# 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--ipr2 # composition = CuFe2Ni # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 -5.778111889e+02 -5.778111889e+02 1.04 -5.439886306e+02 -5.439886306e+02 1.06 -5.127883857e+02 -5.127883857e+02 1.08 -4.838843614e+02 -4.838843614e+02 1.10 -4.567600226e+02 -4.567600226e+02 1.12 -4.310947782e+02 -4.310947782e+02 1.14 -4.068880948e+02 -4.068880948e+02 1.16 -3.841284898e+02 -3.841284898e+02 1.18 -3.626906589e+02 -3.626906589e+02 1.20 -3.424371723e+02 -3.424371723e+02 1.22 -3.232670232e+02 -3.232670232e+02 1.24 -3.051997426e+02 -3.051997426e+02 1.26 -2.883825028e+02 -2.883825028e+02 1.28 -2.729499900e+02 -2.729499900e+02 1.30 -2.587421127e+02 -2.587421127e+02 1.32 -2.454572497e+02 -2.454572497e+02 1.34 -2.328144344e+02 -2.328144344e+02 1.36 -2.206400458e+02 -2.206400458e+02 1.38 -2.088505617e+02 -2.088505617e+02 1.40 -1.973950932e+02 -1.973950932e+02 1.42 -1.861978820e+02 -1.861978820e+02 1.44 -1.751922998e+02 -1.751922998e+02 1.46 -1.643126708e+02 -1.643126708e+02 1.48 -1.535214706e+02 -1.535214706e+02 1.50 -1.428640755e+02 -1.428640755e+02 1.52 -1.324143463e+02 -1.324143463e+02 1.54 -1.222328063e+02 -1.222328063e+02 1.56 -1.123658123e+02 -1.123658123e+02 1.58 -1.028635334e+02 -1.028635334e+02 1.60 -9.375346545e+01 -9.375346545e+01 1.62 -8.504207418e+01 -8.504207418e+01 1.64 -7.676281654e+01 -7.676281654e+01 1.66 -6.898370392e+01 -6.898370392e+01 1.68 -6.174662519e+01 -6.174662519e+01 1.70 -5.502289581e+01 -5.502289581e+01 1.72 -4.876024189e+01 -4.876024189e+01 1.74 -4.291544155e+01 -4.291544155e+01 1.76 -3.746070215e+01 -3.746070215e+01 1.78 -3.235924749e+01 -3.235924749e+01 1.80 -2.756588676e+01 -2.756588676e+01 1.82 -2.303868169e+01 -2.303868169e+01 1.84 -1.875235352e+01 -1.875235352e+01 1.86 -1.470734807e+01 -1.470734807e+01 1.88 -1.119446891e+01 -1.119446891e+01 1.90 -8.388151110e+00 -8.388151110e+00 1.92 -6.283972787e+00 -6.283972787e+00 1.94 -4.758367315e+00 -4.758367315e+00 1.96 -3.680146463e+00 -3.680146463e+00 1.98 -2.947979352e+00 -2.947979352e+00 2.00 -2.483944706e+00 -2.483944706e+00 2.02 -2.226010920e+00 -2.226010920e+00 2.04 -2.125705394e+00 -2.125705394e+00 2.06 -2.143407437e+00 -2.143407437e+00 2.08 -2.244396918e+00 -2.244396918e+00 2.10 -2.398430280e+00 -2.398430280e+00 2.12 -2.580683036e+00 -2.580683036e+00 2.14 -2.772421658e+00 -2.772421658e+00 2.16 -2.959844087e+00 -2.959844087e+00 2.18 -3.132838783e+00 -3.132838783e+00 2.20 -3.285417856e+00 -3.285417856e+00 2.22 -3.417170694e+00 -3.417170694e+00 2.24 -3.532262569e+00 -3.532262569e+00 2.26 -3.635455265e+00 -3.635455265e+00 2.28 -3.730233313e+00 -3.730233313e+00 2.30 -3.816376250e+00 -3.816376250e+00 2.32 -3.892727064e+00 -3.892727064e+00 2.34 -3.958159137e+00 -3.958159137e+00 2.36 -4.011091991e+00 -4.011091991e+00 2.38 -4.050627333e+00 -4.050627333e+00 2.40 -4.076990099e+00 -4.076990099e+00 2.42 -4.091121010e+00 -4.091121010e+00 2.44 -4.094198784e+00 -4.094198784e+00 2.46 -4.087957755e+00 -4.087957755e+00 2.48 -4.073920397e+00 -4.073920397e+00 2.50 -4.053360538e+00 -4.053360538e+00 2.52 -4.027120058e+00 -4.027120058e+00 2.54 -3.995918080e+00 -3.995918080e+00 2.56 -3.960555990e+00 -3.960555990e+00 2.58 -3.921767236e+00 -3.921767236e+00 2.60 -3.880449381e+00 -3.880449381e+00 2.62 -3.837658847e+00 -3.837658847e+00 2.64 -3.794369731e+00 -3.794369731e+00 2.66 -3.751359768e+00 -3.751359768e+00 2.68 -3.708958564e+00 -3.708958564e+00 2.70 -3.667101405e+00 -3.667101405e+00 2.72 -3.625441506e+00 -3.625441506e+00 2.74 -3.583412234e+00 -3.583412234e+00 2.76 -3.540346750e+00 -3.540346750e+00 2.78 -3.495676303e+00 -3.495676303e+00 2.80 -3.448918791e+00 -3.448918791e+00 2.82 -3.399831416e+00 -3.399831416e+00 2.84 -3.348560303e+00 -3.348560303e+00 2.86 -3.295737576e+00 -3.295737576e+00 2.88 -3.242181642e+00 -3.242181642e+00 2.90 -3.189329214e+00 -3.189329214e+00 2.92 -3.138744401e+00 -3.138744401e+00 2.94 -3.091886461e+00 -3.091886461e+00 2.96 -3.049973135e+00 -3.049973135e+00 2.98 -3.013856383e+00 -3.013856383e+00 3.00 -2.982779933e+00 -2.982779933e+00 3.02 -2.948800945e+00 -2.948800945e+00 3.04 -2.902050615e+00 -2.902050615e+00 3.06 -2.833129225e+00 -2.833129225e+00 3.08 -2.733065601e+00 -2.733065601e+00 3.10 -2.593398917e+00 -2.593398917e+00 3.12 -2.406523124e+00 -2.406523124e+00 3.14 -2.165948883e+00 -2.165948883e+00 3.16 -1.866644637e+00 -1.866644637e+00 3.18 -1.507078353e+00 -1.507078353e+00 3.20 -1.103555944e+00 -1.103555944e+00 3.22 -6.810049524e-01 -6.810049524e-01 3.24 -2.622134689e-01 -2.622134689e-01 3.26 1.331182701e-01 1.331182701e-01 3.28 4.894674640e-01 4.894674640e-01 3.30 7.966903470e-01 7.966903470e-01 3.32 1.050791323e+00 1.050791323e+00 3.34 1.253702241e+00 1.253702241e+00 3.36 1.411878354e+00 1.411878354e+00 3.38 1.534094102e+00 1.534094102e+00 3.40 1.629299197e+00 1.629299197e+00 3.42 1.705189291e+00 1.705189291e+00 3.44 1.767564456e+00 1.767564456e+00 3.46 1.820426557e+00 1.820426557e+00 3.48 1.866429629e+00 1.866429629e+00 3.50 1.907379502e+00 1.907379502e+00 3.52 1.944625503e+00 1.944625503e+00 3.54 1.979299516e+00 1.979299516e+00 3.56 2.012412800e+00 2.012412800e+00 3.58 2.044755262e+00 2.044755262e+00 3.60 2.076770243e+00 2.076770243e+00 3.62 2.108691778e+00 2.108691778e+00 3.64 2.140592006e+00 2.140592006e+00 3.66 2.172409867e+00 2.172409867e+00 3.68 2.203989535e+00 2.203989535e+00 3.70 2.235111848e+00 2.235111848e+00 3.72 2.265519071e+00 2.265519071e+00 3.74 2.294935552e+00 2.294935552e+00 3.76 2.323083637e+00 2.323083637e+00 3.78 2.349694631e+00 2.349694631e+00 3.80 2.374514844e+00 2.374514844e+00 3.82 2.397307045e+00 2.397307045e+00 3.84 2.417846545e+00 2.417846545e+00 3.86 2.435930782e+00 2.435930782e+00 3.88 2.451505416e+00 2.451505416e+00 3.90 2.464580712e+00 2.464580712e+00 3.92 2.475148913e+00 2.475148913e+00 3.94 2.483207887e+00 2.483207887e+00 3.96 2.489492538e+00 2.489492538e+00 3.98 2.495570088e+00 2.495570088e+00 4.00 2.502349278e+00 2.502349278e+00 4.02 2.510083450e+00 2.510083450e+00 4.04 2.518510684e+00 2.518510684e+00 4.06 2.526980074e+00 2.526980074e+00 4.08 2.534562160e+00 2.534562160e+00 4.10 2.540147061e+00 2.540147061e+00 4.12 2.542528802e+00 2.542528802e+00 4.14 2.540469324e+00 2.540469324e+00 4.16 2.532755221e+00 2.532755221e+00 4.18 2.518261232e+00 2.518261232e+00 4.20 2.495992641e+00 2.495992641e+00 4.22 2.465113967e+00 2.465113967e+00 4.24 2.424973938e+00 2.424973938e+00 4.26 2.375119729e+00 2.375119729e+00 4.28 2.315300925e+00 2.315300925e+00 4.30 2.245466506e+00 2.245466506e+00 4.32 2.165748953e+00 2.165748953e+00 4.34 2.076441743e+00 2.076441743e+00 4.36 1.977963149e+00 1.977963149e+00 4.38 1.870810234e+00 1.870810234e+00 4.40 1.755500700e+00 1.755500700e+00 4.42 1.632502606e+00 1.632502606e+00 4.44 1.502156067e+00 1.502156067e+00 4.46 1.364589901e+00 1.364589901e+00 4.48 1.219643535e+00 1.219643535e+00 4.50 1.066807386e+00 1.066807386e+00 4.52 9.052201302e-01 9.052201302e-01 4.54 7.338404226e-01 7.338404226e-01 4.56 5.523414170e-01 5.523414170e-01 4.58 3.619202746e-01 3.619202746e-01 4.60 1.644329717e-01 1.644329717e-01 4.62 -3.744781535e-02 -3.744781535e-02 4.64 -2.094535977e-01 -2.094535977e-01 4.66 -2.726930276e-01 -2.726930276e-01 4.68 -1.711057386e-01 -1.711057386e-01 4.70 1.186920990e-01 1.186920990e-01 4.72 5.892982886e-01 5.892982886e-01 4.74 1.209374142e+00 1.209374142e+00 4.76 1.933514360e+00 1.933514360e+00 4.78 2.712487294e+00 2.712487294e+00 4.80 3.501448596e+00 3.501448596e+00 4.82 4.264796206e+00 4.264796206e+00 4.84 4.977577568e+00 4.977577568e+00 4.86 5.624246662e+00 5.624246662e+00 4.88 6.196118996e+00 6.196118996e+00 4.90 6.688442827e+00 6.688442827e+00 4.92 7.097952520e+00 7.097952520e+00 4.94 7.421179176e+00 7.421179176e+00 4.96 7.653628301e+00 7.653628301e+00 4.98 7.789705454e+00 7.789705454e+00 5.00 7.823306595e+00 7.823306595e+00 5.02 7.748825499e+00 7.748825499e+00 5.04 7.562651256e+00 7.562651256e+00 5.06 7.266027581e+00 7.266027581e+00 5.08 6.864949779e+00 6.864949779e+00 5.10 6.369264179e+00 6.369264179e+00 5.12 5.792642801e+00 5.792642801e+00 5.14 5.152343393e+00 5.152343393e+00 5.16 4.468740608e+00 4.468740608e+00 5.18 3.764589049e+00 3.764589049e+00 5.20 3.063956647e+00 3.063956647e+00 5.22 2.391171623e+00 2.391171623e+00 5.24 1.770036439e+00 1.770036439e+00 5.26 1.220523626e+00 1.220523626e+00 5.28 7.567563656e-01 7.567563656e-01 5.30 3.860871512e-01 3.860871512e-01 5.32 1.088188772e-01 1.088188772e-01 5.34 -8.127566106e-02 -8.127566106e-02 5.36 -1.956846203e-01 -1.956846203e-01 5.38 -2.492916339e-01 -2.492916339e-01 5.40 -2.582518662e-01 -2.582518662e-01 5.42 -2.379925465e-01 -2.379925465e-01 5.44 -2.016936711e-01 -2.016936711e-01 5.46 -1.594505020e-01 -1.594505020e-01 5.48 -1.181277508e-01 -1.181277508e-01 5.50 -8.173850588e-02 -8.173850588e-02 5.52 -5.210511614e-02 -5.210511614e-02 5.54 -2.956201416e-02 -2.956201416e-02 5.56 -1.355151246e-02 -1.355151246e-02 5.58 -3.073041349e-03 -3.073041349e-03 5.60 3.029728245e-03 3.029728245e-03 5.62 5.898335378e-03 5.898335378e-03 5.64 6.563689712e-03 6.563689712e-03 5.66 5.894686827e-03 5.894686827e-03 5.68 4.576779699e-03 4.576779699e-03 5.70 3.108883780e-03 3.108883780e-03 5.72 1.814480853e-03 1.814480853e-03 5.74 8.625287630e-04 8.625287630e-04 5.76 2.936394274e-04 2.936394274e-04 5.78 4.841035030e-05 4.841035030e-05 5.80 1.731217335e-07 1.731217335e-07 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00