# 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 = MgPdW2 # 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 4.974080221e+02 4.974080221e+02 1.30 4.606832590e+02 4.606832590e+02 1.32 4.267275411e+02 4.267275411e+02 1.34 3.953120659e+02 3.953120659e+02 1.36 3.662286396e+02 3.662286396e+02 1.38 3.392872828e+02 3.392872828e+02 1.40 3.143153178e+02 3.143153178e+02 1.42 2.911566654e+02 2.911566654e+02 1.44 2.696706396e+02 2.696706396e+02 1.46 2.497301493e+02 2.497301493e+02 1.48 2.312196389e+02 2.312196389e+02 1.50 2.140332949e+02 2.140332949e+02 1.52 1.980738266e+02 1.980738266e+02 1.54 1.832517222e+02 1.832517222e+02 1.56 1.694846330e+02 1.694846330e+02 1.58 1.566966638e+02 1.566966638e+02 1.60 1.448175914e+02 1.448175914e+02 1.62 1.337821770e+02 1.337821770e+02 1.64 1.235296533e+02 1.235296533e+02 1.66 1.140033363e+02 1.140033363e+02 1.68 1.051503071e+02 1.051503071e+02 1.70 9.692118049e+01 9.692118049e+01 1.72 8.927000752e+01 8.927000752e+01 1.74 8.215432132e+01 8.215432132e+01 1.76 7.553525901e+01 7.553525901e+01 1.78 6.937761292e+01 6.937761292e+01 1.80 6.364989439e+01 6.364989439e+01 1.82 5.832458289e+01 5.832458289e+01 1.84 5.337546786e+01 5.337546786e+01 1.86 4.877798167e+01 4.877798167e+01 1.88 4.451437992e+01 4.451437992e+01 1.90 4.057450279e+01 4.057450279e+01 1.92 3.693509544e+01 3.693509544e+01 1.94 3.357393618e+01 3.357393618e+01 1.96 3.047044781e+01 3.047044781e+01 1.98 2.760559813e+01 2.760559813e+01 2.00 2.496173585e+01 2.496173585e+01 2.02 2.252240283e+01 2.252240283e+01 2.04 2.027215412e+01 2.027215412e+01 2.06 1.819640690e+01 1.819640690e+01 2.08 1.628133796e+01 1.628133796e+01 2.10 1.451384531e+01 1.451384531e+01 2.12 1.288158376e+01 1.288158376e+01 2.14 1.137305793e+01 1.137305793e+01 2.16 9.977738779e+00 9.977738779e+00 2.18 8.686155651e+00 8.686155651e+00 2.20 7.489927896e+00 7.489927896e+00 2.22 6.381720253e+00 6.381720253e+00 2.24 5.355134957e+00 5.355134957e+00 2.26 4.404565765e+00 4.404565765e+00 2.28 3.525042077e+00 3.525042077e+00 2.30 2.712084295e+00 2.712084295e+00 2.32 1.961581360e+00 1.961581360e+00 2.34 1.269698626e+00 1.269698626e+00 2.36 6.328106967e-01 6.328106967e-01 2.38 4.746054599e-02 4.746054599e-02 2.40 -4.895711825e-01 -4.895711825e-01 2.42 -9.813742194e-01 -9.813742194e-01 2.44 -1.431174459e+00 -1.431174459e+00 2.46 -1.842024589e+00 -1.842024589e+00 2.48 -2.216791894e+00 -2.216791894e+00 2.50 -2.558148880e+00 -2.558148880e+00 2.52 -2.868558498e+00 -2.868558498e+00 2.54 -3.150256442e+00 -3.150256442e+00 2.56 -3.404984094e+00 -3.404984094e+00 2.58 -3.633844339e+00 -3.633844339e+00 2.60 -3.837841652e+00 -3.837841652e+00 2.62 -4.017941522e+00 -4.017941522e+00 2.64 -4.175076435e+00 -4.175076435e+00 2.66 -4.310154232e+00 -4.310154232e+00 2.68 -4.424069013e+00 -4.424069013e+00 2.70 -4.517709002e+00 -4.517709002e+00 2.72 -4.591961702e+00 -4.591961702e+00 2.74 -4.647716177e+00 -4.647716177e+00 2.76 -4.685863434e+00 -4.685863434e+00 2.78 -4.707296362e+00 -4.707296362e+00 2.80 -4.712911803e+00 -4.712911803e+00 2.82 -4.703614512e+00 -4.703614512e+00 2.84 -4.680326522e+00 -4.680326522e+00 2.86 -4.643999599e+00 -4.643999599e+00 2.88 -4.595630088e+00 -4.595630088e+00 2.90 -4.536344728e+00 -4.536344728e+00 2.92 -4.467574402e+00 -4.467574402e+00 2.94 -4.390389288e+00 -4.390389288e+00 2.96 -4.305888330e+00 -4.305888330e+00 2.98 -4.215242115e+00 -4.215242115e+00 3.00 -4.119657602e+00 -4.119657602e+00 3.02 -4.020334277e+00 -4.020334277e+00 3.04 -3.918416078e+00 -3.918416078e+00 3.06 -3.814951947e+00 -3.814951947e+00 3.08 -3.710893521e+00 -3.710893521e+00 3.10 -3.607036028e+00 -3.607036028e+00 3.12 -3.503982648e+00 -3.503982648e+00 3.14 -3.402148644e+00 -3.402148644e+00 3.16 -3.301774736e+00 -3.301774736e+00 3.18 -3.202953319e+00 -3.202953319e+00 3.20 -3.105658718e+00 -3.105658718e+00 3.22 -3.009780216e+00 -3.009780216e+00 3.24 -2.915154636e+00 -2.915154636e+00 3.26 -2.821596393e+00 -2.821596393e+00 3.28 -2.728923721e+00 -2.728923721e+00 3.30 -2.636980394e+00 -2.636980394e+00 3.32 -2.545652724e+00 -2.545652724e+00 3.34 -2.454881954e+00 -2.454881954e+00 3.36 -2.364672229e+00 -2.364672229e+00 3.38 -2.275096167e+00 -2.275096167e+00 3.40 -2.186336648e+00 -2.186336648e+00 3.42 -2.098513454e+00 -2.098513454e+00 3.44 -2.011768448e+00 -2.011768448e+00 3.46 -1.926315498e+00 -1.926315498e+00 3.48 -1.842283476e+00 -1.842283476e+00 3.50 -1.759632794e+00 -1.759632794e+00 3.52 -1.678438975e+00 -1.678438975e+00 3.54 -1.598896396e+00 -1.598896396e+00 3.56 -1.521281193e+00 -1.521281193e+00 3.58 -1.445911662e+00 -1.445911662e+00 3.60 -1.373110571e+00 -1.373110571e+00 3.62 -1.303173065e+00 -1.303173065e+00 3.64 -1.236342646e+00 -1.236342646e+00 3.66 -1.172796209e+00 -1.172796209e+00 3.68 -1.112637765e+00 -1.112637765e+00 3.70 -1.055899524e+00 -1.055899524e+00 3.72 -1.002548448e+00 -1.002548448e+00 3.74 -9.524962677e-01 -9.524962677e-01 3.76 -9.056111623e-01 -9.056111623e-01 3.78 -8.617296257e-01 -8.617296257e-01 3.80 -8.206675054e-01 -8.206675054e-01 3.82 -7.822295742e-01 -7.822295742e-01 3.84 -7.462173449e-01 -7.462173449e-01 3.86 -7.124350922e-01 -7.124350922e-01 3.88 -6.806942251e-01 -6.806942251e-01 3.90 -6.508162672e-01 -6.508162672e-01 3.92 -6.226346570e-01 -6.226346570e-01 3.94 -5.959962658e-01 -5.959962658e-01 3.96 -5.707613746e-01 -5.707613746e-01 3.98 -5.468044169e-01 -5.468044169e-01 4.00 -5.240139502e-01 -5.240139502e-01 4.02 -5.022925736e-01 -5.022925736e-01 4.04 -4.815566434e-01 -4.815566434e-01 4.06 -4.617357207e-01 -4.617357207e-01 4.08 -4.427716837e-01 -4.427716837e-01 4.10 -4.246170664e-01 -4.246170664e-01 4.12 -4.072350407e-01 -4.072350407e-01 4.14 -3.905948516e-01 -3.905948516e-01 4.16 -3.746714756e-01 -3.746714756e-01 4.18 -3.594429341e-01 -3.594429341e-01 4.20 -3.448882637e-01 -3.448882637e-01 4.22 -3.309858307e-01 -3.309858307e-01 4.24 -3.177121129e-01 -3.177121129e-01 4.26 -3.050410095e-01 -3.050410095e-01 4.28 -2.929436358e-01 -2.929436358e-01 4.30 -2.813885376e-01 -2.813885376e-01 4.32 -2.703422308e-01 -2.703422308e-01 4.34 -2.597698157e-01 -2.597698157e-01 4.36 -2.496347824e-01 -2.496347824e-01 4.38 -2.399023984e-01 -2.399023984e-01 4.40 -2.305387755e-01 -2.305387755e-01 4.42 -2.215108467e-01 -2.215108467e-01 4.44 -2.127869701e-01 -2.127869701e-01 4.46 -2.043373652e-01 -2.043373652e-01 4.48 -1.961344333e-01 -1.961344333e-01 4.50 -1.881530090e-01 -1.881530090e-01 4.52 -1.803705787e-01 -1.803705787e-01 4.54 -1.727674946e-01 -1.727674946e-01 4.56 -1.653271967e-01 -1.653271967e-01 4.58 -1.580364461e-01 -1.580364461e-01 4.60 -1.508855594e-01 -1.508855594e-01 4.62 -1.438686206e-01 -1.438686206e-01 4.64 -1.369836381e-01 -1.369836381e-01 4.66 -1.302326069e-01 -1.302326069e-01 4.68 -1.236214326e-01 -1.236214326e-01 4.70 -1.171596794e-01 -1.171596794e-01 4.72 -1.108601145e-01 -1.108601145e-01 4.74 -1.047380425e-01 -1.047380425e-01 4.76 -9.881044675e-02 -9.881044675e-02 4.78 -9.309498389e-02 -9.309498389e-02 4.80 -8.760869573e-02 -8.760869573e-02 4.82 -8.236779797e-02 -8.236779797e-02 4.84 -7.738535680e-02 -7.738535680e-02 4.86 -7.267144731e-02 -7.267144731e-02 4.88 -6.823238808e-02 -6.823238808e-02 4.90 -6.407047022e-02 -6.407047022e-02 4.92 -6.018397178e-02 -6.018397178e-02 4.94 -5.656741815e-02 -5.656741815e-02 4.96 -5.321203397e-02 -5.321203397e-02 4.98 -5.010632253e-02 -5.010632253e-02 5.00 -4.723670777e-02 -4.723670777e-02 5.02 -4.458818112e-02 -4.458818112e-02 5.04 -4.214490736e-02 -4.214490736e-02 5.06 -3.989075830e-02 -3.989075830e-02 5.08 -3.780975708e-02 -3.780975708e-02 5.10 -3.588642669e-02 -3.588642669e-02 5.12 -3.410604717e-02 -3.410604717e-02 5.14 -3.245483024e-02 -3.245483024e-02 5.16 -3.092002373e-02 -3.092002373e-02 5.18 -2.948995955e-02 -2.948995955e-02 5.20 -2.815405848e-02 -2.815405848e-02 5.22 -2.690280360e-02 -2.690280360e-02 5.24 -2.572769250e-02 -2.572769250e-02 5.26 -2.462117639e-02 -2.462117639e-02 5.28 -2.357659210e-02 -2.357659210e-02 5.30 -2.258809149e-02 -2.258809149e-02 5.32 -2.165057103e-02 -2.165057103e-02 5.34 -2.075960296e-02 -2.075960296e-02 5.36 -1.991136878e-02 -1.991136878e-02 5.38 -1.910256618e-02 -1.910256618e-02 5.40 -1.833038227e-02 -1.833038227e-02 5.42 -1.759245829e-02 -1.759245829e-02 5.44 -1.688679212e-02 -1.688679212e-02 5.46 -1.621167871e-02 -1.621167871e-02 5.48 -1.556565180e-02 -1.556565180e-02 5.50 -1.494742823e-02 -1.494742823e-02 5.52 -1.435585648e-02 -1.435585648e-02 5.54 -1.378987092e-02 -1.378987092e-02 5.56 -1.324845360e-02 -1.324845360e-02 5.58 -1.273060449e-02 -1.273060449e-02 5.60 -1.223532069e-02 -1.223532069e-02 5.62 -1.176158417e-02 -1.176158417e-02 5.64 -1.130835729e-02 -1.130835729e-02 5.66 -1.087458433e-02 -1.087458433e-02 5.68 -1.045919757e-02 -1.045919757e-02 5.70 -1.006112600e-02 -1.006112600e-02 5.72 -9.679305070e-03 -9.679305070e-03 5.74 -9.312686379e-03 -9.312686379e-03 5.76 -8.960246285e-03 -8.960246285e-03 5.78 -8.620992973e-03 -8.620992973e-03 5.80 -8.293971796e-03 -8.293971796e-03 5.82 -7.978268929e-03 -7.978268929e-03 5.84 -7.673013575e-03 -7.673013575e-03 5.86 -7.377379033e-03 -7.377379033e-03 5.88 -7.090583022e-03 -7.090583022e-03 5.90 -6.811887619e-03 -6.811887619e-03 5.92 -6.540599177e-03 -6.540599177e-03 5.94 -6.276068531e-03 -6.276068531e-03 5.96 -6.017691752e-03 -6.017691752e-03 5.98 -5.764911662e-03 -5.764911662e-03 6.00 -5.517220240e-03 -5.517220240e-03