# 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 = Cr2FeNi # 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 2024-11-27 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 6.373474206e+02 6.373474206e+02 0.94 5.925456549e+02 5.925456549e+02 0.96 5.507122622e+02 5.507122622e+02 0.98 5.116584870e+02 5.116584870e+02 1.00 4.752072186e+02 4.752072186e+02 1.02 4.411922840e+02 4.411922840e+02 1.04 4.094577830e+02 4.094577830e+02 1.06 3.798574654e+02 3.798574654e+02 1.08 3.522541348e+02 3.522541348e+02 1.10 3.265191004e+02 3.265191004e+02 1.12 3.025316778e+02 3.025316778e+02 1.14 2.801787029e+02 2.801787029e+02 1.16 2.593540748e+02 2.593540748e+02 1.18 2.399583252e+02 2.399583252e+02 1.20 2.218982156e+02 2.218982156e+02 1.22 2.050863575e+02 2.050863575e+02 1.24 1.894408651e+02 1.894408651e+02 1.26 1.748850249e+02 1.748850249e+02 1.28 1.613469613e+02 1.613469613e+02 1.30 1.487593401e+02 1.487593401e+02 1.32 1.370590917e+02 1.370590917e+02 1.34 1.261871514e+02 1.261871514e+02 1.36 1.160882144e+02 1.160882144e+02 1.38 1.067105056e+02 1.067105056e+02 1.40 9.800556294e+01 9.800556294e+01 1.42 8.992803095e+01 8.992803095e+01 1.44 8.243545405e+01 8.243545405e+01 1.46 7.548811350e+01 7.548811350e+01 1.48 6.904886590e+01 6.904886590e+01 1.50 6.308298235e+01 6.308298235e+01 1.52 5.755799740e+01 5.755799740e+01 1.54 5.244356713e+01 5.244356713e+01 1.56 4.771133584e+01 4.771133584e+01 1.58 4.333481089e+01 4.333481089e+01 1.60 3.928924518e+01 3.928924518e+01 1.62 3.555152673e+01 3.555152673e+01 1.64 3.210008003e+01 3.210008003e+01 1.66 2.891478265e+01 2.891478265e+01 1.68 2.597685370e+01 2.597685370e+01 1.70 2.326876273e+01 2.326876273e+01 1.72 2.077415052e+01 2.077415052e+01 1.74 1.847775451e+01 1.847775451e+01 1.76 1.636533896e+01 1.636533896e+01 1.78 1.442362917e+01 1.442362917e+01 1.80 1.264024986e+01 1.264024986e+01 1.82 1.100366725e+01 1.100366725e+01 1.84 9.503134720e+00 9.503134720e+00 1.86 8.128641816e+00 8.128641816e+00 1.88 6.870865926e+00 6.870865926e+00 1.90 5.721113613e+00 5.721113613e+00 1.92 4.671280264e+00 4.671280264e+00 1.94 3.713828930e+00 3.713828930e+00 1.96 2.841753414e+00 2.841753414e+00 1.98 2.048542709e+00 2.048542709e+00 2.00 1.328147718e+00 1.328147718e+00 2.02 6.749501191e-01 6.749501191e-01 2.04 8.373324682e-02 8.373324682e-02 2.06 -4.503451458e-01 -4.503451458e-01 2.08 -9.317783520e-01 -9.317783520e-01 2.10 -1.364734522e+00 -1.364734522e+00 2.12 -1.753078914e+00 -1.753078914e+00 2.14 -2.100394699e+00 -2.100394699e+00 2.16 -2.410002377e+00 -2.410002377e+00 2.18 -2.684972767e+00 -2.684972767e+00 2.20 -2.928128038e+00 -2.928128038e+00 2.22 -3.142078191e+00 -3.142078191e+00 2.24 -3.329242161e+00 -3.329242161e+00 2.26 -3.491860872e+00 -3.491860872e+00 2.28 -3.632009431e+00 -3.632009431e+00 2.30 -3.751608539e+00 -3.751608539e+00 2.32 -3.852435156e+00 -3.852435156e+00 2.34 -3.936132471e+00 -3.936132471e+00 2.36 -4.004219218e+00 -4.004219218e+00 2.38 -4.058098381e+00 -4.058098381e+00 2.40 -4.099065322e+00 -4.099065322e+00 2.42 -4.128315379e+00 -4.128315379e+00 2.44 -4.146950948e+00 -4.146950948e+00 2.46 -4.155988107e+00 -4.155988107e+00 2.48 -4.156362785e+00 -4.156362785e+00 2.50 -4.148934903e+00 -4.148934903e+00 2.52 -4.134472890e+00 -4.134472890e+00 2.54 -4.113656602e+00 -4.113656602e+00 2.56 -4.087107723e+00 -4.087107723e+00 2.58 -4.055401657e+00 -4.055401657e+00 2.60 -4.019070700e+00 -4.019070700e+00 2.62 -3.978606945e+00 -3.978606945e+00 2.64 -3.934465013e+00 -3.934465013e+00 2.66 -3.887064593e+00 -3.887064593e+00 2.68 -3.836792838e+00 -3.836792838e+00 2.70 -3.784006568e+00 -3.784006568e+00 2.72 -3.729025644e+00 -3.729025644e+00 2.74 -3.672104049e+00 -3.672104049e+00 2.76 -3.613576967e+00 -3.613576967e+00 2.78 -3.553768795e+00 -3.553768795e+00 2.80 -3.492844256e+00 -3.492844256e+00 2.82 -3.431017752e+00 -3.431017752e+00 2.84 -3.368485434e+00 -3.368485434e+00 2.86 -3.305426512e+00 -3.305426512e+00 2.88 -3.242004464e+00 -3.242004464e+00 2.90 -3.178368172e+00 -3.178368172e+00 2.92 -3.114652989e+00 -3.114652989e+00 2.94 -3.050981718e+00 -3.050981718e+00 2.96 -2.987465543e+00 -2.987465543e+00 2.98 -2.924204885e+00 -2.924204885e+00 3.00 -2.861290209e+00 -2.861290209e+00 3.02 -2.798802766e+00 -2.798802766e+00 3.04 -2.736815297e+00 -2.736815297e+00 3.06 -2.675392679e+00 -2.675392679e+00 3.08 -2.614592529e+00 -2.614592529e+00 3.10 -2.554465771e+00 -2.554465771e+00 3.12 -2.495057159e+00 -2.495057159e+00 3.14 -2.436405762e+00 -2.436405762e+00 3.16 -2.378545423e+00 -2.378545423e+00 3.18 -2.321505178e+00 -2.321505178e+00 3.20 -2.265309648e+00 -2.265309648e+00 3.22 -2.209979405e+00 -2.209979405e+00 3.24 -2.155531309e+00 -2.155531309e+00 3.26 -2.101978824e+00 -2.101978824e+00 3.28 -2.049332309e+00 -2.049332309e+00 3.30 -1.997599289e+00 -1.997599289e+00 3.32 -1.946784702e+00 -1.946784702e+00 3.34 -1.896891140e+00 -1.896891140e+00 3.36 -1.847919055e+00 -1.847919055e+00 3.38 -1.799866966e+00 -1.799866966e+00 3.40 -1.752731638e+00 -1.752731638e+00 3.42 -1.706508256e+00 -1.706508256e+00 3.44 -1.661190583e+00 -1.661190583e+00 3.46 -1.616771104e+00 -1.616771104e+00 3.48 -1.573241163e+00 -1.573241163e+00 3.50 -1.530591083e+00 -1.530591083e+00 3.52 -1.488810288e+00 -1.488810288e+00 3.54 -1.447887402e+00 -1.447887402e+00 3.56 -1.407810350e+00 -1.407810350e+00 3.58 -1.368566449e+00 -1.368566449e+00 3.60 -1.330142486e+00 -1.330142486e+00 3.62 -1.292524800e+00 -1.292524800e+00 3.64 -1.255699348e+00 -1.255699348e+00 3.66 -1.219651772e+00 -1.219651772e+00 3.68 -1.184367456e+00 -1.184367456e+00 3.70 -1.149831584e+00 -1.149831584e+00 3.72 -1.116029189e+00 -1.116029189e+00 3.74 -1.082945198e+00 -1.082945198e+00 3.76 -1.050564478e+00 -1.050564478e+00 3.78 -1.018871874e+00 -1.018871874e+00 3.80 -9.878522444e-01 -9.878522444e-01 3.82 -9.574476127e-01 -9.574476127e-01 3.84 -9.239559623e-01 -9.239559623e-01 3.86 -8.704470568e-01 -8.704470568e-01 3.88 -7.758227580e-01 -7.758227580e-01 3.90 -6.947907577e-01 -6.947907577e-01 3.92 -6.738412931e-01 -6.738412931e-01 3.94 -6.533442391e-01 -6.533442391e-01 3.96 -6.332860973e-01 -6.332860973e-01 3.98 -6.136536274e-01 -6.136536274e-01 4.00 -5.944338669e-01 -5.944338669e-01 4.02 -5.756141518e-01 -5.756141518e-01 4.04 -5.571821391e-01 -5.571821391e-01 4.06 -5.391258297e-01 -5.391258297e-01 4.08 -5.214335938e-01 -5.214335938e-01 4.10 -5.040941980e-01 -5.040941980e-01 4.12 -4.870968346e-01 -4.870968346e-01 4.14 -4.704311528e-01 -4.704311528e-01 4.16 -4.540872926e-01 -4.540872926e-01 4.18 -4.380559213e-01 -4.380559213e-01 4.20 -4.223282722e-01 -4.223282722e-01 4.22 -4.068961855e-01 -4.068961855e-01 4.24 -3.917521519e-01 -3.917521519e-01 4.26 -3.768893568e-01 -3.768893568e-01 4.28 -3.623017272e-01 -3.623017272e-01 4.30 -3.479839771e-01 -3.479839771e-01 4.32 -3.339316543e-01 -3.339316543e-01 4.34 -3.201411841e-01 -3.201411841e-01 4.36 -3.066099103e-01 -3.066099103e-01 4.38 -2.933361318e-01 -2.933361318e-01 4.40 -2.803191319e-01 -2.803191319e-01 4.42 -2.668411901e-01 -2.668411901e-01 4.44 -2.441520152e-01 -2.441520152e-01 4.46 -1.918839609e-01 -1.918839609e-01 4.48 -9.337651558e-02 -9.337651558e-02 4.50 -1.316080409e-22 -1.317102858e-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 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