# 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 = CuFe # 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 -5.730043270e+02 -5.730043270e+02 nan nan 0.84 nan nan nan nan -5.291126139e+02 -5.291126139e+02 nan nan 0.86 nan nan nan nan -4.883183368e+02 -4.883183368e+02 nan nan 0.88 nan nan nan nan -4.507305900e+02 -4.507305900e+02 nan nan 0.90 nan nan nan nan -4.167091878e+02 -4.167091878e+02 nan nan 0.92 -6.335370285e+02 -6.335370285e+02 nan nan -3.855485326e+02 -3.855485326e+02 nan nan 0.94 -5.909295000e+02 -5.909295000e+02 nan nan -3.561255785e+02 -3.561255785e+02 nan nan 0.96 -5.502992456e+02 -5.502992456e+02 nan nan -3.282293343e+02 -3.282293343e+02 nan nan 0.98 -5.131070949e+02 -5.131070949e+02 nan nan -3.021544675e+02 -3.021544675e+02 nan nan 1.00 -4.796427900e+02 -4.796427900e+02 nan nan -2.778408915e+02 -2.778408915e+02 nan nan 1.02 -4.488687568e+02 -4.488687568e+02 nan nan -2.553909183e+02 -2.553909183e+02 nan nan 1.04 -4.201722925e+02 -4.201722925e+02 -5.628764724e+02 -5.628764724e+02 -2.342739256e+02 -2.342739256e+02 -5.952294279e+02 -5.952294279e+02 1.06 -3.939224652e+02 -3.939224652e+02 -5.310241576e+02 -5.310241576e+02 -2.147155278e+02 -2.147155278e+02 -5.614328349e+02 -5.614328349e+02 1.08 -3.695981703e+02 -3.695981703e+02 -5.012110080e+02 -5.012110080e+02 -1.967231743e+02 -1.967231743e+02 -5.293874972e+02 -5.293874972e+02 1.10 -3.468391452e+02 -3.468391452e+02 -4.730823254e+02 -4.730823254e+02 -1.802424245e+02 -1.802424245e+02 -4.985234377e+02 -4.985234377e+02 1.12 -3.260006137e+02 -3.260006137e+02 -4.459191825e+02 -4.459191825e+02 -1.650595929e+02 -1.650595929e+02 -4.689787422e+02 -4.689787422e+02 1.14 -3.071607464e+02 -3.071607464e+02 -4.197241965e+02 -4.197241965e+02 -1.511614189e+02 -1.511614189e+02 -4.411091712e+02 -4.411091712e+02 1.16 -2.901118684e+02 -2.901118684e+02 -3.952486650e+02 -3.952486650e+02 -1.389712423e+02 -1.389712423e+02 -4.154482672e+02 -4.154482672e+02 1.18 -2.741021294e+02 -2.741021294e+02 -3.722061127e+02 -3.722061127e+02 -1.282458486e+02 -1.282458486e+02 -3.919512722e+02 -3.919512722e+02 1.20 -2.584336832e+02 -2.584336832e+02 -3.510807409e+02 -3.510807409e+02 -1.188678631e+02 -1.188678631e+02 -3.704006398e+02 -3.704006398e+02 1.22 -2.429778513e+02 -2.429778513e+02 -3.319076041e+02 -3.319076041e+02 -1.106391214e+02 -1.106391214e+02 -3.504815370e+02 -3.504815370e+02 1.24 -2.279330032e+02 -2.279330032e+02 -3.138895932e+02 -3.138895932e+02 -1.030293002e+02 -1.030293002e+02 -3.318517668e+02 -3.318517668e+02 1.26 -2.133137892e+02 -2.133137892e+02 -2.967572442e+02 -2.967572442e+02 -9.568747471e+01 -9.568747471e+01 -3.144271965e+02 -3.144271965e+02 1.28 -1.990605950e+02 -1.990605950e+02 -2.811787878e+02 -2.811787878e+02 -8.878809467e+01 -8.878809467e+01 -2.980376400e+02 -2.980376400e+02 1.30 -1.849827679e+02 -1.849827679e+02 -2.667376518e+02 -2.667376518e+02 -8.232227348e+01 -8.232227348e+01 -2.823486465e+02 -2.823486465e+02 1.32 -1.711661275e+02 -1.711661275e+02 -2.530720569e+02 -2.530720569e+02 -7.617544175e+01 -7.617544175e+01 -2.673182958e+02 -2.673182958e+02 1.34 -1.572715946e+02 -1.572715946e+02 -2.396941776e+02 -2.396941776e+02 -7.013194414e+01 -7.013194414e+01 -2.529909874e+02 -2.529909874e+02 1.36 -1.437285111e+02 -1.437285111e+02 -2.268767110e+02 -2.268767110e+02 -6.427208415e+01 -6.427208415e+01 -2.393727794e+02 -2.393727794e+02 1.38 -1.309372568e+02 -1.309372568e+02 -2.145827441e+02 -2.145827441e+02 -5.854077958e+01 -5.854077958e+01 -2.264611120e+02 -2.264611120e+02 1.40 -1.191923185e+02 -1.191923185e+02 -2.030793149e+02 -2.030793149e+02 -5.319539996e+01 -5.319539996e+01 -2.143986637e+02 -2.143986637e+02 1.42 -1.086835096e+02 -1.086835096e+02 -1.919538346e+02 -1.919538346e+02 -4.804092323e+01 -4.804092323e+01 -2.031401472e+02 -2.031401472e+02 1.44 -9.925131448e+01 -9.925131448e+01 -1.808962860e+02 -1.808962860e+02 -4.298880337e+01 -4.298880337e+01 -1.925497040e+02 -1.925497040e+02 1.46 -9.086170129e+01 -9.086170129e+01 -1.700058763e+02 -1.700058763e+02 -3.800834346e+01 -3.800834346e+01 -1.822045364e+02 -1.822045364e+02 1.48 -8.315030161e+01 -8.315030161e+01 -1.590553155e+02 -1.590553155e+02 -3.297752617e+01 -3.297752617e+01 -1.718793669e+02 -1.718793669e+02 1.50 -7.602458807e+01 -7.602458807e+01 -1.483186328e+02 -1.483186328e+02 -2.796179798e+01 -2.796179798e+01 -1.616559305e+02 -1.616559305e+02 1.52 -6.938163977e+01 -6.938163977e+01 -1.379661713e+02 -1.379661713e+02 -2.336637617e+01 -2.336637617e+01 -1.515813758e+02 -1.515813758e+02 1.54 -6.318762247e+01 -6.318762247e+01 -1.280308079e+02 -1.280308079e+02 -1.920890273e+01 -1.920890273e+01 -1.417098574e+02 -1.417098574e+02 1.56 -5.746158963e+01 -5.746158963e+01 -1.183884832e+02 -1.183884832e+02 -1.535937555e+01 -1.535937555e+01 -1.320762514e+02 -1.320762514e+02 1.58 -5.220979272e+01 -5.220979272e+01 -1.088831690e+02 -1.088831690e+02 -1.179425280e+01 -1.179425280e+01 -1.226352864e+02 -1.226352864e+02 1.60 -4.737760051e+01 -4.737760051e+01 -9.939631356e+01 -9.939631356e+01 -8.560032745e+00 -8.560032745e+00 -1.134011445e+02 -1.134011445e+02 1.62 -4.301988324e+01 -4.301988324e+01 -8.978951953e+01 -8.978951953e+01 -5.903357179e+00 -5.903357179e+00 -1.044038216e+02 -1.044038216e+02 1.64 -3.877612290e+01 -3.877612290e+01 -8.034225342e+01 -8.034225342e+01 -3.918182788e+00 -3.918182788e+00 -9.545342857e+01 -9.545342857e+01 1.66 -3.461335834e+01 -3.461335834e+01 -7.143879302e+01 -7.143879302e+01 -2.515123565e+00 -2.515123565e+00 -8.672221096e+01 -8.672221096e+01 1.68 -3.067970238e+01 -3.067970238e+01 -6.315247472e+01 -6.315247472e+01 -1.436200915e+00 -1.436200915e+00 -7.820099127e+01 -7.820099127e+01 1.70 -2.684222977e+01 -2.684222977e+01 -5.553650554e+01 -5.553650554e+01 -6.622192028e-01 -6.622192028e-01 -7.005123838e+01 -7.005123838e+01 1.72 -2.331695621e+01 -2.331695621e+01 -4.854980579e+01 -4.854980579e+01 -1.671058551e-01 -1.671058551e-01 -6.228486823e+01 -6.228486823e+01 1.74 -2.009756961e+01 -2.009756961e+01 -4.221908048e+01 -4.221908048e+01 9.210369723e-02 9.210369723e-02 -5.495654614e+01 -5.495654614e+01 1.76 -1.704589415e+01 -1.704589415e+01 -3.659312278e+01 -3.659312278e+01 1.815491526e-01 1.815491526e-01 -4.799115276e+01 -4.799115276e+01 1.78 -1.412042776e+01 -1.412042776e+01 -3.143840827e+01 -3.143840827e+01 1.911778994e-01 1.911778994e-01 -4.139155501e+01 -4.139155501e+01 1.80 -1.130117608e+01 -1.130117608e+01 -2.667144179e+01 -2.667144179e+01 1.484816697e-01 1.484816697e-01 -3.521784911e+01 -3.521784911e+01 1.82 -8.750551828e+00 -8.750551828e+00 -2.215687619e+01 -2.215687619e+01 6.645271379e-02 6.645271379e-02 -2.945546886e+01 -2.945546886e+01 1.84 -6.666923685e+00 -6.666923685e+00 -1.785216540e+01 -1.785216540e+01 -3.017191199e-02 -3.017191199e-02 -2.417105338e+01 -2.417105338e+01 1.86 -4.996077777e+00 -4.996077777e+00 -1.375721406e+01 -1.375721406e+01 -1.179162177e-01 -1.179162177e-01 -1.942616177e+01 -1.942616177e+01 1.88 -3.681990557e+00 -3.681990557e+00 -1.013918550e+01 -1.013918550e+01 -1.998216917e-01 -1.998216917e-01 -1.554697340e+01 -1.554697340e+01 1.90 -2.708174544e+00 -2.708174544e+00 -7.412868818e+00 -7.412868818e+00 -2.833721154e-01 -2.833721154e-01 -1.238502833e+01 -1.238502833e+01 1.92 -1.986094200e+00 -1.986094200e+00 -5.433419724e+00 -5.433419724e+00 -3.738343260e-01 -3.738343260e-01 -9.744859024e+00 -9.744859024e+00 1.94 -1.478096266e+00 -1.478096266e+00 -4.015587848e+00 -4.015587848e+00 -4.720903285e-01 -4.720903285e-01 -7.535630882e+00 -7.535630882e+00 1.96 -1.148679513e+00 -1.148679513e+00 -3.030413173e+00 -3.030413173e+00 -5.768355094e-01 -5.768355094e-01 -5.690285975e+00 -5.690285975e+00 1.98 -9.691189908e-01 -9.691189908e-01 -2.380056942e+00 -2.380056942e+00 -6.870681125e-01 -6.870681125e-01 -4.309860813e+00 -4.309860813e+00 2.00 -9.234254855e-01 -9.234254861e-01 -2.003256149e+00 -2.003272760e+00 -8.067485425e-01 -8.067484152e-01 -3.349755863e+00 -3.349755863e+00 2.02 -9.722548251e-01 -9.722548251e-01 -1.851546321e+00 -1.851546321e+00 -9.372128537e-01 -9.372128537e-01 -2.696010539e+00 -2.696010539e+00 2.04 -1.082916475e+00 -1.082916475e+00 -1.825080411e+00 -1.825080411e+00 -1.071688579e+00 -1.071688579e+00 -2.267345735e+00 -2.267345735e+00 2.06 -1.245680734e+00 -1.245680734e+00 -1.900298621e+00 -1.900298621e+00 -1.210406830e+00 -1.210406830e+00 -2.029133773e+00 -2.029133773e+00 2.08 -1.451720208e+00 -1.451720208e+00 -2.040211265e+00 -2.040211265e+00 -1.349880083e+00 -1.349880083e+00 -1.944096851e+00 -1.944096851e+00 2.10 -1.685951004e+00 -1.685951004e+00 -2.214284903e+00 -2.214284903e+00 -1.486342649e+00 -1.486342649e+00 -1.958528879e+00 -1.958528879e+00 2.12 -1.928128016e+00 -1.928128016e+00 -2.400180109e+00 -2.400180109e+00 -1.615812615e+00 -1.615812615e+00 -2.043953000e+00 -2.043953000e+00 2.14 -2.164945499e+00 -2.164945499e+00 -2.602695361e+00 -2.602695361e+00 -1.756783750e+00 -1.756783750e+00 -2.174478613e+00 -2.174478613e+00 2.16 -2.368260998e+00 -2.368260998e+00 -2.780756092e+00 -2.780756092e+00 -1.880324987e+00 -1.880324987e+00 -2.332781360e+00 -2.332781360e+00 2.18 -2.544117503e+00 -2.544117503e+00 -2.935159141e+00 -2.935159141e+00 -1.996249060e+00 -1.996249060e+00 -2.504395924e+00 -2.504395924e+00 2.20 -2.695202195e+00 -2.695202195e+00 -3.063478878e+00 -3.063478878e+00 -2.105563926e+00 -2.105563926e+00 -2.689296783e+00 -2.689296783e+00 2.22 -2.823782129e+00 -2.823782129e+00 -3.170528526e+00 -3.170528526e+00 -2.210066549e+00 -2.210066549e+00 -2.861565516e+00 -2.861565516e+00 2.24 -2.932802726e+00 -2.932802726e+00 -3.263550111e+00 -3.263550111e+00 -2.311481274e+00 -2.311481274e+00 -3.026115714e+00 -3.026115714e+00 2.26 -3.025377607e+00 -3.025377607e+00 -3.348379330e+00 -3.348379330e+00 -2.403353376e+00 -2.403353376e+00 -3.169845201e+00 -3.169845201e+00 2.28 -3.104478293e+00 -3.104478293e+00 -3.431034112e+00 -3.431034112e+00 -2.474212214e+00 -2.474212214e+00 -3.295761377e+00 -3.295761377e+00 2.30 -3.172481342e+00 -3.172481342e+00 -3.514234002e+00 -3.514234002e+00 -2.513960247e+00 -2.513960247e+00 -3.416757620e+00 -3.416757620e+00 2.32 -3.231452858e+00 -3.231452858e+00 -3.593694904e+00 -3.593694904e+00 -2.515401858e+00 -2.515401858e+00 -3.518910675e+00 -3.518910675e+00 2.34 -3.282584588e+00 -3.282584588e+00 -3.682471545e+00 -3.682471545e+00 -2.475142814e+00 -2.475142814e+00 -3.607508227e+00 -3.607508227e+00 2.36 -3.325703458e+00 -3.325703458e+00 -3.747473781e+00 -3.747473781e+00 -2.393954192e+00 -2.393954192e+00 -3.682340452e+00 -3.682340452e+00 2.38 -3.359189159e+00 -3.359189159e+00 -3.793988421e+00 -3.793988421e+00 -2.275450238e+00 -2.275450238e+00 -3.744101289e+00 -3.744101289e+00 2.40 -3.380372233e+00 -3.380372233e+00 -3.833974998e+00 -3.833974998e+00 -2.162488676e+00 -2.162488676e+00 -3.794217727e+00 -3.794217727e+00 2.42 -3.386362210e+00 -3.386362210e+00 -3.849942014e+00 -3.849942014e+00 -2.018860695e+00 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