# 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 = CrFeMn2 # 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 4.780009865e+02 4.780009865e+02 0.94 4.457244007e+02 4.457244007e+02 0.96 4.155058624e+02 4.155058624e+02 0.98 3.872189491e+02 3.872189491e+02 1.00 3.607447766e+02 3.607447766e+02 1.02 3.359715609e+02 3.359715609e+02 1.04 3.127942058e+02 3.127942058e+02 1.06 2.911139128e+02 2.911139128e+02 1.08 2.708378140e+02 2.708378140e+02 1.10 2.518786255e+02 2.518786255e+02 1.12 2.341543205e+02 2.341543205e+02 1.14 2.175878215e+02 2.175878215e+02 1.16 2.021067094e+02 2.021067094e+02 1.18 1.876429499e+02 1.876429499e+02 1.20 1.741326355e+02 1.741326355e+02 1.22 1.615157416e+02 1.615157416e+02 1.24 1.497358978e+02 1.497358978e+02 1.26 1.387401711e+02 1.387401711e+02 1.28 1.284788625e+02 1.284788625e+02 1.30 1.189053154e+02 1.189053154e+02 1.32 1.099757339e+02 1.099757339e+02 1.34 1.016490133e+02 1.016490133e+02 1.36 9.388657923e+01 9.388657923e+01 1.38 8.665223625e+01 8.665223625e+01 1.40 7.991202592e+01 7.991202592e+01 1.42 7.363409244e+01 7.363409244e+01 1.44 6.778855646e+01 6.778855646e+01 1.46 6.234739618e+01 6.234739618e+01 1.48 5.728433547e+01 5.728433547e+01 1.50 5.257473841e+01 5.257473841e+01 1.52 4.819551021e+01 4.819551021e+01 1.54 4.412500378e+01 4.412500378e+01 1.56 4.034293193e+01 4.034293193e+01 1.58 3.683028466e+01 3.683028466e+01 1.60 3.356925143e+01 3.356925143e+01 1.62 3.054314788e+01 3.054314788e+01 1.64 2.773634708e+01 2.773634708e+01 1.66 2.513421473e+01 2.513421473e+01 1.68 2.272304824e+01 2.272304824e+01 1.70 2.049001946e+01 2.049001946e+01 1.72 1.842312084e+01 1.842312084e+01 1.74 1.651111475e+01 1.651111475e+01 1.76 1.474348590e+01 1.474348590e+01 1.78 1.311039656e+01 1.311039656e+01 1.80 1.160264451e+01 1.160264451e+01 1.82 1.021162350e+01 1.021162350e+01 1.84 8.929286085e+00 8.929286085e+00 1.86 7.748108744e+00 7.748108744e+00 1.88 6.661059056e+00 6.661059056e+00 1.90 5.661564912e+00 5.661564912e+00 1.92 4.743485564e+00 4.743485564e+00 1.94 3.901084458e+00 3.901084458e+00 1.96 3.129003708e+00 3.129003708e+00 1.98 2.422240133e+00 2.422240133e+00 2.00 1.776122765e+00 1.776122765e+00 2.02 1.186291729e+00 1.186291729e+00 2.04 6.486784221e-01 6.486784221e-01 2.06 1.594869126e-01 1.594869126e-01 2.08 -2.848235118e-01 -2.848235118e-01 2.10 -6.875547231e-01 -6.875547231e-01 2.12 -1.051785114e+00 -1.051785114e+00 2.14 -1.380384005e+00 -1.380384005e+00 2.16 -1.676024996e+00 -1.676024996e+00 2.18 -1.941192114e+00 -1.941192114e+00 2.20 -2.178204374e+00 -2.178204374e+00 2.22 -2.389225967e+00 -2.389225967e+00 2.24 -2.576270774e+00 -2.576270774e+00 2.26 -2.741212284e+00 -2.741212284e+00 2.28 -2.885792877e+00 -2.885792877e+00 2.30 -3.011632507e+00 -3.011632507e+00 2.32 -3.120236839e+00 -3.120236839e+00 2.34 -3.213004863e+00 -3.213004863e+00 2.36 -3.291236017e+00 -3.291236017e+00 2.38 -3.356136854e+00 -3.356136854e+00 2.40 -3.408827283e+00 -3.408827283e+00 2.42 -3.450346407e+00 -3.450346407e+00 2.44 -3.481657973e+00 -3.481657973e+00 2.46 -3.503655487e+00 -3.503655487e+00 2.48 -3.517166982e+00 -3.517166982e+00 2.50 -3.522959482e+00 -3.522959482e+00 2.52 -3.521742846e+00 -3.521742846e+00 2.54 -3.514159886e+00 -3.514159886e+00 2.56 -3.500787848e+00 -3.500787848e+00 2.58 -3.482162307e+00 -3.482162307e+00 2.60 -3.458781289e+00 -3.458781289e+00 2.62 -3.431107658e+00 -3.431107658e+00 2.64 -3.399571358e+00 -3.399571358e+00 2.66 -3.364571520e+00 -3.364571520e+00 2.68 -3.326478435e+00 -3.326478435e+00 2.70 -3.285635417e+00 -3.285635417e+00 2.72 -3.242360543e+00 -3.242360543e+00 2.74 -3.196948288e+00 -3.196948288e+00 2.76 -3.149671067e+00 -3.149671067e+00 2.78 -3.100780675e+00 -3.100780675e+00 2.80 -3.050509638e+00 -3.050509638e+00 2.82 -2.999072487e+00 -2.999072487e+00 2.84 -2.946666947e+00 -2.946666947e+00 2.86 -2.893475054e+00 -2.893475054e+00 2.88 -2.839664208e+00 -2.839664208e+00 2.90 -2.785388149e+00 -2.785388149e+00 2.92 -2.730787885e+00 -2.730787885e+00 2.94 -2.675992552e+00 -2.675992552e+00 2.96 -2.621120228e+00 -2.621120228e+00 2.98 -2.566278686e+00 -2.566278686e+00 3.00 -2.511566110e+00 -2.511566110e+00 3.02 -2.457071761e+00 -2.457071761e+00 3.04 -2.402876597e+00 -2.402876597e+00 3.06 -2.349053862e+00 -2.349053862e+00 3.08 -2.295669629e+00 -2.295669629e+00 3.10 -2.242783315e+00 -2.242783315e+00 3.12 -2.190448156e+00 -2.190448156e+00 3.14 -2.138711663e+00 -2.138711663e+00 3.16 -2.087616031e+00 -2.087616031e+00 3.18 -2.037198540e+00 -2.037198540e+00 3.20 -1.987491914e+00 -1.987491914e+00 3.22 -1.938524672e+00 -1.938524672e+00 3.24 -1.890321438e+00 -1.890321438e+00 3.26 -1.842903250e+00 -1.842903250e+00 3.28 -1.796287831e+00 -1.796287831e+00 3.30 -1.750489855e+00 -1.750489855e+00 3.32 -1.705521189e+00 -1.705521189e+00 3.34 -1.661391116e+00 -1.661391116e+00 3.36 -1.618106553e+00 -1.618106553e+00 3.38 -1.575672244e+00 -1.575672244e+00 3.40 -1.534090944e+00 -1.534090944e+00 3.42 -1.493363591e+00 -1.493363591e+00 3.44 -1.453489468e+00 -1.453489468e+00 3.46 -1.414466345e+00 -1.414466345e+00 3.48 -1.376290625e+00 -1.376290625e+00 3.50 -1.338957464e+00 -1.338957464e+00 3.52 -1.302460897e+00 -1.302460897e+00 3.54 -1.266793946e+00 -1.266793946e+00 3.56 -1.231948721e+00 -1.231948721e+00 3.58 -1.197916520e+00 -1.197916520e+00 3.60 -1.164687913e+00 -1.164687913e+00 3.62 -1.132252826e+00 -1.132252826e+00 3.64 -1.100600617e+00 -1.100600617e+00 3.66 -1.069720145e+00 -1.069720145e+00 3.68 -1.039599835e+00 -1.039599835e+00 3.70 -1.010227739e+00 -1.010227739e+00 3.72 -9.815915921e-01 -9.815915921e-01 3.74 -9.536788596e-01 -9.536788596e-01 3.76 -9.264767874e-01 -9.264767874e-01 3.78 -8.999724441e-01 -8.999724441e-01 3.80 -8.741527605e-01 -8.741527605e-01 3.82 -8.489709911e-01 -8.489709911e-01 3.84 -8.214979483e-01 -8.214979483e-01 3.86 -7.784635543e-01 -7.784635543e-01 3.88 -7.064777653e-01 -7.064777653e-01 3.90 -6.491345191e-01 -6.491345191e-01 3.92 -6.305142097e-01 -6.305142097e-01 3.94 -6.123870463e-01 -6.123870463e-01 3.96 -5.947423547e-01 -5.947423547e-01 3.98 -5.775695293e-01 -5.775695293e-01 4.00 -5.608580463e-01 -5.608580463e-01 4.02 -5.445974754e-01 -5.445974754e-01 4.04 -5.287774903e-01 -5.287774903e-01 4.06 -5.133878779e-01 -5.133878779e-01 4.08 -4.984185469e-01 -4.984185469e-01 4.10 -4.838595352e-01 -4.838595352e-01 4.12 -4.697010163e-01 -4.697010163e-01 4.14 -4.559333050e-01 -4.559333050e-01 4.16 -4.425468626e-01 -4.425468626e-01 4.18 -4.295323011e-01 -4.295323011e-01 4.20 -4.168803864e-01 -4.168803864e-01 4.22 -4.045820421e-01 -4.045820421e-01 4.24 -3.926283513e-01 -3.926283513e-01 4.26 -3.810105589e-01 -3.810105589e-01 4.28 -3.697200729e-01 -3.697200729e-01 4.30 -3.587484659e-01 -3.587484659e-01 4.32 -3.480874752e-01 -3.480874752e-01 4.34 -3.377290034e-01 -3.377290034e-01 4.36 -3.276651187e-01 -3.276651187e-01 4.38 -3.178880540e-01 -3.178880540e-01 4.40 -3.083902068e-01 -3.083902068e-01 4.42 -2.983740456e-01 -2.983740456e-01 4.44 -2.780144675e-01 -2.780144675e-01 4.46 -2.234915329e-01 -2.234915329e-01 4.48 -1.124329793e-01 -1.124329793e-01 4.50 -8.219135960e-23 -8.221219517e-23 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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