# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = Co2FeMn # 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 2022-05-24 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 3.920316727e+02 3.920316727e+02 0.94 3.666864835e+02 3.666864835e+02 0.96 3.428736790e+02 3.428736790e+02 0.98 3.205037837e+02 3.205037837e+02 1.00 2.994924709e+02 2.994924709e+02 1.02 2.797602644e+02 2.797602644e+02 1.04 2.612322574e+02 2.612322574e+02 1.06 2.438378490e+02 2.438378490e+02 1.08 2.275104963e+02 2.275104963e+02 1.10 2.121874811e+02 2.121874811e+02 1.12 1.978096904e+02 1.978096904e+02 1.14 1.843214100e+02 1.843214100e+02 1.16 1.716701301e+02 1.716701301e+02 1.18 1.598063623e+02 1.598063623e+02 1.20 1.486834669e+02 1.486834669e+02 1.22 1.382574911e+02 1.382574911e+02 1.24 1.284870155e+02 1.284870155e+02 1.26 1.193330101e+02 1.193330101e+02 1.28 1.107586983e+02 1.107586983e+02 1.30 1.027294288e+02 1.027294288e+02 1.32 9.521255465e+01 9.521255465e+01 1.34 8.817731962e+01 8.817731962e+01 1.36 8.159475038e+01 8.159475038e+01 1.38 7.543755529e+01 7.543755529e+01 1.40 6.968002876e+01 6.968002876e+01 1.42 6.429796102e+01 6.429796102e+01 1.44 5.926855300e+01 5.926855300e+01 1.46 5.457033603e+01 5.457033603e+01 1.48 5.018309602e+01 5.018309602e+01 1.50 4.608780198e+01 4.608780198e+01 1.52 4.226653851e+01 4.226653851e+01 1.54 3.870244212e+01 3.870244212e+01 1.56 3.537964111e+01 3.537964111e+01 1.58 3.228319886e+01 3.228319886e+01 1.60 2.939906031e+01 2.939906031e+01 1.62 2.671400142e+01 2.671400142e+01 1.64 2.421558152e+01 2.421558152e+01 1.66 2.189209828e+01 2.189209828e+01 1.68 1.973254529e+01 1.973254529e+01 1.70 1.772657198e+01 1.772657198e+01 1.72 1.586444581e+01 1.586444581e+01 1.74 1.413701663e+01 1.413701663e+01 1.76 1.253568295e+01 1.253568295e+01 1.78 1.105236025e+01 1.105236025e+01 1.80 9.679450988e+00 9.679450988e+00 1.82 8.409816327e+00 8.409816327e+00 1.84 7.236749485e+00 7.236749485e+00 1.86 6.153950562e+00 6.153950562e+00 1.88 5.155502824e+00 5.155502824e+00 1.90 4.235850321e+00 4.235850321e+00 1.92 3.389776774e+00 3.389776774e+00 1.94 2.612385675e+00 2.612385675e+00 1.96 1.899081510e+00 1.899081510e+00 1.98 1.245552063e+00 1.245552063e+00 2.00 6.477517241e-01 6.477517241e-01 2.02 1.018857559e-01 1.018857559e-01 2.04 -3.956045416e-01 -3.956045416e-01 2.06 -8.480558128e-01 -8.480558128e-01 2.08 -1.258595826e+00 -1.258595826e+00 2.10 -1.630155897e+00 -1.630155897e+00 2.12 -1.965482594e+00 -1.965482594e+00 2.14 -2.267148772e+00 -2.267148772e+00 2.16 -2.537563965e+00 -2.537563965e+00 2.18 -2.778984179e+00 -2.778984179e+00 2.20 -2.993521121e+00 -2.993521121e+00 2.22 -3.183150889e+00 -3.183150889e+00 2.24 -3.349722157e+00 -3.349722157e+00 2.26 -3.494963886e+00 -3.494963886e+00 2.28 -3.620492583e+00 -3.620492583e+00 2.30 -3.727819140e+00 -3.727819140e+00 2.32 -3.818355269e+00 -3.818355269e+00 2.34 -3.893419564e+00 -3.893419564e+00 2.36 -3.954243200e+00 -3.954243200e+00 2.38 -4.001975309e+00 -4.001975309e+00 2.40 -4.037688029e+00 -4.037688029e+00 2.42 -4.062381259e+00 -4.062381259e+00 2.44 -4.076987135e+00 -4.076987135e+00 2.46 -4.082374234e+00 -4.082374234e+00 2.48 -4.079351542e+00 -4.079351542e+00 2.50 -4.068672170e+00 -4.068672170e+00 2.52 -4.051036861e+00 -4.051036861e+00 2.54 -4.027097280e+00 -4.027097280e+00 2.56 -3.997459114e+00 -3.997459114e+00 2.58 -3.962684982e+00 -3.962684982e+00 2.60 -3.923297171e+00 -3.923297171e+00 2.62 -3.879780205e+00 -3.879780205e+00 2.64 -3.832583267e+00 -3.832583267e+00 2.66 -3.782122465e+00 -3.782122465e+00 2.68 -3.728782966e+00 -3.728782966e+00 2.70 -3.672920991e+00 -3.672920991e+00 2.72 -3.614861445e+00 -3.614861445e+00 2.74 -3.554884872e+00 -3.554884872e+00 2.76 -3.493299595e+00 -3.493299595e+00 2.78 -3.430396888e+00 -3.430396888e+00 2.80 -3.366380751e+00 -3.366380751e+00 2.82 -3.301469511e+00 -3.301469511e+00 2.84 -3.235863543e+00 -3.235863543e+00 2.86 -3.169746474e+00 -3.169746474e+00 2.88 -3.103286313e+00 -3.103286313e+00 2.90 -3.036636517e+00 -3.036636517e+00 2.92 -2.969936979e+00 -2.969936979e+00 2.94 -2.903314965e+00 -2.903314965e+00 2.96 -2.836885984e+00 -2.836885984e+00 2.98 -2.770754610e+00 -2.770754610e+00 3.00 -2.705015244e+00 -2.705015244e+00 3.02 -2.639752834e+00 -2.639752834e+00 3.04 -2.575043547e+00 -2.575043547e+00 3.06 -2.510955396e+00 -2.510955396e+00 3.08 -2.447548830e+00 -2.447548830e+00 3.10 -2.384877283e+00 -2.384877283e+00 3.12 -2.322987688e+00 -2.322987688e+00 3.14 -2.261920960e+00 -2.261920960e+00 3.16 -2.201712444e+00 -2.201712444e+00 3.18 -2.142392337e+00 -2.142392337e+00 3.20 -2.083986076e+00 -2.083986076e+00 3.22 -2.026514712e+00 -2.026514712e+00 3.24 -1.969995247e+00 -1.969995247e+00 3.26 -1.914440953e+00 -1.914440953e+00 3.28 -1.859861676e+00 -1.859861676e+00 3.30 -1.806264108e+00 -1.806264108e+00 3.32 -1.753652053e+00 -1.753652053e+00 3.34 -1.702026667e+00 -1.702026667e+00 3.36 -1.651386684e+00 -1.651386684e+00 3.38 -1.601728631e+00 -1.601728631e+00 3.40 -1.553047024e+00 -1.553047024e+00 3.42 -1.505334556e+00 -1.505334556e+00 3.44 -1.458582268e+00 -1.458582268e+00 3.46 -1.412779716e+00 -1.412779716e+00 3.48 -1.367915124e+00 -1.367915124e+00 3.50 -1.323975528e+00 -1.323975528e+00 3.52 -1.280946919e+00 -1.280946919e+00 3.54 -1.238814366e+00 -1.238814366e+00 3.56 -1.197562152e+00 -1.197562152e+00 3.58 -1.157173889e+00 -1.157173889e+00 3.60 -1.117632636e+00 -1.117632636e+00 3.62 -1.078921021e+00 -1.078921021e+00 3.64 -1.041021348e+00 -1.041021348e+00 3.66 -1.003915717e+00 -1.003915717e+00 3.68 -9.675861352e-01 -9.675861352e-01 3.70 -9.320146368e-01 -9.320146368e-01 3.72 -8.971834033e-01 -8.971834033e-01 3.74 -8.630748879e-01 -8.630748879e-01 3.76 -8.296719464e-01 -8.296719464e-01 3.78 -7.969579738e-01 -7.969579738e-01 3.80 -7.649170491e-01 -7.649170491e-01 3.82 -7.334997847e-01 -7.334997847e-01 3.84 -6.996132124e-01 -6.996132124e-01 3.86 -6.476414195e-01 -6.476414195e-01 3.88 -5.518797519e-01 -5.518797519e-01 3.90 -4.657111241e-01 -4.657111241e-01 3.92 -4.399070859e-01 -4.399070859e-01 3.94 -4.150226520e-01 -4.150226520e-01 3.96 -3.910902926e-01 -3.910902926e-01 3.98 -3.681406975e-01 -3.681406975e-01 4.00 -3.462015510e-01 -3.462015510e-01 4.02 -3.252962809e-01 -3.252962809e-01 4.04 -3.054428453e-01 -3.054428453e-01 4.06 -2.866526231e-01 -2.866526231e-01 4.08 -2.689294773e-01 -2.689294773e-01 4.10 -2.522690557e-01 -2.522690557e-01 4.12 -2.366583800e-01 -2.366583800e-01 4.14 -2.220757615e-01 -2.220757615e-01 4.16 -2.084910572e-01 -2.084910572e-01 4.18 -1.958662619e-01 -1.958662619e-01 4.20 -1.841564048e-01 -1.841564048e-01 4.22 -1.733107025e-01 -1.733107025e-01 4.24 -1.632739021e-01 -1.632739021e-01 4.26 -1.539877388e-01 -1.539877388e-01 4.28 -1.453924274e-01 -1.453924274e-01 4.30 -1.374281115e-01 -1.374281115e-01 4.32 -1.300361986e-01 -1.300361986e-01 4.34 -1.231605259e-01 -1.231605259e-01 4.36 -1.167483146e-01 -1.167483146e-01 4.38 -1.107508864e-01 -1.107508864e-01 4.40 -1.051241371e-01 -1.051241371e-01 4.42 -9.968674763e-02 -9.968674763e-02 4.44 -9.269353915e-02 -9.269353915e-02 4.46 -7.928644228e-02 -7.928644228e-02 4.48 -4.856775034e-02 -4.856775034e-02 4.50 -1.652484845e-22 -1.652431905e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 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