# 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 = TiWZr2 # 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 3.923792108e+02 3.923792108e+02 1.30 3.641906718e+02 3.641906718e+02 1.32 3.380786599e+02 3.380786599e+02 1.34 3.138756144e+02 3.138756144e+02 1.36 2.914277493e+02 2.914277493e+02 1.38 2.705945843e+02 2.705945843e+02 1.40 2.512482936e+02 2.512482936e+02 1.42 2.332722227e+02 2.332722227e+02 1.44 2.165595043e+02 2.165595043e+02 1.46 2.010126533e+02 2.010126533e+02 1.48 1.865435566e+02 1.865435566e+02 1.50 1.730727805e+02 1.730727805e+02 1.52 1.605282793e+02 1.605282793e+02 1.54 1.488442613e+02 1.488442613e+02 1.56 1.379607112e+02 1.379607112e+02 1.58 1.278233079e+02 1.278233079e+02 1.60 1.183829262e+02 1.183829262e+02 1.62 1.095944919e+02 1.095944919e+02 1.64 1.014156475e+02 1.014156475e+02 1.66 9.380576873e+01 9.380576873e+01 1.68 8.672556686e+01 8.672556686e+01 1.70 8.013734527e+01 8.013734527e+01 1.72 7.400547581e+01 7.400547581e+01 1.74 6.829682731e+01 6.829682731e+01 1.76 6.298087902e+01 6.298087902e+01 1.78 5.802959338e+01 5.802959338e+01 1.80 5.341711717e+01 5.341711717e+01 1.82 4.911952479e+01 4.911952479e+01 1.84 4.511452091e+01 4.511452091e+01 1.86 4.138139485e+01 4.138139485e+01 1.88 3.790107420e+01 3.790107420e+01 1.90 3.465621036e+01 3.465621036e+01 1.92 3.163109626e+01 3.163109626e+01 1.94 2.881144993e+01 2.881144993e+01 1.96 2.618408324e+01 2.618408324e+01 1.98 2.373667726e+01 2.373667726e+01 2.00 2.145764081e+01 2.145764081e+01 2.02 1.933602410e+01 1.933602410e+01 2.04 1.736246760e+01 1.736246760e+01 2.06 1.552750494e+01 1.552750494e+01 2.08 1.382153059e+01 1.382153059e+01 2.10 1.223519300e+01 1.223519300e+01 2.12 1.075958330e+01 1.075958330e+01 2.14 9.386356910e+00 9.386356910e+00 2.16 8.107865722e+00 8.107865722e+00 2.18 6.917219606e+00 6.917219606e+00 2.20 5.808276183e+00 5.808276183e+00 2.22 4.775536693e+00 4.775536693e+00 2.24 3.814030141e+00 3.814030141e+00 2.26 2.919220840e+00 2.919220840e+00 2.28 2.086939054e+00 2.086939054e+00 2.30 1.313376471e+00 1.313376471e+00 2.32 5.950164197e-01 5.950164197e-01 2.34 -7.136202475e-02 -7.136202475e-02 2.36 -6.887635293e-01 -6.887635293e-01 2.38 -1.260019134e+00 -1.260019134e+00 2.40 -1.787831301e+00 -1.787831301e+00 2.42 -2.274816384e+00 -2.274816384e+00 2.44 -2.723521068e+00 -2.723521068e+00 2.46 -3.136436624e+00 -3.136436624e+00 2.48 -3.515987477e+00 -3.515987477e+00 2.50 -3.864506342e+00 -3.864506342e+00 2.52 -4.184200765e+00 -4.184200765e+00 2.54 -4.477119272e+00 -4.477119272e+00 2.56 -4.745125537e+00 -4.745125537e+00 2.58 -4.989887989e+00 -4.989887989e+00 2.60 -5.212888689e+00 -5.212888689e+00 2.62 -5.415445184e+00 -5.415445184e+00 2.64 -5.598762645e+00 -5.598762645e+00 2.66 -5.763941479e+00 -5.763941479e+00 2.68 -5.912026396e+00 -5.912026396e+00 2.70 -6.044020673e+00 -6.044020673e+00 2.72 -6.160896833e+00 -6.160896833e+00 2.74 -6.263599382e+00 -6.263599382e+00 2.76 -6.353041596e+00 -6.353041596e+00 2.78 -6.430093138e+00 -6.430093138e+00 2.80 -6.495530907e+00 -6.495530907e+00 2.82 -6.550150817e+00 -6.550150817e+00 2.84 -6.594728322e+00 -6.594728322e+00 2.86 -6.629980632e+00 -6.629980632e+00 2.88 -6.656670650e+00 -6.656670650e+00 2.90 -6.675392526e+00 -6.675392526e+00 2.92 -6.686606387e+00 -6.686606387e+00 2.94 -6.690758211e+00 -6.690758211e+00 2.96 -6.688278765e+00 -6.688278765e+00 2.98 -6.679569264e+00 -6.679569264e+00 3.00 -6.664896153e+00 -6.664896153e+00 3.02 -6.644506305e+00 -6.644506305e+00 3.04 -6.618607859e+00 -6.618607859e+00 3.06 -6.587135717e+00 -6.587135717e+00 3.08 -6.549961457e+00 -6.549961457e+00 3.10 -6.507028795e+00 -6.507028795e+00 3.12 -6.458334691e+00 -6.458334691e+00 3.14 -6.403936892e+00 -6.403936892e+00 3.16 -6.343921666e+00 -6.343921666e+00 3.18 -6.278373381e+00 -6.278373381e+00 3.20 -6.207346959e+00 -6.207346959e+00 3.22 -6.130957670e+00 -6.130957670e+00 3.24 -6.049383912e+00 -6.049383912e+00 3.26 -5.962861657e+00 -5.962861657e+00 3.28 -5.871680228e+00 -5.871680228e+00 3.30 -5.776177654e+00 -5.776177654e+00 3.32 -5.676734001e+00 -5.676734001e+00 3.34 -5.573762175e+00 -5.573762175e+00 3.36 -5.467697186e+00 -5.467697186e+00 3.38 -5.358985926e+00 -5.358985926e+00 3.40 -5.248077997e+00 -5.248077997e+00 3.42 -5.135427622e+00 -5.135427622e+00 3.44 -5.021482189e+00 -5.021482189e+00 3.46 -4.906688644e+00 -4.906688644e+00 3.48 -4.791490090e+00 -4.791490090e+00 3.50 -4.676321950e+00 -4.676321950e+00 3.52 -4.561605424e+00 -4.561605424e+00 3.54 -4.447738736e+00 -4.447738736e+00 3.56 -4.335087320e+00 -4.335087320e+00 3.58 -4.223974346e+00 -4.223974346e+00 3.60 -4.114672963e+00 -4.114672963e+00 3.62 -4.007401354e+00 -4.007401354e+00 3.64 -3.902321231e+00 -3.902321231e+00 3.66 -3.799539886e+00 -3.799539886e+00 3.68 -3.699115414e+00 -3.699115414e+00 3.70 -3.601064396e+00 -3.601064396e+00 3.72 -3.505371146e+00 -3.505371146e+00 3.74 -3.411997641e+00 -3.411997641e+00 3.76 -3.320893316e+00 -3.320893316e+00 3.78 -3.232004043e+00 -3.232004043e+00 3.80 -3.145279669e+00 -3.145279669e+00 3.82 -3.060679550e+00 -3.060679550e+00 3.84 -2.978175616e+00 -2.978175616e+00 3.86 -2.897752703e+00 -2.897752703e+00 3.88 -2.819406194e+00 -2.819406194e+00 3.90 -2.743137465e+00 -2.743137465e+00 3.92 -2.668944603e+00 -2.668944603e+00 3.94 -2.596830978e+00 -2.596830978e+00 3.96 -2.526777470e+00 -2.526777470e+00 3.98 -2.458755677e+00 -2.458755677e+00 4.00 -2.392722873e+00 -2.392722873e+00 4.02 -2.328623293e+00 -2.328623293e+00 4.04 -2.266390878e+00 -2.266390878e+00 4.06 -2.205952733e+00 -2.205952733e+00 4.08 -2.147232667e+00 -2.147232667e+00 4.10 -2.090145188e+00 -2.090145188e+00 4.12 -2.034636172e+00 -2.034636172e+00 4.14 -1.980624281e+00 -1.980624281e+00 4.16 -1.928044390e+00 -1.928044390e+00 4.18 -1.876836736e+00 -1.876836736e+00 4.20 -1.826946918e+00 -1.826946918e+00 4.22 -1.778325610e+00 -1.778325610e+00 4.24 -1.730928110e+00 -1.730928110e+00 4.26 -1.684713811e+00 -1.684713811e+00 4.28 -1.639645666e+00 -1.639645666e+00 4.30 -1.595689696e+00 -1.595689696e+00 4.32 -1.552814548e+00 -1.552814548e+00 4.34 -1.510991126e+00 -1.510991126e+00 4.36 -1.470192285e+00 -1.470192285e+00 4.38 -1.430392578e+00 -1.430392578e+00 4.40 -1.391568049e+00 -1.391568049e+00 4.42 -1.353696042e+00 -1.353696042e+00 4.44 -1.316755039e+00 -1.316755039e+00 4.46 -1.280724493e+00 -1.280724493e+00 4.48 -1.245584672e+00 -1.245584672e+00 4.50 -1.211316498e+00 -1.211316498e+00 4.52 -1.177901399e+00 -1.177901399e+00 4.54 -1.145321164e+00 -1.145321164e+00 4.56 -1.113557812e+00 -1.113557812e+00 4.58 -1.082593483e+00 -1.082593483e+00 4.60 -1.052410350e+00 -1.052410350e+00 4.62 -1.022990546e+00 -1.022990546e+00 4.64 -9.943161301e-01 -9.943161301e-01 4.66 -9.663690672e-01 -9.663690672e-01 4.68 -9.391312357e-01 -9.391312357e-01 4.70 -9.125844578e-01 -9.125844578e-01 4.72 -8.867105507e-01 -8.867105507e-01 4.74 -8.614913983e-01 -8.614913983e-01 4.76 -8.369090411e-01 -8.369090411e-01 4.78 -8.129457842e-01 -8.129457842e-01 4.80 -7.895781966e-01 -7.895781966e-01 4.82 -7.668027810e-01 -7.668027810e-01 4.84 -7.445960859e-01 -7.445960859e-01 4.86 -7.229428493e-01 -7.229428493e-01 4.88 -7.018287620e-01 -7.018287620e-01 4.90 -6.812405876e-01 -6.812405876e-01 4.92 -6.611662458e-01 -6.611662458e-01 4.94 -6.415948394e-01 -6.415948394e-01 4.96 -6.225166092e-01 -6.225166092e-01 4.98 -6.039228029e-01 -6.039228029e-01 5.00 -5.858054534e-01 -5.858054534e-01 5.02 -5.681570735e-01 -5.681570735e-01 5.04 -5.509702870e-01 -5.509702870e-01 5.06 -5.342374296e-01 -5.342374296e-01 5.08 -5.179501606e-01 -5.179501606e-01 5.10 -5.020991291e-01 -5.020991291e-01 5.12 -4.866737355e-01 -4.866737355e-01 5.14 -4.716620152e-01 -4.716620152e-01 5.16 -4.570506581e-01 -4.570506581e-01 5.18 -4.428251612e-01 -4.428251612e-01 5.20 -4.289700994e-01 -4.289700994e-01 5.22 -4.154694885e-01 -4.154694885e-01 5.24 -4.023072127e-01 -4.023072127e-01 5.26 -3.894674861e-01 -3.894674861e-01 5.28 -3.769353222e-01 -3.769353222e-01 5.30 -3.646969857e-01 -3.646969857e-01 5.32 -3.527404039e-01 -3.527404039e-01 5.34 -3.410555159e-01 -3.410555159e-01 5.36 -3.296345357e-01 -3.296345357e-01 5.38 -3.184721095e-01 -3.184721095e-01 5.40 -3.075653444e-01 -3.075653444e-01 5.42 -2.969136937e-01 -2.969136937e-01 5.44 -2.865186923e-01 -2.865186923e-01 5.46 -2.763835479e-01 -2.763835479e-01 5.48 -2.665126094e-01 -2.665126094e-01 5.50 -2.569107508e-01 -2.569107508e-01 5.52 -2.475827225e-01 -2.475827225e-01 5.54 -2.385325279e-01 -2.385325279e-01 5.56 -2.297628854e-01 -2.297628854e-01 5.58 -2.212748245e-01 -2.212748245e-01 5.60 -2.130674489e-01 -2.130674489e-01 5.62 -2.051378773e-01 -2.051378773e-01 5.64 -1.974813524e-01 -1.974813524e-01 5.66 -1.900914856e-01 -1.900914856e-01 5.68 -1.829605963e-01 -1.829605963e-01 5.70 -1.760800933e-01 -1.760800933e-01 5.72 -1.694408510e-01 -1.694408510e-01 5.74 -1.630335397e-01 -1.630335397e-01 5.76 -1.568488767e-01 -1.568488767e-01 5.78 -1.508777839e-01 -1.508777839e-01 5.80 -1.451114485e-01 -1.451114485e-01 5.82 -1.395412773e-01 -1.395412773e-01 5.84 -1.341585720e-01 -1.341585720e-01 5.86 -1.289549746e-01 -1.289549746e-01 5.88 -1.239220807e-01 -1.239220807e-01 5.90 -1.190511767e-01 -1.190511767e-01 5.92 -1.143331580e-01 -1.143331580e-01 5.94 -1.097584998e-01 -1.097584998e-01 5.96 -1.053172877e-01 -1.053172877e-01 5.98 -1.009993101e-01 -1.009993101e-01 6.00 -9.679420495e-02 -9.679420495e-02