# 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 = MoPbTi2 # 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 3.553406872e+02 3.553406872e+02 1.30 3.306953424e+02 3.306953424e+02 1.32 3.078174810e+02 3.078174810e+02 1.34 2.865773856e+02 2.865773856e+02 1.36 2.668540420e+02 2.668540420e+02 1.38 2.485324588e+02 2.485324588e+02 1.40 2.315034507e+02 2.315034507e+02 1.42 2.156648229e+02 2.156648229e+02 1.44 2.009224666e+02 2.009224666e+02 1.46 1.871905978e+02 1.871905978e+02 1.48 1.743913290e+02 1.743913290e+02 1.50 1.624541007e+02 1.624541007e+02 1.52 1.513151735e+02 1.513151735e+02 1.54 1.409170634e+02 1.409170634e+02 1.56 1.312077983e+02 1.312077983e+02 1.58 1.221400173e+02 1.221400173e+02 1.60 1.136701080e+02 1.136701080e+02 1.62 1.057576547e+02 1.057576547e+02 1.64 9.836519424e+01 9.836519424e+01 1.66 9.145809125e+01 9.145809125e+01 1.68 8.500435469e+01 8.500435469e+01 1.70 7.897440372e+01 7.897440372e+01 1.72 7.334075174e+01 7.334075174e+01 1.74 6.807758726e+01 6.807758726e+01 1.76 6.316032870e+01 6.316032870e+01 1.78 5.856535018e+01 5.856535018e+01 1.80 5.427000328e+01 5.427000328e+01 1.82 5.025288508e+01 5.025288508e+01 1.84 4.649517891e+01 4.649517891e+01 1.86 4.298278838e+01 4.298278838e+01 1.88 3.970355909e+01 3.970355909e+01 1.90 3.664204741e+01 3.664204741e+01 1.92 3.378404501e+01 3.378404501e+01 1.94 3.111647480e+01 3.111647480e+01 1.96 2.862715429e+01 2.862715429e+01 1.98 2.630462096e+01 2.630462096e+01 2.00 2.413801242e+01 2.413801242e+01 2.02 2.211699425e+01 2.211699425e+01 2.04 2.023172318e+01 2.023172318e+01 2.06 1.847284698e+01 1.847284698e+01 2.08 1.683153948e+01 1.683153948e+01 2.10 1.529955757e+01 1.529955757e+01 2.12 1.386928762e+01 1.386928762e+01 2.14 1.253375671e+01 1.253375671e+01 2.16 1.128660748e+01 1.128660748e+01 2.18 1.012204615e+01 1.012204615e+01 2.20 9.034772273e+00 9.034772273e+00 2.22 8.019905820e+00 8.019905820e+00 2.24 7.072918785e+00 7.072918785e+00 2.26 6.189583753e+00 6.189583753e+00 2.28 5.365938688e+00 5.365938688e+00 2.30 4.598271597e+00 4.598271597e+00 2.32 3.883097788e+00 3.883097788e+00 2.34 3.217145434e+00 3.217145434e+00 2.36 2.597333013e+00 2.597333013e+00 2.38 2.020755570e+00 2.020755570e+00 2.40 1.484676150e+00 1.484676150e+00 2.42 9.865216885e-01 9.865216885e-01 2.44 5.238792940e-01 5.238792940e-01 2.46 9.449260738e-02 9.449260738e-02 2.48 -3.037437610e-01 -3.037437610e-01 2.50 -6.727906962e-01 -6.727906962e-01 2.52 -1.014471107e+00 -1.014471107e+00 2.54 -1.330475937e+00 -1.330475937e+00 2.56 -1.622370166e+00 -1.622370166e+00 2.58 -1.891600222e+00 -1.891600222e+00 2.60 -2.139504110e+00 -2.139504110e+00 2.62 -2.367323835e+00 -2.367323835e+00 2.64 -2.576207954e+00 -2.576207954e+00 2.66 -2.767143888e+00 -2.767143888e+00 2.68 -2.941234834e+00 -2.941234834e+00 2.70 -3.099565118e+00 -3.099565118e+00 2.72 -3.243159468e+00 -3.243159468e+00 2.74 -3.372989179e+00 -3.372989179e+00 2.76 -3.490055012e+00 -3.490055012e+00 2.78 -3.595168691e+00 -3.595168691e+00 2.80 -3.689032475e+00 -3.689032475e+00 2.82 -3.772299832e+00 -3.772299832e+00 2.84 -3.845480836e+00 -3.845480836e+00 2.86 -3.908968334e+00 -3.908968334e+00 2.88 -3.963139888e+00 -3.963139888e+00 2.90 -4.008361942e+00 -4.008361942e+00 2.92 -4.044978018e+00 -4.044978018e+00 2.94 -4.073192119e+00 -4.073192119e+00 2.96 -4.093163467e+00 -4.093163467e+00 2.98 -4.105102497e+00 -4.105102497e+00 3.00 -4.109273812e+00 -4.109273812e+00 3.02 -4.105995409e+00 -4.105995409e+00 3.04 -4.095632097e+00 -4.095632097e+00 3.06 -4.078586462e+00 -4.078586462e+00 3.08 -4.055277566e+00 -4.055277566e+00 3.10 -4.026126331e+00 -4.026126331e+00 3.12 -3.991538821e+00 -3.991538821e+00 3.14 -3.951898806e+00 -3.951898806e+00 3.16 -3.907560075e+00 -3.907560075e+00 3.18 -3.858850063e+00 -3.858850063e+00 3.20 -3.806072794e+00 -3.806072794e+00 3.22 -3.749513575e+00 -3.749513575e+00 3.24 -3.689443786e+00 -3.689443786e+00 3.26 -3.626125588e+00 -3.626125588e+00 3.28 -3.559841309e+00 -3.559841309e+00 3.30 -3.490854710e+00 -3.490854710e+00 3.32 -3.419394118e+00 -3.419394118e+00 3.34 -3.345710913e+00 -3.345710913e+00 3.36 -3.270081368e+00 -3.270081368e+00 3.38 -3.192807630e+00 -3.192807630e+00 3.40 -3.114217148e+00 -3.114217148e+00 3.42 -3.034660916e+00 -3.034660916e+00 3.44 -2.954507643e+00 -2.954507643e+00 3.46 -2.874132942e+00 -2.874132942e+00 3.48 -2.793913004e+00 -2.793913004e+00 3.50 -2.714221025e+00 -2.714221025e+00 3.52 -2.635416938e+00 -2.635416938e+00 3.54 -2.557836849e+00 -2.557836849e+00 3.56 -2.481782780e+00 -2.481782780e+00 3.58 -2.407513452e+00 -2.407513452e+00 3.60 -2.335237036e+00 -2.335237036e+00 3.62 -2.265106856e+00 -2.265106856e+00 3.64 -2.197220765e+00 -2.197220765e+00 3.66 -2.131624346e+00 -2.131624346e+00 3.68 -2.068317372e+00 -2.068317372e+00 3.70 -2.007262434e+00 -2.007262434e+00 3.72 -1.948394397e+00 -1.948394397e+00 3.74 -1.891629461e+00 -1.891629461e+00 3.76 -1.836872992e+00 -1.836872992e+00 3.78 -1.784025680e+00 -1.784025680e+00 3.80 -1.732988012e+00 -1.732988012e+00 3.82 -1.683663249e+00 -1.683663249e+00 3.84 -1.635959253e+00 -1.635959253e+00 3.86 -1.589789478e+00 -1.589789478e+00 3.88 -1.545073420e+00 -1.545073420e+00 3.90 -1.501736719e+00 -1.501736719e+00 3.92 -1.459710561e+00 -1.459710561e+00 3.94 -1.418933417e+00 -1.418933417e+00 3.96 -1.379347545e+00 -1.379347545e+00 3.98 -1.340900783e+00 -1.340900783e+00 4.00 -1.303545505e+00 -1.303545505e+00 4.02 -1.267238135e+00 -1.267238135e+00 4.04 -1.231938671e+00 -1.231938671e+00 4.06 -1.197610212e+00 -1.197610212e+00 4.08 -1.164218518e+00 -1.164218518e+00 4.10 -1.131730292e+00 -1.131730292e+00 4.12 -1.100118335e+00 -1.100118335e+00 4.14 -1.069352561e+00 -1.069352561e+00 4.16 -1.039405837e+00 -1.039405837e+00 4.18 -1.010252168e+00 -1.010252168e+00 4.20 -9.818665490e-01 -9.818665490e-01 4.22 -9.542248585e-01 -9.542248585e-01 4.24 -9.273038060e-01 -9.273038060e-01 4.26 -9.010809112e-01 -9.010809112e-01 4.28 -8.755345160e-01 -8.755345160e-01 4.30 -8.506438179e-01 -8.506438179e-01 4.32 -8.263889150e-01 -8.263889150e-01 4.34 -8.027508526e-01 -8.027508526e-01 4.36 -7.797116601e-01 -7.797116601e-01 4.38 -7.572543713e-01 -7.572543713e-01 4.40 -7.353630195e-01 -7.353630195e-01 4.42 -7.140226037e-01 -7.140226037e-01 4.44 -6.932190259e-01 -6.932190259e-01 4.46 -6.729390001e-01 -6.729390001e-01 4.48 -6.531699390e-01 -6.531699390e-01 4.50 -6.338998230e-01 -6.338998230e-01 4.52 -6.151170623e-01 -6.151170623e-01 4.54 -5.968103563e-01 -5.968103563e-01 4.56 -5.789685602e-01 -5.789685602e-01 4.58 -5.615805644e-01 -5.615805644e-01 4.60 -5.446351910e-01 -5.446351910e-01 4.62 -5.281211122e-01 -5.281211122e-01 4.64 -5.120267929e-01 -5.120267929e-01 4.66 -4.963404599e-01 -4.963404599e-01 4.68 -4.810500986e-01 -4.810500986e-01 4.70 -4.661434808e-01 -4.661434808e-01 4.72 -4.516082229e-01 -4.516082229e-01 4.74 -4.374318786e-01 -4.374318786e-01 4.76 -4.236020674e-01 -4.236020674e-01 4.78 -4.101066390e-01 -4.101066390e-01 4.80 -3.969330783e-01 -3.969330783e-01 4.82 -3.840720575e-01 -3.840720575e-01 4.84 -3.715125143e-01 -3.715125143e-01 4.86 -3.592455453e-01 -3.592455453e-01 4.88 -3.472637336e-01 -3.472637336e-01 4.90 -3.355613993e-01 -3.355613993e-01 4.92 -3.241347910e-01 -3.241347910e-01 4.94 -3.129821872e-01 -3.129821872e-01 4.96 -3.021038739e-01 -3.021038739e-01 4.98 -2.915019740e-01 -2.915019740e-01 5.00 -2.811801191e-01 -2.811801191e-01 5.02 -2.711429722e-01 -2.711429722e-01 5.04 -2.613956347e-01 -2.613956347e-01 5.06 -2.519429914e-01 -2.519429914e-01 5.08 -2.427890602e-01 -2.427890602e-01 5.10 -2.339364168e-01 -2.339364168e-01 5.12 -2.253857553e-01 -2.253857553e-01 5.14 -2.171356233e-01 -2.171356233e-01 5.16 -2.091823441e-01 -2.091823441e-01 5.18 -2.015201122e-01 -2.015201122e-01 5.20 -1.941412242e-01 -1.941412242e-01 5.22 -1.870363982e-01 -1.870363982e-01 5.24 -1.801951286e-01 -1.801951286e-01 5.26 -1.736060322e-01 -1.736060322e-01 5.28 -1.672571524e-01 -1.672571524e-01 5.30 -1.611362016e-01 -1.611362016e-01 5.32 -1.552307379e-01 -1.552307379e-01 5.34 -1.495282795e-01 -1.495282795e-01 5.36 -1.440163730e-01 -1.440163730e-01 5.38 -1.386826294e-01 -1.386826294e-01 5.40 -1.335147466e-01 -1.335147466e-01 5.42 -1.285005338e-01 -1.285005338e-01 5.44 -1.236279480e-01 -1.236279480e-01 5.46 -1.188851534e-01 -1.188851534e-01 5.48 -1.142606067e-01 -1.142606067e-01 5.50 -1.097431701e-01 -1.097431701e-01 5.52 -1.053222524e-01 -1.053222524e-01 5.54 -1.009879748e-01 -1.009879748e-01 5.56 -9.673135767e-02 -9.673135767e-02 5.58 -9.254452201e-02 -9.254452201e-02 5.60 -8.842089888e-02 -8.842089888e-02 5.62 -8.435543538e-02 -8.435543538e-02 5.64 -8.034478480e-02 -8.034478480e-02 5.66 -7.638746595e-02 -7.638746595e-02 5.68 -7.248397215e-02 -7.248397215e-02 5.70 -6.863681633e-02 -6.863681633e-02 5.72 -6.485048930e-02 -6.485048930e-02 5.74 -6.113132155e-02 -6.113132155e-02 5.76 -5.748724144e-02 -5.748724144e-02 5.78 -5.392743414e-02 -5.392743414e-02 5.80 -5.046190964e-02 -5.046190964e-02 5.82 -4.710100971e-02 -4.710100971e-02 5.84 -4.385489111e-02 -4.385489111e-02 5.86 -4.073301786e-02 -4.073301786e-02 5.88 -3.774370536e-02 -3.774370536e-02 5.90 -3.489375162e-02 -3.489375162e-02 5.92 -3.218799593e-02 -3.218799593e-02 5.94 -2.962903874e-02 -2.962903874e-02 5.96 -2.721833031e-02 -2.721833031e-02 5.98 -2.495557356e-02 -2.495557356e-02 6.00 -2.283876496e-02 -2.283876496e-02