859846e+02 -1.454859846e+02 -2.605523468e+01 -2.605523468e+01 -1.572053661e+02 -1.572053661e+02 1.54 -7.107551617e+01 -7.107551617e+01 -1.347693963e+02 -1.347693963e+02 -2.161866534e+01 -2.161866534e+01 -1.476016056e+02 -1.476016056e+02 1.56 -6.475035589e+01 -6.475035589e+01 -1.243474887e+02 -1.243474887e+02 -1.757971299e+01 -1.757971299e+01 -1.383280780e+02 -1.383280780e+02 1.58 -5.869149030e+01 -5.869149030e+01 -1.143671675e+02 -1.143671675e+02 -1.390035917e+01 -1.390035917e+01 -1.292885542e+02 -1.292885542e+02 1.60 -5.287044901e+01 -5.287044901e+01 -1.049885490e+02 -1.049885490e+02 -1.061117178e+01 -1.061117178e+01 -1.204321217e+02 -1.204321217e+02 1.62 -4.725939172e+01 -4.725939172e+01 -9.618021657e+01 -9.618021657e+01 -7.921065543e+00 -7.921065543e+00 -1.117545590e+02 -1.117545590e+02 1.64 -4.183671134e+01 -4.183671134e+01 -8.791085824e+01 -8.791085824e+01 -5.830139302e+00 -5.830139302e+00 -1.032126122e+02 -1.032126122e+02 1.66 -3.661733564e+01 -3.661733564e+01 -8.014641134e+01 -8.014641134e+01 -4.226296394e+00 -4.226296394e+00 -9.484255987e+01 -9.484255987e+01 1.68 -3.166246013e+01 -3.166246013e+01 -7.284935839e+01 -7.284935839e+01 -2.942052647e+00 -2.942052647e+00 -8.663279791e+01 -8.663279791e+01 1.70 -2.694876276e+01 -2.694876276e+01 -6.594671911e+01 -6.594671911e+01 -1.929200889e+00 -1.929200889e+00 -7.863048785e+01 -7.863048785e+01 1.72 -2.258804677e+01 -2.258804677e+01 -5.935784570e+01 -5.935784570e+01 -1.152788096e+00 -1.152788096e+00 -7.087296517e+01 -7.087296517e+01 1.74 -1.880262707e+01 -1.880262707e+01 -5.302032208e+01 -5.302032208e+01 -5.842901607e-01 -5.842901607e-01 -6.341936095e+01 -6.341936095e+01 1.76 -1.547035380e+01 -1.547035380e+01 -4.695436100e+01 -4.695436100e+01 -1.965401773e-01 -1.965401773e-01 -5.631740444e+01 -5.631740444e+01 1.78 -1.249843859e+01 -1.249843859e+01 -4.110967464e+01 -4.110967464e+01 4.208118861e-02 4.208118861e-02 -4.962490854e+01 -4.962490854e+01 1.80 -9.864335882e+00 -9.864335882e+00 -3.551003273e+01 -3.551003273e+01 1.846618244e-01 1.846618244e-01 -4.338282600e+01 -4.338282600e+01 1.82 -7.760346499e+00 -7.760346499e+00 -3.016861578e+01 -3.016861578e+01 2.311136309e-01 2.311136309e-01 -3.755900674e+01 -3.755900674e+01 1.84 -6.185935871e+00 -6.185935871e+00 -2.509762833e+01 -2.509762833e+01 1.701521991e-01 1.701521991e-01 -3.213264554e+01 -3.213264554e+01 1.86 -4.998004449e+00 -4.998004449e+00 -2.029485250e+01 -2.029485250e+01 6.975793239e-02 6.975793239e-02 -2.708902032e+01 -2.708902032e+01 1.88 -4.086925065e+00 -4.086925065e+00 -1.576692953e+01 -1.576692953e+01 -3.465884093e-02 -3.465884093e-02 -2.240753393e+01 -2.240753393e+01 1.90 -3.391350266e+00 -3.391350266e+00 -1.185022534e+01 -1.185022534e+01 -1.333938709e-01 -1.333938709e-01 -1.809700713e+01 -1.809700713e+01 1.92 -2.851284317e+00 -2.851284317e+00 -8.684803326e+00 -8.684803326e+00 -2.306650579e-01 -2.306650579e-01 -1.438868587e+01 -1.438868587e+01 1.94 -2.441240190e+00 -2.441240190e+00 -6.372557670e+00 -6.372557670e+00 -3.330640592e-01 -3.330640592e-01 -1.120006708e+01 -1.120006708e+01 1.96 -2.141217518e+00 -2.141217518e+00 -4.744738458e+00 -4.744738458e+00 -4.427015981e-01 -4.427015981e-01 -8.437474812e+00 -8.437474812e+00 1.98 -1.936327006e+00 -1.936327006e+00 -3.631835298e+00 -3.631835298e+00 -5.595691196e-01 -5.595691196e-01 -6.204393904e+00 -6.204393904e+00 2.00 -1.813899144e+00 -1.813899145e+00 -2.903228436e+00 -2.903230661e+00 -6.833947634e-01 -6.833947132e-01 -4.613896461e+00 -4.613896461e+00 2.02 -1.764316781e+00 -1.764316781e+00 -2.462276880e+00 -2.462276880e+00 -8.134180862e-01 -8.134180862e-01 -3.536768497e+00 -3.536768497e+00 2.04 -1.775064924e+00 -1.775064924e+00 -2.231993030e+00 -2.231993030e+00 -9.484305494e-01 -9.484305494e-01 -2.857494668e+00 -2.857494668e+00 2.06 -1.832095072e+00 -1.832095072e+00 -2.158699279e+00 -2.158699279e+00 -1.086885623e+00 -1.086885623e+00 -2.479110679e+00 -2.479110679e+00 2.08 -1.928020434e+00 -1.928020434e+00 -2.197401927e+00 -2.197401927e+00 -1.226512598e+00 -1.226512598e+00 -2.320622293e+00 -2.320622293e+00 2.10 -2.059389028e+00 -2.059389028e+00 -2.311349457e+00 -2.311349457e+00 -1.365116132e+00 -1.365116132e+00 -2.311980083e+00 -2.311980083e+00 2.12 -2.226987326e+00 -2.226987326e+00 -2.471464114e+00 -2.471464114e+00 -1.500770338e+00 -1.500770338e+00 -2.403638575e+00 -2.403638575e+00 2.14 -2.435598037e+00 -2.435598037e+00 -2.661388441e+00 -2.661388441e+00 -1.640686344e+00 -1.640686344e+00 -2.556306673e+00 -2.556306673e+00 2.16 -2.661744108e+00 -2.661744108e+00 -2.857121908e+00 -2.857121908e+00 -1.774091514e+00 -1.774091514e+00 -2.741935115e+00 -2.741935115e+00 2.18 -2.876233628e+00 -2.876233628e+00 -3.049916325e+00 -3.049916325e+00 -1.904132056e+00 -1.904132056e+00 -2.939274098e+00 -2.939274098e+00 2.20 -3.063404523e+00 -3.063404523e+00 -3.231971955e+00 -3.231971955e+00 -2.027825494e+00 -2.027825494e+00 -3.131689942e+00 -3.131689942e+00 2.22 -3.220216464e+00 -3.220216464e+00 -3.399898685e+00 -3.399898685e+00 -2.139929872e+00 -2.139929872e+00 -3.306406088e+00 -3.306406088e+00 2.24 -3.345682133e+00 -3.345682133e+00 -3.553557936e+00 -3.553557936e+00 -2.236175526e+00 -2.236175526e+00 -3.462213886e+00 -3.462213886e+00 2.26 -3.441311223e+00 -3.441311223e+00 -3.693126788e+00 -3.693126788e+00 -2.312845009e+00 -2.312845009e+00 -3.596771131e+00 -3.596771131e+00 2.28 -3.511255171e+00 -3.511255171e+00 -3.817991397e+00 -3.817991397e+00 -2.367037178e+00 -2.367037178e+00 -3.718484333e+00 -3.718484333e+00 2.30 -3.558395820e+00 -3.558395820e+00 -3.926902109e+00 -3.926902109e+00 -2.397040594e+00 -2.397040594e+00 -3.832569153e+00 -3.832569153e+00 2.32 -3.585113139e+00 -3.585113139e+00 -4.019119956e+00 -4.019119956e+00 -2.402662485e+00 -2.402662485e+00 -3.942192786e+00 -3.942192786e+00 2.34 -3.593636921e+00 -3.593636921e+00 -4.102299437e+00 -4.102299437e+00 -2.385515635e+00 -2.385515635e+00 -4.043730961e+00 -4.043730961e+00 2.36 -3.586191029e+00 -3.586191029e+00 -4.166671094e+00 -4.166671094e+00 -2.348844351e+00 -2.348844351e+00 -4.133530341e+00 -4.133530341e+00 2.38 -3.565087092e+00 -3.565087092e+00 -4.216959765e+00 -4.216959765e+00 -2.296422040e+00 -2.296422040e+00 -4.209485827e+00 -4.209485827e+00 2.40 -3.532815834e+00 -3.532815834e+00 -4.252813038e+00 -4.252813038e+00 -2.245036659e+00 -2.245036659e+00 -4.271078723e+00 -4.271078723e+00 2.42 -3.492089488e+00 -3.492089488e+00 -4.278404747e+00 -4.278404747e+00 -2.182361649e+00 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