# 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 = AuWZr2 # 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 4.458562473e+02 4.458562473e+02 1.30 4.145458451e+02 4.145458451e+02 1.32 3.854952402e+02 3.854952402e+02 1.34 3.585334252e+02 3.585334252e+02 1.36 3.335056886e+02 3.335056886e+02 1.38 3.102696438e+02 3.102696438e+02 1.40 2.886915813e+02 2.886915813e+02 1.42 2.686445149e+02 2.686445149e+02 1.44 2.500082368e+02 2.500082368e+02 1.46 2.326702823e+02 2.326702823e+02 1.48 2.165269767e+02 2.165269767e+02 1.50 2.014843302e+02 2.014843302e+02 1.52 1.874584389e+02 1.874584389e+02 1.54 1.743748527e+02 1.743748527e+02 1.56 1.621672328e+02 1.621672328e+02 1.58 1.507756970e+02 1.507756970e+02 1.60 1.401453821e+02 1.401453821e+02 1.62 1.302253209e+02 1.302253209e+02 1.64 1.209677759e+02 1.209677759e+02 1.66 1.123278541e+02 1.123278541e+02 1.68 1.042634222e+02 1.042634222e+02 1.70 9.673520485e+01 9.673520485e+01 1.72 8.970679568e+01 8.970679568e+01 1.74 8.314451626e+01 8.314451626e+01 1.76 7.701713658e+01 7.701713658e+01 1.78 7.129555514e+01 7.129555514e+01 1.80 6.595249252e+01 6.595249252e+01 1.82 6.096224464e+01 6.096224464e+01 1.84 5.630059429e+01 5.630059429e+01 1.86 5.194490088e+01 5.194490088e+01 1.88 4.787416033e+01 4.787416033e+01 1.90 4.406895904e+01 4.406895904e+01 1.92 4.051133682e+01 4.051133682e+01 1.94 3.718458493e+01 3.718458493e+01 1.96 3.407314028e+01 3.407314028e+01 1.98 3.116252319e+01 3.116252319e+01 2.00 2.843931905e+01 2.843931905e+01 2.02 2.589217004e+01 2.589217004e+01 2.04 2.351061658e+01 2.351061658e+01 2.06 2.129076187e+01 2.129076187e+01 2.08 1.922370158e+01 1.922370158e+01 2.10 1.729887998e+01 1.729887998e+01 2.12 1.550632369e+01 1.550632369e+01 2.14 1.383665727e+01 1.383665727e+01 2.16 1.228113634e+01 1.228113634e+01 2.18 1.083167075e+01 1.083167075e+01 2.20 9.480844279e+00 9.480844279e+00 2.22 8.221883574e+00 8.221883574e+00 2.24 7.048617038e+00 7.048617038e+00 2.26 5.955429400e+00 5.955429400e+00 2.28 4.937204422e+00 4.937204422e+00 2.30 3.989301174e+00 3.989301174e+00 2.32 3.107481826e+00 3.107481826e+00 2.34 2.287852913e+00 2.287852913e+00 2.36 1.526793555e+00 1.526793555e+00 2.38 8.208923514e-01 8.208923514e-01 2.40 1.668973765e-01 1.668973765e-01 2.42 -4.383250053e-01 -4.383250053e-01 2.44 -9.978014471e-01 -9.978014471e-01 2.46 -1.514459907e+00 -1.514459907e+00 2.48 -1.991114943e+00 -1.991114943e+00 2.50 -2.430446210e+00 -2.430446210e+00 2.52 -2.834977864e+00 -2.834977864e+00 2.54 -3.207066111e+00 -3.207066111e+00 2.56 -3.548896858e+00 -3.548896858e+00 2.58 -3.862491395e+00 -3.862491395e+00 2.60 -4.149716950e+00 -4.149716950e+00 2.62 -4.412297894e+00 -4.412297894e+00 2.64 -4.651836160e+00 -4.651836160e+00 2.66 -4.869813036e+00 -4.869813036e+00 2.68 -5.067609671e+00 -5.067609671e+00 2.70 -5.246516404e+00 -5.246516404e+00 2.72 -5.407742664e+00 -5.407742664e+00 2.74 -5.552423988e+00 -5.552423988e+00 2.76 -5.681584984e+00 -5.681584984e+00 2.78 -5.796198527e+00 -5.796198527e+00 2.80 -5.897243055e+00 -5.897243055e+00 2.82 -5.985606312e+00 -5.985606312e+00 2.84 -6.062185002e+00 -6.062185002e+00 2.86 -6.127722526e+00 -6.127722526e+00 2.88 -6.182766530e+00 -6.182766530e+00 2.90 -6.227832321e+00 -6.227832321e+00 2.92 -6.263407100e+00 -6.263407100e+00 2.94 -6.289953254e+00 -6.289953254e+00 2.96 -6.307834977e+00 -6.307834977e+00 2.98 -6.317314310e+00 -6.317314310e+00 3.00 -6.318654398e+00 -6.318654398e+00 3.02 -6.311943413e+00 -6.311943413e+00 3.04 -6.297202159e+00 -6.297202159e+00 3.06 -6.274534752e+00 -6.274534752e+00 3.08 -6.244095540e+00 -6.244095540e+00 3.10 -6.206092949e+00 -6.206092949e+00 3.12 -6.160780459e+00 -6.160780459e+00 3.14 -6.108520699e+00 -6.108520699e+00 3.16 -6.049550899e+00 -6.049550899e+00 3.18 -5.984119277e+00 -5.984119277e+00 3.20 -5.912514049e+00 -5.912514049e+00 3.22 -5.835056012e+00 -5.835056012e+00 3.24 -5.752094425e+00 -5.752094425e+00 3.26 -5.664005831e+00 -5.664005831e+00 3.28 -5.571194482e+00 -5.571194482e+00 3.30 -5.474089413e+00 -5.474089413e+00 3.32 -5.373141290e+00 -5.373141290e+00 3.34 -5.268822271e+00 -5.268822271e+00 3.36 -5.161618519e+00 -5.161618519e+00 3.38 -5.052021821e+00 -5.052021821e+00 3.40 -4.940521273e+00 -4.940521273e+00 3.42 -4.827605696e+00 -4.827605696e+00 3.44 -4.713751009e+00 -4.713751009e+00 3.46 -4.599425988e+00 -4.599425988e+00 3.48 -4.485087505e+00 -4.485087505e+00 3.50 -4.371175576e+00 -4.371175576e+00 3.52 -4.258106175e+00 -4.258106175e+00 3.54 -4.146262605e+00 -4.146262605e+00 3.56 -4.035986728e+00 -4.035986728e+00 3.58 -3.927571397e+00 -3.927571397e+00 3.60 -3.821255199e+00 -3.821255199e+00 3.62 -3.717220143e+00 -3.717220143e+00 3.64 -3.615592460e+00 -3.615592460e+00 3.66 -3.516446291e+00 -3.516446291e+00 3.68 -3.419809734e+00 -3.419809734e+00 3.70 -3.325672634e+00 -3.325672634e+00 3.72 -3.233995457e+00 -3.233995457e+00 3.74 -3.144718611e+00 -3.144718611e+00 3.76 -3.057771650e+00 -3.057771650e+00 3.78 -2.973081794e+00 -2.973081794e+00 3.80 -2.890581195e+00 -2.890581195e+00 3.82 -2.810212384e+00 -2.810212384e+00 3.84 -2.731931360e+00 -2.731931360e+00 3.86 -2.655708010e+00 -2.655708010e+00 3.88 -2.581523844e+00 -2.581523844e+00 3.90 -2.509367498e+00 -2.509367498e+00 3.92 -2.439225395e+00 -2.439225395e+00 3.94 -2.371090664e+00 -2.371090664e+00 3.96 -2.304934779e+00 -2.304934779e+00 3.98 -2.240721145e+00 -2.240721145e+00 4.00 -2.178399935e+00 -2.178399935e+00 4.02 -2.117909381e+00 -2.117909381e+00 4.04 -2.059178533e+00 -2.059178533e+00 4.06 -2.002130769e+00 -2.002130769e+00 4.08 -1.946687394e+00 -1.946687394e+00 4.10 -1.892762226e+00 -1.892762226e+00 4.12 -1.840300380e+00 -1.840300380e+00 4.14 -1.789223045e+00 -1.789223045e+00 4.16 -1.739468864e+00 -1.739468864e+00 4.18 -1.690983872e+00 -1.690983872e+00 4.20 -1.643721655e+00 -1.643721655e+00 4.22 -1.597643142e+00 -1.597643142e+00 4.24 -1.552716101e+00 -1.552716101e+00 4.26 -1.508914410e+00 -1.508914410e+00 4.28 -1.466217114e+00 -1.466217114e+00 4.30 -1.424607335e+00 -1.424607335e+00 4.32 -1.384071072e+00 -1.384071072e+00 4.34 -1.344595959e+00 -1.344595959e+00 4.36 -1.306170058e+00 -1.306170058e+00 4.38 -1.268780782e+00 -1.268780782e+00 4.40 -1.232414007e+00 -1.232414007e+00 4.42 -1.197053442e+00 -1.197053442e+00 4.44 -1.162680270e+00 -1.162680270e+00 4.46 -1.129273067e+00 -1.129273067e+00 4.48 -1.096807950e+00 -1.096807950e+00 4.50 -1.065258892e+00 -1.065258892e+00 4.52 -1.034598167e+00 -1.034598167e+00 4.54 -1.004796823e+00 -1.004796823e+00 4.56 -9.758251780e-01 -9.758251780e-01 4.58 -9.476532595e-01 -9.476532595e-01 4.60 -9.202512038e-01 -9.202512038e-01 4.62 -8.935895842e-01 -8.935895842e-01 4.64 -8.676396831e-01 -8.676396831e-01 4.66 -8.423737135e-01 -8.423737135e-01 4.68 -8.177650032e-01 -8.177650032e-01 4.70 -7.937881550e-01 -7.937881550e-01 4.72 -7.704191929e-01 -7.704191929e-01 4.74 -7.476357048e-01 -7.476357048e-01 4.76 -7.254169820e-01 -7.254169820e-01 4.78 -7.037441583e-01 -7.037441583e-01 4.80 -6.825941906e-01 -6.825941906e-01 4.82 -6.619656170e-01 -6.619656170e-01 4.84 -6.418384286e-01 -6.418384286e-01 4.86 -6.222022215e-01 -6.222022215e-01 4.88 -6.030487491e-01 -6.030487491e-01 4.90 -5.843718006e-01 -5.843718006e-01 4.92 -5.661669800e-01 -5.661669800e-01 4.94 -5.484313809e-01 -5.484313809e-01 4.96 -5.311631622e-01 -5.311631622e-01 4.98 -5.143610416e-01 -5.143610416e-01 5.00 -4.980237371e-01 -4.980237371e-01 5.02 -4.821493952e-01 -4.821493952e-01 5.04 -4.667350492e-01 -4.667350492e-01 5.06 -4.517761541e-01 -4.517761541e-01 5.08 -4.372662340e-01 -4.372662340e-01 5.10 -4.231966716e-01 -4.231966716e-01 5.12 -4.095566511e-01 -4.095566511e-01 5.14 -3.963332553e-01 -3.963332553e-01 5.16 -3.835117018e-01 -3.835117018e-01 5.18 -3.710756961e-01 -3.710756961e-01 5.20 -3.590078728e-01 -3.590078728e-01 5.22 -3.472902957e-01 -3.472902957e-01 5.24 -3.359049901e-01 -3.359049901e-01 5.26 -3.248344800e-01 -3.248344800e-01 5.28 -3.140623109e-01 -3.140623109e-01 5.30 -3.035735380e-01 -3.035735380e-01 5.32 -2.933551597e-01 -2.933551597e-01 5.34 -2.833964788e-01 -2.833964788e-01 5.36 -2.736893692e-01 -2.736893692e-01 5.38 -2.642284265e-01 -2.642284265e-01 5.40 -2.550109822e-01 -2.550109822e-01 5.42 -2.460369655e-01 -2.460369655e-01 5.44 -2.373086043e-01 -2.373086043e-01 5.46 -2.288299728e-01 -2.288299728e-01 5.48 -2.206064059e-01 -2.206064059e-01 5.50 -2.126438164e-01 -2.126438164e-01 5.52 -2.049479717e-01 -2.049479717e-01 5.54 -1.975237854e-01 -1.975237854e-01 5.56 -1.903746853e-01 -1.903746853e-01 5.58 -1.835021098e-01 -1.835021098e-01 5.60 -1.769050357e-01 -1.769050357e-01 5.62 -1.705798199e-01 -1.705798199e-01 5.64 -1.645208278e-01 -1.645208278e-01 5.66 -1.587200618e-01 -1.587200618e-01 5.68 -1.531674282e-01 -1.531674282e-01 5.70 -1.478511138e-01 -1.478511138e-01 5.72 -1.427579966e-01 -1.427579966e-01 5.74 -1.378740517e-01 -1.378740517e-01 5.76 -1.331847281e-01 -1.331847281e-01 5.78 -1.286752759e-01 -1.286752759e-01 5.80 -1.243310164e-01 -1.243310164e-01 5.82 -1.201375537e-01 -1.201375537e-01 5.84 -1.160809313e-01 -1.160809313e-01 5.86 -1.121477407e-01 -1.121477407e-01 5.88 -1.083251927e-01 -1.083251927e-01 5.90 -1.046011607e-01 -1.046011607e-01 5.92 -1.009642056e-01 -1.009642056e-01 5.94 -9.740359230e-02 -9.740359230e-02 5.96 -9.390930456e-02 -9.390930456e-02 5.98 -9.047206573e-02 -9.047206573e-02 6.00 -8.708337006e-02 -8.708337006e-02