# 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 = Co2MnNi # 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 2.682110729e+02 2.682110729e+02 0.94 2.518662324e+02 2.518662324e+02 0.96 2.364319132e+02 2.364319132e+02 0.98 2.218591463e+02 2.218591463e+02 1.00 2.081016972e+02 2.081016972e+02 1.02 1.951158897e+02 1.951158897e+02 1.04 1.828604422e+02 1.828604422e+02 1.06 1.712963183e+02 1.712963183e+02 1.08 1.603865875e+02 1.603865875e+02 1.10 1.500962974e+02 1.500962974e+02 1.12 1.403923556e+02 1.403923556e+02 1.14 1.312434200e+02 1.312434200e+02 1.16 1.226197977e+02 1.226197977e+02 1.18 1.144933510e+02 1.144933510e+02 1.20 1.068374104e+02 1.068374104e+02 1.22 9.962669269e+01 9.962669269e+01 1.24 9.283722620e+01 9.283722620e+01 1.26 8.644627954e+01 8.644627954e+01 1.28 8.043229581e+01 8.043229581e+01 1.30 7.477483072e+01 7.477483072e+01 1.32 6.945449454e+01 6.945449454e+01 1.34 6.445289762e+01 6.445289762e+01 1.36 5.975259907e+01 5.975259907e+01 1.38 5.533705840e+01 5.533705840e+01 1.40 5.119058993e+01 5.119058993e+01 1.42 4.729831968e+01 4.729831968e+01 1.44 4.364614460e+01 4.364614460e+01 1.46 4.022069401e+01 4.022069401e+01 1.48 3.700929303e+01 3.700929303e+01 1.50 3.399992787e+01 3.399992787e+01 1.52 3.118121295e+01 3.118121295e+01 1.54 2.854235964e+01 2.854235964e+01 1.56 2.607314655e+01 2.607314655e+01 1.58 2.376389131e+01 2.376389131e+01 1.60 2.160542369e+01 2.160542369e+01 1.62 1.958906010e+01 1.958906010e+01 1.64 1.770657925e+01 1.770657925e+01 1.66 1.595019903e+01 1.595019903e+01 1.68 1.431255445e+01 1.431255445e+01 1.70 1.278667674e+01 1.278667674e+01 1.72 1.136597331e+01 1.136597331e+01 1.74 1.004420880e+01 1.004420880e+01 1.76 8.815486915e+00 8.815486915e+00 1.78 7.674233255e+00 7.674233255e+00 1.80 6.615178855e+00 6.615178855e+00 1.82 5.633344577e+00 5.633344577e+00 1.84 4.724026241e+00 4.724026241e+00 1.86 3.882780456e+00 3.882780456e+00 1.88 3.105411153e+00 3.105411153e+00 1.90 2.387956758e+00 2.387956758e+00 1.92 1.726677991e+00 1.726677991e+00 1.94 1.118046258e+00 1.118046258e+00 1.96 5.587326120e-01 5.587326120e-01 1.98 4.559725139e-02 4.559725139e-02 2.00 -4.243204633e-01 -4.243204633e-01 2.02 -8.538114997e-01 -8.538114997e-01 2.04 -1.245506177e+00 -1.245506177e+00 2.06 -1.601882739e+00 -1.601882739e+00 2.08 -1.925275496e+00 -1.925275496e+00 2.10 -2.217882567e+00 -2.217882567e+00 2.12 -2.481773228e+00 -2.481773228e+00 2.14 -2.718894886e+00 -2.718894886e+00 2.16 -2.931079711e+00 -2.931079711e+00 2.18 -3.120050918e+00 -3.120050918e+00 2.20 -3.287428738e+00 -3.287428738e+00 2.22 -3.434736077e+00 -3.434736077e+00 2.24 -3.563403892e+00 -3.563403892e+00 2.26 -3.674776280e+00 -3.674776280e+00 2.28 -3.770115309e+00 -3.770115309e+00 2.30 -3.850605600e+00 -3.850605600e+00 2.32 -3.917358664e+00 -3.917358664e+00 2.34 -3.971417016e+00 -3.971417016e+00 2.36 -4.013758072e+00 -4.013758072e+00 2.38 -4.045297840e+00 -4.045297840e+00 2.40 -4.066894419e+00 -4.066894419e+00 2.42 -4.079351302e+00 -4.079351302e+00 2.44 -4.083420519e+00 -4.083420519e+00 2.46 -4.079805596e+00 -4.079805596e+00 2.48 -4.069164365e+00 -4.069164365e+00 2.50 -4.052111620e+00 -4.052111620e+00 2.52 -4.029221625e+00 -4.029221625e+00 2.54 -4.001030497e+00 -4.001030497e+00 2.56 -3.968038445e+00 -3.968038445e+00 2.58 -3.930711899e+00 -3.930711899e+00 2.60 -3.889485513e+00 -3.889485513e+00 2.62 -3.844764063e+00 -3.844764063e+00 2.64 -3.796924242e+00 -3.796924242e+00 2.66 -3.746316346e+00 -3.746316346e+00 2.68 -3.693265879e+00 -3.693265879e+00 2.70 -3.638075058e+00 -3.638075058e+00 2.72 -3.581024238e+00 -3.581024238e+00 2.74 -3.522373262e+00 -3.522373262e+00 2.76 -3.462362716e+00 -3.462362716e+00 2.78 -3.401215132e+00 -3.401215132e+00 2.80 -3.339136131e+00 -3.339136131e+00 2.82 -3.276315468e+00 -3.276315468e+00 2.84 -3.212928045e+00 -3.212928045e+00 2.86 -3.149134850e+00 -3.149134850e+00 2.88 -3.085083854e+00 -3.085083854e+00 2.90 -3.020910848e+00 -3.020910848e+00 2.92 -2.956740231e+00 -2.956740231e+00 2.94 -2.892685759e+00 -2.892685759e+00 2.96 -2.828851243e+00 -2.828851243e+00 2.98 -2.765331208e+00 -2.765331208e+00 3.00 -2.702211513e+00 -2.702211513e+00 3.02 -2.639569937e+00 -2.639569937e+00 3.04 -2.577476726e+00 -2.577476726e+00 3.06 -2.515995107e+00 -2.515995107e+00 3.08 -2.455181777e+00 -2.455181777e+00 3.10 -2.395087355e+00 -2.395087355e+00 3.12 -2.335756812e+00 -2.335756812e+00 3.14 -2.277229871e+00 -2.277229871e+00 3.16 -2.219541383e+00 -2.219541383e+00 3.18 -2.162721686e+00 -2.162721686e+00 3.20 -2.106796931e+00 -2.106796931e+00 3.22 -2.051789396e+00 -2.051789396e+00 3.24 -1.997717778e+00 -1.997717778e+00 3.26 -1.944597465e+00 -1.944597465e+00 3.28 -1.892440793e+00 -1.892440793e+00 3.30 -1.841257286e+00 -1.841257286e+00 3.32 -1.791053881e+00 -1.791053881e+00 3.34 -1.741835134e+00 -1.741835134e+00 3.36 -1.693603422e+00 -1.693603422e+00 3.38 -1.646359122e+00 -1.646359122e+00 3.40 -1.600100786e+00 -1.600100786e+00 3.42 -1.554825297e+00 -1.554825297e+00 3.44 -1.510528022e+00 -1.510528022e+00 3.46 -1.467202950e+00 -1.467202950e+00 3.48 -1.424842823e+00 -1.424842823e+00 3.50 -1.383439254e+00 -1.383439254e+00 3.52 -1.342982843e+00 -1.342982843e+00 3.54 -1.303463282e+00 -1.303463282e+00 3.56 -1.264869449e+00 -1.264869449e+00 3.58 -1.227189503e+00 -1.227189503e+00 3.60 -1.190410966e+00 -1.190410966e+00 3.62 -1.154520799e+00 -1.154520799e+00 3.64 -1.119505481e+00 -1.119505481e+00 3.66 -1.085351068e+00 -1.085351068e+00 3.68 -1.052043263e+00 -1.052043263e+00 3.70 -1.019567465e+00 -1.019567465e+00 3.72 -9.879088294e-01 -9.879088294e-01 3.74 -9.570523142e-01 -9.570523142e-01 3.76 -9.269827234e-01 -9.269827234e-01 3.78 -8.976847508e-01 -8.976847508e-01 3.80 -8.691430170e-01 -8.691430170e-01 3.82 -8.413412521e-01 -8.413412521e-01 3.84 -8.142167071e-01 -8.142167071e-01 3.86 -7.872323806e-01 -7.872323806e-01 3.88 -7.557479356e-01 -7.557479356e-01 3.90 -7.223221281e-01 -7.223221281e-01 3.92 -6.996290207e-01 -6.996290207e-01 3.94 -6.775053435e-01 -6.775053435e-01 3.96 -6.559390225e-01 -6.559390225e-01 3.98 -6.349180817e-01 -6.349180817e-01 4.00 -6.144306564e-01 -6.144306564e-01 4.02 -5.944650054e-01 -5.944650054e-01 4.04 -5.750095210e-01 -5.750095210e-01 4.06 -5.560527394e-01 -5.560527394e-01 4.08 -5.375833489e-01 -5.375833489e-01 4.10 -5.195901978e-01 -5.195901978e-01 4.12 -5.020623011e-01 -5.020623011e-01 4.14 -4.849888461e-01 -4.849888461e-01 4.16 -4.683591985e-01 -4.683591985e-01 4.18 -4.521629062e-01 -4.521629062e-01 4.20 -4.363897032e-01 -4.363897032e-01 4.22 -4.210295132e-01 -4.210295132e-01 4.24 -4.060724523e-01 -4.060724523e-01 4.26 -3.915088305e-01 -3.915088305e-01 4.28 -3.773291544e-01 -3.773291544e-01 4.30 -3.635241276e-01 -3.635241276e-01 4.32 -3.500846519e-01 -3.500846519e-01 4.34 -3.370018279e-01 -3.370018279e-01 4.36 -3.242669547e-01 -3.242669547e-01 4.38 -3.118715300e-01 -3.118715300e-01 4.40 -2.998072495e-01 -2.998072495e-01 4.42 -2.876291101e-01 -2.876291101e-01 4.44 -2.698954049e-01 -2.698954049e-01 4.46 -2.311113094e-01 -2.311113094e-01 4.48 -1.394746875e-01 -1.394746875e-01 4.50 -2.941360929e-22 -2.942739895e-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 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0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00