# 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 = AgMo2Pt # 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 3.462698161e+02 3.462698161e+02 1.30 3.219051184e+02 3.219051184e+02 1.32 2.992291314e+02 2.992291314e+02 1.34 2.781141249e+02 2.781141249e+02 1.36 2.584546270e+02 2.584546270e+02 1.38 2.401569309e+02 2.401569309e+02 1.40 2.231306340e+02 2.231306340e+02 1.42 2.072851384e+02 2.072851384e+02 1.44 1.925306820e+02 1.925306820e+02 1.46 1.787816557e+02 1.787816557e+02 1.48 1.659595070e+02 1.659595070e+02 1.50 1.539936011e+02 1.539936011e+02 1.52 1.428202418e+02 1.428202418e+02 1.54 1.323810836e+02 1.323810836e+02 1.56 1.226219557e+02 1.226219557e+02 1.58 1.134922540e+02 1.134922540e+02 1.60 1.049445180e+02 1.049445180e+02 1.62 9.693404572e+01 9.693404572e+01 1.64 8.941879950e+01 8.941879950e+01 1.66 8.235985767e+01 8.235985767e+01 1.68 7.572231818e+01 7.572231818e+01 1.70 6.947624622e+01 6.947624622e+01 1.72 6.359714340e+01 6.359714340e+01 1.74 5.806556602e+01 5.806556602e+01 1.76 5.286597603e+01 5.286597603e+01 1.78 4.798827546e+01 4.798827546e+01 1.80 4.342768805e+01 4.342768805e+01 1.82 3.922961792e+01 3.922961792e+01 1.84 3.538854559e+01 3.538854559e+01 1.86 3.187782569e+01 3.187782569e+01 1.88 2.867057274e+01 2.867057274e+01 1.90 2.574036241e+01 2.574036241e+01 1.92 2.306195122e+01 2.306195122e+01 1.94 2.061184905e+01 2.061184905e+01 1.96 1.836864147e+01 1.836864147e+01 1.98 1.631307076e+01 1.631307076e+01 2.00 1.442794525e+01 1.442794525e+01 2.02 1.269795013e+01 1.269795013e+01 2.04 1.110941224e+01 1.110941224e+01 2.06 9.650053769e+00 9.650053769e+00 2.08 8.308762047e+00 8.308762047e+00 2.10 7.075400510e+00 7.075400510e+00 2.12 5.940679342e+00 5.940679342e+00 2.14 4.896091884e+00 4.896091884e+00 2.16 3.933905116e+00 3.933905116e+00 2.18 3.047175907e+00 3.047175907e+00 2.20 2.229758290e+00 2.229758290e+00 2.22 1.476276152e+00 1.476276152e+00 2.24 7.820548408e-01 7.820548408e-01 2.26 1.430224678e-01 1.430224678e-01 2.28 -4.444008704e-01 -4.444008704e-01 2.30 -9.834097357e-01 -9.834097357e-01 2.32 -1.476906156e+00 -1.476906156e+00 2.34 -1.927574896e+00 -1.927574896e+00 2.36 -2.337941316e+00 -2.337941316e+00 2.38 -2.710413310e+00 -2.710413310e+00 2.40 -3.047309383e+00 -3.047309383e+00 2.42 -3.350875433e+00 -3.350875433e+00 2.44 -3.623293611e+00 -3.623293611e+00 2.46 -3.866687256e+00 -3.866687256e+00 2.48 -4.083124865e+00 -4.083124865e+00 2.50 -4.274622656e+00 -4.274622656e+00 2.52 -4.443140835e+00 -4.443140835e+00 2.54 -4.590566596e+00 -4.590566596e+00 2.56 -4.718467013e+00 -4.718467013e+00 2.58 -4.828840723e+00 -4.828840723e+00 2.60 -4.924354230e+00 -4.924354230e+00 2.62 -5.006227194e+00 -5.006227194e+00 2.64 -5.075390899e+00 -5.075390899e+00 2.66 -5.132602966e+00 -5.132602966e+00 2.68 -5.178486971e+00 -5.178486971e+00 2.70 -5.213576393e+00 -5.213576393e+00 2.72 -5.238215680e+00 -5.238215680e+00 2.74 -5.252405695e+00 -5.252405695e+00 2.76 -5.256175004e+00 -5.256175004e+00 2.78 -5.249636047e+00 -5.249636047e+00 2.80 -5.232974686e+00 -5.232974686e+00 2.82 -5.206443031e+00 -5.206443031e+00 2.84 -5.170357273e+00 -5.170357273e+00 2.86 -5.125101134e+00 -5.125101134e+00 2.88 -5.071134171e+00 -5.071134171e+00 2.90 -5.009002529e+00 -5.009002529e+00 2.92 -4.939348195e+00 -4.939348195e+00 2.94 -4.862911849e+00 -4.862911849e+00 2.96 -4.780524553e+00 -4.780524553e+00 2.98 -4.693085275e+00 -4.693085275e+00 3.00 -4.601524507e+00 -4.601524507e+00 3.02 -4.506758163e+00 -4.506758163e+00 3.04 -4.409639011e+00 -4.409639011e+00 3.06 -4.310913845e+00 -4.310913845e+00 3.08 -4.211194003e+00 -4.211194003e+00 3.10 -4.111032682e+00 -4.111032682e+00 3.12 -4.010712850e+00 -4.010712850e+00 3.14 -3.910292589e+00 -3.910292589e+00 3.16 -3.809729911e+00 -3.809729911e+00 3.18 -3.708907557e+00 -3.708907557e+00 3.20 -3.607659346e+00 -3.607659346e+00 3.22 -3.505795988e+00 -3.505795988e+00 3.24 -3.403132124e+00 -3.403132124e+00 3.26 -3.299519268e+00 -3.299519268e+00 3.28 -3.194854722e+00 -3.194854722e+00 3.30 -3.089094984e+00 -3.089094984e+00 3.32 -2.982392710e+00 -2.982392710e+00 3.34 -2.875217750e+00 -2.875217750e+00 3.36 -2.768118773e+00 -2.768118773e+00 3.38 -2.661682365e+00 -2.661682365e+00 3.40 -2.556516416e+00 -2.556516416e+00 3.42 -2.453227915e+00 -2.453227915e+00 3.44 -2.352397705e+00 -2.352397705e+00 3.46 -2.254555226e+00 -2.254555226e+00 3.48 -2.160156209e+00 -2.160156209e+00 3.50 -2.069565790e+00 -2.069565790e+00 3.52 -1.983048640e+00 -1.983048640e+00 3.54 -1.900766578e+00 -1.900766578e+00 3.56 -1.822783118e+00 -1.822783118e+00 3.58 -1.749073550e+00 -1.749073550e+00 3.60 -1.679538760e+00 -1.679538760e+00 3.62 -1.614020859e+00 -1.614020859e+00 3.64 -1.552318980e+00 -1.552318980e+00 3.66 -1.494203945e+00 -1.494203945e+00 3.68 -1.439430993e+00 -1.439430993e+00 3.70 -1.387750182e+00 -1.387750182e+00 3.72 -1.338914384e+00 -1.338914384e+00 3.74 -1.292685052e+00 -1.292685052e+00 3.76 -1.248836063e+00 -1.248836063e+00 3.78 -1.207155969e+00 -1.207155969e+00 3.80 -1.167449036e+00 -1.167449036e+00 3.82 -1.129535386e+00 -1.129535386e+00 3.84 -1.093250521e+00 -1.093250521e+00 3.86 -1.058444471e+00 -1.058444471e+00 3.88 -1.024980749e+00 -1.024980749e+00 3.90 -9.927352583e-01 -9.927352583e-01 3.92 -9.615952727e-01 -9.615952727e-01 3.94 -9.314585648e-01 -9.314585648e-01 3.96 -9.022327404e-01 -9.022327404e-01 3.98 -8.738348357e-01 -8.738348357e-01 4.00 -8.461911780e-01 -8.461911780e-01 4.02 -8.192375119e-01 -8.192375119e-01 4.04 -7.929193527e-01 -7.929193527e-01 4.06 -7.671924965e-01 -7.671924965e-01 4.08 -7.420235764e-01 -7.420235764e-01 4.10 -7.173905102e-01 -7.173905102e-01 4.12 -6.932826937e-01 -6.932826937e-01 4.14 -6.697006756e-01 -6.697006756e-01 4.16 -6.466552631e-01 -6.466552631e-01 4.18 -6.241658792e-01 -6.241658792e-01 4.20 -6.022582111e-01 -6.022582111e-01 4.22 -5.809612713e-01 -5.809612713e-01 4.24 -5.603041166e-01 -5.603041166e-01 4.26 -5.403125510e-01 -5.403125510e-01 4.28 -5.210061643e-01 -5.210061643e-01 4.30 -5.023960092e-01 -5.023960092e-01 4.32 -4.844831195e-01 -4.844831195e-01 4.34 -4.672579370e-01 -4.672579370e-01 4.36 -4.507005809e-01 -4.507005809e-01 4.38 -4.347818040e-01 -4.347818040e-01 4.40 -4.194644208e-01 -4.194644208e-01 4.42 -4.047049654e-01 -4.047049654e-01 4.44 -3.904554090e-01 -3.904554090e-01 4.46 -3.766647995e-01 -3.766647995e-01 4.48 -3.632813096e-01 -3.632813096e-01 4.50 -3.502521428e-01 -3.502521428e-01 4.52 -3.375249717e-01 -3.375249717e-01 4.54 -3.250490955e-01 -3.250490955e-01 4.56 -3.127769173e-01 -3.127769173e-01 4.58 -3.006641439e-01 -3.006641439e-01 4.60 -2.886702848e-01 -2.886702848e-01 4.62 -2.767594206e-01 -2.767594206e-01 4.64 -2.649010068e-01 -2.649010068e-01 4.66 -2.530707244e-01 -2.530707244e-01 4.68 -2.412513579e-01 -2.412513579e-01 4.70 -2.294336562e-01 -2.294336562e-01 4.72 -2.176171037e-01 -2.176171037e-01 4.74 -2.058105092e-01 -2.058105092e-01 4.76 -1.940323054e-01 -1.940323054e-01 4.78 -1.823104571e-01 -1.823104571e-01 4.80 -1.706818902e-01 -1.706818902e-01 4.82 -1.591913996e-01 -1.591913996e-01 4.84 -1.478900255e-01 -1.478900255e-01 4.86 -1.368329858e-01 -1.368329858e-01 4.88 -1.260772767e-01 -1.260772767e-01 4.90 -1.156791233e-01 -1.156791233e-01 4.92 -1.056914830e-01 -1.056914830e-01 4.94 -9.616179573e-02 -9.616179573e-02 4.96 -8.713014898e-02 -8.713014898e-02 4.98 -7.862796610e-02 -7.862796610e-02 5.00 -7.067726648e-02 -7.067726648e-02 5.02 -6.329048220e-02 -6.329048220e-02 5.04 -5.647076687e-02 -5.647076687e-02 5.06 -5.021269995e-02 -5.021269995e-02 5.08 -4.450327535e-02 -4.450327535e-02 5.10 -3.932308158e-02 -3.932308158e-02 5.12 -3.464754002e-02 -3.464754002e-02 5.14 -3.044815579e-02 -3.044815579e-02 5.16 -2.669369432e-02 -2.669369432e-02 5.18 -2.335128646e-02 -2.335128646e-02 5.20 -2.038739497e-02 -2.038739497e-02 5.22 -1.776862570e-02 -1.776862570e-02 5.24 -1.546210227e-02 -1.546210227e-02 5.26 -1.343640912e-02 -1.343640912e-02 5.28 -1.166233869e-02 -1.166233869e-02 5.30 -1.011247247e-02 -1.011247247e-02 5.32 -8.761398094e-03 -8.761398094e-03 5.34 -7.585821082e-03 -7.585821082e-03 5.36 -6.564588641e-03 -6.564588641e-03 5.38 -5.678647438e-03 -5.678647438e-03 5.40 -4.910954317e-03 -4.910954317e-03 5.42 -4.246355507e-03 -4.246355507e-03 5.44 -3.671446805e-03 -3.671446805e-03 5.46 -3.174424416e-03 -3.174424416e-03 5.48 -2.744933741e-03 -2.744933741e-03 5.50 -2.373921349e-03 -2.373921349e-03 5.52 -2.053493743e-03 -2.053493743e-03 5.54 -1.776785234e-03 -1.776785234e-03 5.56 -1.537836200e-03 -1.537836200e-03 5.58 -1.331482317e-03 -1.331482317e-03 5.60 -1.153254761e-03 -1.153254761e-03 5.62 -9.992910479e-04 -9.992910479e-04 5.64 -8.662559187e-04 -8.662559187e-04 5.66 -7.512715365e-04 -7.512715365e-04 5.68 -6.518561965e-04 -6.518561965e-04 5.70 -5.658707244e-04 -5.658707244e-04 5.72 -4.914717576e-04 -4.914717576e-04 5.74 -4.270711380e-04 -4.270711380e-04 5.76 -3.713007011e-04 -3.713007011e-04 5.78 -3.229818040e-04 -3.229818040e-04 5.80 -2.810989961e-04 -2.810989961e-04 5.82 -2.447773011e-04 -2.447773011e-04 5.84 -2.132626338e-04 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