# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Au2FeMg # 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 2024-04-11 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 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.490761456e+02 3.490761456e+02 1.30 3.223810831e+02 3.223810831e+02 1.32 2.977374659e+02 2.977374659e+02 1.34 2.749788221e+02 2.749788221e+02 1.36 2.539531427e+02 2.539531427e+02 1.38 2.345213849e+02 2.345213849e+02 1.40 2.165562358e+02 2.165562358e+02 1.42 1.999409550e+02 1.999409550e+02 1.44 1.845684370e+02 1.845684370e+02 1.46 1.703403785e+02 1.703403785e+02 1.48 1.571665277e+02 1.571665277e+02 1.50 1.449642401e+02 1.449642401e+02 1.52 1.336581778e+02 1.336581778e+02 1.54 1.231796576e+02 1.231796576e+02 1.56 1.134656182e+02 1.134656182e+02 1.58 1.044576323e+02 1.044576323e+02 1.60 9.610132914e+01 9.610132914e+01 1.62 8.834620468e+01 8.834620468e+01 1.64 8.114562117e+01 8.114562117e+01 1.66 7.445684978e+01 7.445684978e+01 1.68 6.824682207e+01 6.824682207e+01 1.70 6.250510847e+01 6.250510847e+01 1.72 5.720028921e+01 5.720028921e+01 1.74 5.230093419e+01 5.230093419e+01 1.76 4.777832792e+01 4.777832792e+01 1.78 4.360557891e+01 4.360557891e+01 1.80 3.975716955e+01 3.975716955e+01 1.82 3.620881409e+01 3.620881409e+01 1.84 3.293755727e+01 3.293755727e+01 1.86 2.992196562e+01 2.992196562e+01 1.88 2.714225870e+01 2.714225870e+01 1.90 2.458030365e+01 2.458030365e+01 1.92 2.221947537e+01 2.221947537e+01 1.94 2.004442854e+01 2.004442854e+01 1.96 1.804086341e+01 1.804086341e+01 1.98 1.619535936e+01 1.619535936e+01 2.00 1.449532716e+01 1.449532716e+01 2.02 1.292906349e+01 1.292906349e+01 2.04 1.148583731e+01 1.148583731e+01 2.06 1.015593207e+01 1.015593207e+01 2.08 8.930609420e+00 8.930609420e+00 2.10 7.802010229e+00 7.802010229e+00 2.12 6.763025349e+00 6.763025349e+00 2.14 5.807169878e+00 5.807169878e+00 2.16 4.928476708e+00 4.928476708e+00 2.18 4.121414984e+00 4.121414984e+00 2.20 3.380834112e+00 3.380834112e+00 2.22 2.701926883e+00 2.701926883e+00 2.24 2.080208183e+00 2.080208183e+00 2.26 1.511502572e+00 1.511502572e+00 2.28 9.919340633e-01 9.919340633e-01 2.30 5.179159707e-01 5.179159707e-01 2.32 8.613497844e-02 8.613497844e-02 2.34 -3.064675262e-01 -3.064675262e-01 2.36 -6.627167189e-01 -6.627167189e-01 2.38 -9.852263573e-01 -9.852263573e-01 2.40 -1.276420577e+00 -1.276420577e+00 2.42 -1.538555495e+00 -1.538555495e+00 2.44 -1.773739337e+00 -1.773739337e+00 2.46 -1.983952393e+00 -1.983952393e+00 2.48 -2.171065157e+00 -2.171065157e+00 2.50 -2.336854548e+00 -2.336854548e+00 2.52 -2.483017267e+00 -2.483017267e+00 2.54 -2.611179118e+00 -2.611179118e+00 2.56 -2.722898932e+00 -2.722898932e+00 2.58 -2.819742452e+00 -2.819742452e+00 2.60 -2.903212427e+00 -2.903212427e+00 2.62 -2.974422967e+00 -2.974422967e+00 2.64 -3.034415360e+00 -3.034415360e+00 2.66 -3.084147672e+00 -3.084147672e+00 2.68 -3.124479612e+00 -3.124479612e+00 2.70 -3.156158326e+00 -3.156158326e+00 2.72 -3.179834437e+00 -3.179834437e+00 2.74 -3.196067584e+00 -3.196067584e+00 2.76 -3.205344948e+00 -3.205344948e+00 2.78 -3.208112420e+00 -3.208112420e+00 2.80 -3.204788222e+00 -3.204788222e+00 2.82 -3.195768604e+00 -3.195768604e+00 2.84 -3.181371615e+00 -3.181371615e+00 2.86 -3.161846243e+00 -3.161846243e+00 2.88 -3.137456917e+00 -3.137456917e+00 2.90 -3.108484292e+00 -3.108484292e+00 2.92 -3.075221769e+00 -3.075221769e+00 2.94 -3.037973184e+00 -3.037973184e+00 2.96 -2.997051647e+00 -2.997051647e+00 2.98 -2.952779159e+00 -2.952779159e+00 3.00 -2.905486284e+00 -2.905486284e+00 3.02 -2.855510918e+00 -2.855510918e+00 3.04 -2.803195101e+00 -2.803195101e+00 3.06 -2.748880340e+00 -2.748880340e+00 3.08 -2.692899444e+00 -2.692899444e+00 3.10 -2.635569458e+00 -2.635569458e+00 3.12 -2.577184699e+00 -2.577184699e+00 3.14 -2.518014316e+00 -2.518014316e+00 3.16 -2.458317943e+00 -2.458317943e+00 3.18 -2.398307232e+00 -2.398307232e+00 3.20 -2.338166941e+00 -2.338166941e+00 3.22 -2.278076076e+00 -2.278076076e+00 3.24 -2.218212326e+00 -2.218212326e+00 3.26 -2.158754422e+00 -2.158754422e+00 3.28 -2.099881796e+00 -2.099881796e+00 3.30 -2.041771523e+00 -2.041771523e+00 3.32 -1.984587511e+00 -1.984587511e+00 3.34 -1.928458100e+00 -1.928458100e+00 3.36 -1.873491939e+00 -1.873491939e+00 3.38 -1.819779673e+00 -1.819779673e+00 3.40 -1.767389882e+00 -1.767389882e+00 3.42 -1.716367667e+00 -1.716367667e+00 3.44 -1.666735038e+00 -1.666735038e+00 3.46 -1.618493398e+00 -1.618493398e+00 3.48 -1.571626883e+00 -1.571626883e+00 3.50 -1.526106187e+00 -1.526106187e+00 3.52 -1.481892380e+00 -1.481892380e+00 3.54 -1.438940348e+00 -1.438940348e+00 3.56 -1.397201701e+00 -1.397201701e+00 3.58 -1.356627060e+00 -1.356627060e+00 3.60 -1.317167744e+00 -1.317167744e+00 3.62 -1.278776924e+00 -1.278776924e+00 3.64 -1.241410342e+00 -1.241410342e+00 3.66 -1.205026676e+00 -1.205026676e+00 3.68 -1.169587669e+00 -1.169587669e+00 3.70 -1.135058083e+00 -1.135058083e+00 3.72 -1.101405567e+00 -1.101405567e+00 3.74 -1.068600464e+00 -1.068600464e+00 3.76 -1.036615617e+00 -1.036615617e+00 3.78 -1.005426159e+00 -1.005426159e+00 3.80 -9.750093098e-01 -9.750093098e-01 3.82 -9.453441604e-01 -9.453441604e-01 3.84 -9.164114153e-01 -9.164114153e-01 3.86 -8.881930937e-01 -8.881930937e-01 3.88 -8.606721786e-01 -8.606721786e-01 3.90 -8.338322321e-01 -8.338322321e-01 3.92 -8.076568991e-01 -8.076568991e-01 3.94 -7.821300381e-01 -7.821300381e-01 3.96 -7.572347310e-01 -7.572347310e-01 3.98 -7.329536841e-01 -7.329536841e-01 4.00 -7.092690962e-01 -7.092690962e-01 4.02 -6.861627969e-01 -6.861627969e-01 4.04 -6.636164936e-01 -6.636164936e-01 4.06 -6.416121062e-01 -6.416121062e-01 4.08 -6.201321677e-01 -6.201321677e-01 4.10 -5.991599835e-01 -5.991599835e-01 4.12 -5.786813405e-01 -5.786813405e-01 4.14 -5.586830720e-01 -5.586830720e-01 4.16 -5.391549196e-01 -5.391549196e-01 4.18 -5.200896140e-01 -5.200896140e-01 4.20 -5.014832262e-01 -5.014832262e-01 4.22 -4.833353629e-01 -4.833353629e-01 4.24 -4.656491437e-01 -4.656491437e-01 4.26 -4.484309080e-01 -4.484309080e-01 4.28 -4.316896173e-01 -4.316896173e-01 4.30 -4.154359592e-01 -4.154359592e-01 4.32 -3.996811996e-01 -3.996811996e-01 4.34 -3.844358777e-01 -3.844358777e-01 4.36 -3.697084691e-01 -3.697084691e-01 4.38 -3.555041627e-01 -3.555041627e-01 4.40 -3.418238812e-01 -3.418238812e-01 4.42 -3.286636452e-01 -3.286636452e-01 4.44 -3.160143257e-01 -3.160143257e-01 4.46 -3.038617794e-01 -3.038617794e-01 4.48 -2.921873083e-01 -2.921873083e-01 4.50 -2.809683572e-01 -2.809683572e-01 4.52 -2.701793482e-01 -2.701793482e-01 4.54 -2.597925596e-01 -2.597925596e-01 4.56 -2.497789732e-01 -2.497789732e-01 4.58 -2.401090386e-01 -2.401090386e-01 4.60 -2.307533310e-01 -2.307533310e-01 4.62 -2.216830954e-01 -2.216830954e-01 4.64 -2.128706912e-01 -2.128706912e-01 4.66 -2.042899563e-01 -2.042899563e-01 4.68 -1.959165160e-01 -1.959165160e-01 4.70 -1.877280621e-01 -1.877280621e-01 4.72 -1.797046209e-01 -1.797046209e-01 4.74 -1.718288271e-01 -1.718288271e-01 4.76 -1.640862085e-01 -1.640862085e-01 4.78 -1.564654806e-01 -1.564654806e-01 4.80 -1.489586451e-01 -1.489586451e-01 4.82 -1.415620654e-01 -1.415620654e-01 4.84 -1.342754140e-01 -1.342754140e-01 4.86 -1.271026845e-01 -1.271026845e-01 4.88 -1.200519511e-01 -1.200519511e-01 4.90 -1.131351941e-01 -1.131351941e-01 4.92 -1.063679264e-01 -1.063679264e-01 4.94 -9.976860743e-02 -9.976860743e-02 4.96 -9.335784794e-02 -9.335784794e-02 4.98 -8.715743793e-02 -8.715743793e-02 5.00 -8.118925192e-02 -8.118925192e-02 5.02 -7.547410785e-02 -7.547410785e-02 5.04 -7.003066741e-02 -7.003066741e-02 5.06 -6.487446618e-02 -6.487446618e-02 5.08 -6.001715054e-02 -6.001715054e-02 5.10 -5.546598007e-02 -5.546598007e-02 5.12 -5.122360199e-02 -5.122360199e-02 5.14 -4.728811431e-02 -4.728811431e-02 5.16 -4.365338862e-02 -4.365338862e-02 5.18 -4.030957559e-02 -4.030957559e-02 5.20 -3.724368234e-02 -3.724368234e-02 5.22 -3.443960450e-02 -3.443960450e-02 5.24 -3.188074067e-02 -3.188074067e-02 5.26 -2.954965910e-02 -2.954965910e-02 5.28 -2.742819956e-02 -2.742819956e-02 5.30 -2.549820377e-02 -2.549820377e-02 5.32 -2.374227398e-02 -2.374227398e-02 5.34 -2.214379031e-02 -2.214379031e-02 5.36 -2.068714249e-02 -2.068714249e-02 5.38 -1.935794432e-02 -1.935794432e-02 5.40 -1.814311854e-02 -1.814311854e-02 5.42 -1.703089077e-02 -1.703089077e-02 5.44 -1.601075304e-02 -1.601075304e-02 5.46 -1.507338923e-02 -1.507338923e-02 5.48 -1.421057464e-02 -1.421057464e-02 5.50 -1.341506061e-02 -1.341506061e-02 5.52 -1.268045330e-02 -1.268045330e-02 5.54 -1.200109460e-02 -1.200109460e-02 5.56 -1.137195090e-02 -1.137195090e-02 5.58 -1.078851427e-02 -1.078851427e-02 5.60 -1.024671832e-02 -1.024671832e-02 5.62 -9.742869476e-03 -9.742869476e-03 5.64 -9.273593044e-03 -9.273593044e-03 5.66 -8.835792124e-03 -8.835792124e-03 5.68 -8.426617154e-03 -8.426617154e-03 5.70 -8.043443380e-03 -8.043443380e-03 5.72 -7.683853879e-03 -7.683853879e-03 5.74 -7.345626038e-03 -7.345626038e-03 5.76 -7.026719937e-03 -7.026719937e-03 5.78 -6.725267559e-03 -6.725267559e-03 5.80 -6.439562193e-03 -6.439562193e-03 5.82 -6.168047775e-03 -6.168047775e-03 5.84 -5.909308152e-03 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