# 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 = AgAuPt2 # 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 3.783844234e+02 3.783844234e+02 1.30 3.527009830e+02 3.527009830e+02 1.32 3.287455757e+02 3.287455757e+02 1.34 3.063893036e+02 3.063893036e+02 1.36 2.855137145e+02 2.855137145e+02 1.38 2.660086127e+02 2.660086127e+02 1.40 2.477735694e+02 2.477735694e+02 1.42 2.307206704e+02 2.307206704e+02 1.44 2.147730073e+02 2.147730073e+02 1.46 1.998599531e+02 1.998599531e+02 1.48 1.859140482e+02 1.859140482e+02 1.50 1.728700267e+02 1.728700267e+02 1.52 1.606638652e+02 1.606638652e+02 1.54 1.492319568e+02 1.492319568e+02 1.56 1.385117667e+02 1.385117667e+02 1.58 1.284438547e+02 1.284438547e+02 1.60 1.189739643e+02 1.189739643e+02 1.62 1.100542493e+02 1.100542493e+02 1.64 1.016435296e+02 1.016435296e+02 1.66 9.370690349e+01 9.370690349e+01 1.68 8.621507919e+01 8.621507919e+01 1.70 7.914351997e+01 7.914351997e+01 1.72 7.247116343e+01 7.247116343e+01 1.74 6.618019733e+01 6.618019733e+01 1.76 6.026109936e+01 6.026109936e+01 1.78 5.477523594e+01 5.477523594e+01 1.80 4.973199687e+01 4.973199687e+01 1.82 4.509170674e+01 4.509170674e+01 1.84 4.081935271e+01 4.081935271e+01 1.86 3.688524758e+01 3.688524758e+01 1.88 3.326448701e+01 3.326448701e+01 1.90 2.993552820e+01 2.993552820e+01 1.92 2.687854725e+01 2.687854725e+01 1.94 2.407427513e+01 2.407427513e+01 1.96 2.150363955e+01 2.150363955e+01 1.98 1.914801846e+01 1.914801846e+01 2.00 1.698967306e+01 1.698967306e+01 2.02 1.501205703e+01 1.501205703e+01 2.04 1.319994028e+01 1.319994028e+01 2.06 1.153941338e+01 1.153941338e+01 2.08 1.001783361e+01 1.001783361e+01 2.10 8.623730433e+00 8.623730433e+00 2.12 7.346677641e+00 7.346677641e+00 2.14 6.177156875e+00 6.177156875e+00 2.16 5.106447327e+00 5.106447327e+00 2.18 4.126560178e+00 4.126560178e+00 2.20 3.230209149e+00 3.230209149e+00 2.22 2.410793427e+00 2.410793427e+00 2.24 1.662372555e+00 1.662372555e+00 2.26 9.796249072e-01 9.796249072e-01 2.28 3.577907755e-01 3.577907755e-01 2.30 -2.073953343e-01 -2.073953343e-01 2.32 -7.197786346e-01 -7.197786346e-01 2.34 -1.182860527e+00 -1.182860527e+00 2.36 -1.599874134e+00 -1.599874134e+00 2.38 -1.973854854e+00 -1.973854854e+00 2.40 -2.307701066e+00 -2.307701066e+00 2.42 -2.604219696e+00 -2.604219696e+00 2.44 -2.866152673e+00 -2.866152673e+00 2.46 -3.096184301e+00 -3.096184301e+00 2.48 -3.296935141e+00 -3.296935141e+00 2.50 -3.470951118e+00 -3.470951118e+00 2.52 -3.621957363e+00 -3.621957363e+00 2.54 -3.754001622e+00 -3.754001622e+00 2.56 -3.868560230e+00 -3.868560230e+00 2.58 -3.967072928e+00 -3.967072928e+00 2.60 -4.050933131e+00 -4.050933131e+00 2.62 -4.121437099e+00 -4.121437099e+00 2.64 -4.179746714e+00 -4.179746714e+00 2.66 -4.226870361e+00 -4.226870361e+00 2.68 -4.263661214e+00 -4.263661214e+00 2.70 -4.290829024e+00 -4.290829024e+00 2.72 -4.308960475e+00 -4.308960475e+00 2.74 -4.318543312e+00 -4.318543312e+00 2.76 -4.319990365e+00 -4.319990365e+00 2.78 -4.313661179e+00 -4.313661179e+00 2.80 -4.299887728e+00 -4.299887728e+00 2.82 -4.279031293e+00 -4.279031293e+00 2.84 -4.251366700e+00 -4.251366700e+00 2.86 -4.217173834e+00 -4.217173834e+00 2.88 -4.176779120e+00 -4.176779120e+00 2.90 -4.130574773e+00 -4.130574773e+00 2.92 -4.079036138e+00 -4.079036138e+00 2.94 -4.022731846e+00 -4.022731846e+00 2.96 -3.962321122e+00 -3.962321122e+00 2.98 -3.898534431e+00 -3.898534431e+00 3.00 -3.832137423e+00 -3.832137423e+00 3.02 -3.763881315e+00 -3.763881315e+00 3.04 -3.694512366e+00 -3.694512366e+00 3.06 -3.624637197e+00 -3.624637197e+00 3.08 -3.554666229e+00 -3.554666229e+00 3.10 -3.484894811e+00 -3.484894811e+00 3.12 -3.415510688e+00 -3.415510688e+00 3.14 -3.346611198e+00 -3.346611198e+00 3.16 -3.278224723e+00 -3.278224723e+00 3.18 -3.210332245e+00 -3.210332245e+00 3.20 -3.142886304e+00 -3.142886304e+00 3.22 -3.075826320e+00 -3.075826320e+00 3.24 -3.009091948e+00 -3.009091948e+00 3.26 -2.942632094e+00 -2.942632094e+00 3.28 -2.876406642e+00 -2.876406642e+00 3.30 -2.810389467e+00 -2.810389467e+00 3.32 -2.744570233e+00 -2.744570233e+00 3.34 -2.678988115e+00 -2.678988115e+00 3.36 -2.613776401e+00 -2.613776401e+00 3.38 -2.549071993e+00 -2.549071993e+00 3.40 -2.485000921e+00 -2.485000921e+00 3.42 -2.421679439e+00 -2.421679439e+00 3.44 -2.359214204e+00 -2.359214204e+00 3.46 -2.297701933e+00 -2.297701933e+00 3.48 -2.237228792e+00 -2.237228792e+00 3.50 -2.177869759e+00 -2.177869759e+00 3.52 -2.119688078e+00 -2.119688078e+00 3.54 -2.062734914e+00 -2.062734914e+00 3.56 -2.007049210e+00 -2.007049210e+00 3.58 -1.952657756e+00 -1.952657756e+00 3.60 -1.899575457e+00 -1.899575457e+00 3.62 -1.847805768e+00 -1.847805768e+00 3.64 -1.797341285e+00 -1.797341285e+00 3.66 -1.748164488e+00 -1.748164488e+00 3.68 -1.700248623e+00 -1.700248623e+00 3.70 -1.653558740e+00 -1.653558740e+00 3.72 -1.608052881e+00 -1.608052881e+00 3.74 -1.563683403e+00 -1.563683403e+00 3.76 -1.520398422e+00 -1.520398422e+00 3.78 -1.478143336e+00 -1.478143336e+00 3.80 -1.436862364e+00 -1.436862364e+00 3.82 -1.396500030e+00 -1.396500030e+00 3.84 -1.357002534e+00 -1.357002534e+00 3.86 -1.318318939e+00 -1.318318939e+00 3.88 -1.280402135e+00 -1.280402135e+00 3.90 -1.243209565e+00 -1.243209565e+00 3.92 -1.206703731e+00 -1.206703731e+00 3.94 -1.170852534e+00 -1.170852534e+00 3.96 -1.135629482e+00 -1.135629482e+00 3.98 -1.101013865e+00 -1.101013865e+00 4.00 -1.066990943e+00 -1.066990943e+00 4.02 -1.033552160e+00 -1.033552160e+00 4.04 -1.000695409e+00 -1.000695409e+00 4.06 -9.684252598e-01 -9.684252598e-01 4.08 -9.367530886e-01 -9.367530886e-01 4.10 -9.056969471e-01 -9.056969471e-01 4.12 -8.752810994e-01 -8.752810994e-01 4.14 -8.455350042e-01 -8.455350042e-01 4.16 -8.164918414e-01 -8.164918414e-01 4.18 -7.881865111e-01 -7.881865111e-01 4.20 -7.606532872e-01 -7.606532872e-01 4.22 -7.339233385e-01 -7.339233385e-01 4.24 -7.080223764e-01 -7.080223764e-01 4.26 -6.829686748e-01 -6.829686748e-01 4.28 -6.587716398e-01 -6.587716398e-01 4.30 -6.354310036e-01 -6.354310036e-01 4.32 -6.129366152e-01 -6.129366152e-01 4.34 -5.912687225e-01 -5.912687225e-01 4.36 -5.703986060e-01 -5.703986060e-01 4.38 -5.502894305e-01 -5.502894305e-01 4.40 -5.308972157e-01 -5.308972157e-01 4.42 -5.121718656e-01 -5.121718656e-01 4.44 -4.940582313e-01 -4.940582313e-01 4.46 -4.764972002e-01 -4.764972002e-01 4.48 -4.594268121e-01 -4.594268121e-01 4.50 -4.427833999e-01 -4.427833999e-01 4.52 -4.265027550e-01 -4.265027550e-01 4.54 -4.105213143e-01 -4.105213143e-01 4.56 -3.947773752e-01 -3.947773752e-01 4.58 -3.792123485e-01 -3.792123485e-01 4.60 -3.637720636e-01 -3.637720636e-01 4.62 -3.484081400e-01 -3.484081400e-01 4.64 -3.330794280e-01 -3.330794280e-01 4.66 -3.177535041e-01 -3.177535041e-01 4.68 -3.024081791e-01 -3.024081791e-01 4.70 -2.870329412e-01 -2.870329412e-01 4.72 -2.716302257e-01 -2.716302257e-01 4.74 -2.562163660e-01 -2.562163660e-01 4.76 -2.408220654e-01 -2.408220654e-01 4.78 -2.254922280e-01 -2.254922280e-01 4.80 -2.102850139e-01 -2.102850139e-01 4.82 -1.952700541e-01 -1.952700541e-01 4.84 -1.805258043e-01 -1.805258043e-01 4.86 -1.661361898e-01 -1.661361898e-01 4.88 -1.521867222e-01 -1.521867222e-01 4.90 -1.387603986e-01 -1.387603986e-01 4.92 -1.259337214e-01 -1.259337214e-01 4.94 -1.137731784e-01 -1.137731784e-01 4.96 -1.023324687e-01 -1.023324687e-01 4.98 -9.165066389e-02 -9.165066389e-02 5.00 -8.175138432e-02 -8.175138432e-02 5.02 -7.264295065e-02 -7.264295065e-02 5.04 -6.431937875e-02 -6.431937875e-02 5.06 -5.676202163e-02 -5.676202163e-02 5.08 -4.994163363e-02 -4.994163363e-02 5.10 -4.382063211e-02 -4.382063211e-02 5.12 -3.835539927e-02 -3.835539927e-02 5.14 -3.349841514e-02 -3.349841514e-02 5.16 -2.920015998e-02 -2.920015998e-02 5.18 -2.541072767e-02 -2.541072767e-02 5.20 -2.208134647e-02 -2.208134647e-02 5.22 -1.916601254e-02 -1.916601254e-02 5.24 -1.661951785e-02 -1.661951785e-02 5.26 -1.439966612e-02 -1.439966612e-02 5.28 -1.246760861e-02 -1.246760861e-02 5.30 -1.078887341e-02 -1.078887341e-02 5.32 -9.332381283e-03 -9.332381283e-03 5.34 -8.070244954e-03 -8.070244954e-03 5.36 -6.977617210e-03 -6.977617210e-03 5.38 -6.032489278e-03 -6.032489278e-03 5.40 -5.215462493e-03 -5.215462493e-03 5.42 -4.509509714e-03 -4.509509714e-03 5.44 -3.899737835e-03 -3.899737835e-03 5.46 -3.373158964e-03 -3.373158964e-03 5.48 -2.918475063e-03 -2.918475063e-03 5.50 -2.525878772e-03 -2.525878772e-03 5.52 -2.186871722e-03 -2.186871722e-03 5.54 -1.894100579e-03 -1.894100579e-03 5.56 -1.641210396e-03 -1.641210396e-03 5.58 -1.422714381e-03 -1.422714381e-03 5.60 -1.233878947e-03 -1.233878947e-03 5.62 -1.070622737e-03 -1.070622737e-03 5.64 -9.294283078e-04 -9.294283078e-04 5.66 -8.072651450e-04 -8.072651450e-04 5.68 -7.015227469e-04 -7.015227469e-04 5.70 -6.099526094e-04 -6.099526094e-04 5.72 -5.306180223e-04 -5.306180223e-04 5.74 -4.618506989e-04 -4.618506989e-04 5.76 -4.022133597e-04 -4.022133597e-04 5.78 -3.504674879e-04 -3.504674879e-04 5.80 -3.055455667e-04 -3.055455667e-04 5.82 -2.665271909e-04 -2.665271909e-04 5.84 -2.326185237e-04 -2.326185237e-04 5.86 -2.031346358e-04 -2.031346358e-04 5.88 -1.774843265e-04 -1.774843265e-04 5.90 -1.551570807e-04 -1.551570807e-04 5.92 -1.357118595e-04 -1.357118595e-04 5.94 -1.187674689e-04 -1.187674689e-04 5.96 -1.039942811e-04 -1.039942811e-04 5.98 -9.110711921e-05 -9.110711921e-05 6.00 -7.985913923e-05 -7.985913923e-05