# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Wu-C-Lee-B-J-Su-X--Ni-Cr-Fe # implementation = 2017--Wu-C--Ni-Cr-Fe--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 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 8.503903118e+02 8.503903118e+02 0.86 7.915716362e+02 7.915716362e+02 0.88 7.366084996e+02 7.366084996e+02 0.90 6.852574625e+02 6.852574625e+02 0.92 6.372900779e+02 6.372900779e+02 0.94 5.924919838e+02 5.924919838e+02 0.96 5.506620391e+02 5.506620391e+02 0.98 5.116115016e+02 5.116115016e+02 1.00 4.751632730e+02 4.751632730e+02 1.02 4.411511916e+02 4.411511916e+02 1.04 4.094193686e+02 4.094193686e+02 1.06 3.798215640e+02 3.798215640e+02 1.08 3.522205909e+02 3.522205909e+02 1.10 3.264877679e+02 3.264877679e+02 1.12 3.025024191e+02 3.025024191e+02 1.14 2.801513888e+02 2.801513888e+02 1.16 2.593285834e+02 2.593285834e+02 1.18 2.399345421e+02 2.399345421e+02 1.20 2.218760331e+02 2.218760331e+02 1.22 2.050656745e+02 2.050656745e+02 1.24 1.894215864e+02 1.894215864e+02 1.26 1.748670611e+02 1.748670611e+02 1.28 1.613302285e+02 1.613302285e+02 1.30 1.487437593e+02 1.487437593e+02 1.32 1.370445889e+02 1.370445889e+02 1.34 1.261736570e+02 1.261736570e+02 1.36 1.160756631e+02 1.160756631e+02 1.38 1.066988362e+02 1.066988362e+02 1.40 9.799471797e+01 9.799471797e+01 1.42 8.991795648e+01 8.991795648e+01 1.44 8.242609952e+01 8.242609952e+01 1.46 7.547943151e+01 7.547943151e+01 1.48 6.904081202e+01 6.904081202e+01 1.50 6.307551497e+01 6.307551497e+01 1.52 5.755107752e+01 5.755107752e+01 1.54 5.243715822e+01 5.243715822e+01 1.56 4.770540369e+01 4.770540369e+01 1.58 4.332932350e+01 4.332932350e+01 1.60 3.928417255e+01 3.928417255e+01 1.62 3.554684082e+01 3.554684082e+01 1.64 3.209575461e+01 3.209575461e+01 1.66 2.891079317e+01 2.891079317e+01 1.68 2.597317721e+01 2.597317721e+01 1.70 2.326537778e+01 2.326537778e+01 1.72 2.077103703e+01 2.077103703e+01 1.74 1.847489374e+01 1.847489374e+01 1.76 1.636271339e+01 1.636271339e+01 1.78 1.442122244e+01 1.442122244e+01 1.80 1.263804668e+01 1.263804668e+01 1.82 1.100165334e+01 1.100165334e+01 1.84 9.501296749e+00 9.501296749e+00 1.86 8.126967345e+00 8.126967345e+00 1.88 6.869343343e+00 6.869343343e+00 1.90 5.719732079e+00 5.719732079e+00 1.92 4.670029667e+00 4.670029667e+00 1.94 3.712699838e+00 3.712699838e+00 1.96 2.840737028e+00 2.840737028e+00 1.98 2.047630826e+00 2.047630826e+00 2.00 1.327332687e+00 1.327332687e+00 2.02 6.742248099e-01 6.742248099e-01 2.04 8.309101060e-02 8.309101060e-02 2.06 -4.509105028e-01 -4.509105028e-01 2.08 -9.322726029e-01 -9.322726029e-01 2.10 -1.365163044e+00 -1.365163044e+00 2.12 -1.753446718e+00 -1.753446718e+00 2.14 -2.100706450e+00 -2.100706450e+00 2.16 -2.410262428e+00 -2.410262428e+00 2.18 -2.685185149e+00 -2.685185149e+00 2.20 -2.928296524e+00 -2.928296524e+00 2.22 -3.142206287e+00 -3.142206287e+00 2.24 -3.329333130e+00 -3.329333130e+00 2.26 -3.491917750e+00 -3.491917750e+00 2.28 -3.632035042e+00 -3.632035042e+00 2.30 -3.751605512e+00 -3.751605512e+00 2.32 -3.852405934e+00 -3.852405934e+00 2.34 -3.936079327e+00 -3.936079327e+00 2.36 -4.004144266e+00 -4.004144266e+00 2.38 -4.058003584e+00 -4.058003584e+00 2.40 -4.098951990e+00 -4.098951990e+00 2.42 -4.128159810e+00 -4.128159810e+00 2.44 -4.146664100e+00 -4.146664100e+00 2.46 -4.155644696e+00 -4.155644696e+00 2.48 -4.156009602e+00 -4.156009602e+00 2.50 -4.148573421e+00 -4.148573421e+00 2.52 -4.134104468e+00 -4.134104468e+00 2.54 -4.113282493e+00 -4.113282493e+00 2.56 -4.086729080e+00 -4.086729080e+00 2.58 -4.055019543e+00 -4.055019543e+00 2.60 -4.018686091e+00 -4.018686091e+00 2.62 -3.978220739e+00 -3.978220739e+00 2.64 -3.934078033e+00 -3.934078033e+00 2.66 -3.886677596e+00 -3.886677596e+00 2.68 -3.836406514e+00 -3.836406514e+00 2.70 -3.783621571e+00 -3.783621571e+00 2.72 -3.728651334e+00 -3.728651334e+00 2.74 -3.671798109e+00 -3.671798109e+00 2.76 -3.613339764e+00 -3.613339764e+00 2.78 -3.553531441e+00 -3.553531441e+00 2.80 -3.492607151e+00 -3.492607151e+00 2.82 -3.430781263e+00 -3.430781263e+00 2.84 -3.368249901e+00 -3.368249901e+00 2.86 -3.305192248e+00 -3.305192248e+00 2.88 -3.241771755e+00 -3.241771755e+00 2.90 -3.178137284e+00 -3.178137284e+00 2.92 -3.114424163e+00 -3.114424163e+00 2.94 -3.050755177e+00 -3.050755177e+00 2.96 -2.987241491e+00 -2.987241491e+00 2.98 -2.923983508e+00 -2.923983508e+00 3.00 -2.861071676e+00 -2.861071676e+00 3.02 -2.798587232e+00 -2.798587232e+00 3.04 -2.736602902e+00 -2.736602902e+00 3.06 -2.675183551e+00 -2.675183551e+00 3.08 -2.614386782e+00 -2.614386782e+00 3.10 -2.554263510e+00 -2.554263510e+00 3.12 -2.494858475e+00 -2.494858475e+00 3.14 -2.436210740e+00 -2.436210740e+00 3.16 -2.378354137e+00 -2.378354137e+00 3.18 -2.321317692e+00 -2.321317692e+00 3.20 -2.265126020e+00 -2.265126020e+00 3.22 -2.209799684e+00 -2.209799684e+00 3.24 -2.155355539e+00 -2.155355539e+00 3.26 -2.101807042e+00 -2.101807042e+00 3.28 -2.049164545e+00 -2.049164545e+00 3.30 -1.997435567e+00 -1.997435567e+00 3.32 -1.946625044e+00 -1.946625044e+00 3.34 -1.896735559e+00 -1.896735559e+00 3.36 -1.847767563e+00 -1.847767563e+00 3.38 -1.799719123e+00 -1.799719123e+00 3.40 -1.749763732e+00 -1.749763732e+00 3.42 -1.672048273e+00 -1.672048273e+00 3.44 -1.517316111e+00 -1.517316111e+00 3.46 -1.310537658e+00 -1.310537658e+00 3.48 -1.264789225e+00 -1.264789225e+00 3.50 -1.230990851e+00 -1.230990851e+00 3.52 -1.197947722e+00 -1.197947722e+00 3.54 -1.165646841e+00 -1.165646841e+00 3.56 -1.134074769e+00 -1.134074769e+00 3.58 -1.103217690e+00 -1.103217690e+00 3.60 -1.073061477e+00 -1.073061477e+00 3.62 -1.043591738e+00 -1.043591738e+00 3.64 -1.014793880e+00 -1.014793880e+00 3.66 -9.866531436e-01 -9.866531436e-01 3.68 -9.591546549e-01 -9.591546549e-01 3.70 -9.322834603e-01 -9.322834603e-01 3.72 -9.060245635e-01 -9.060245635e-01 3.74 -8.803629587e-01 -8.803629587e-01 3.76 -8.552836607e-01 -8.552836607e-01 3.78 -8.307717328e-01 -8.307717328e-01 3.80 -8.068123127e-01 -8.068123127e-01 3.82 -7.833906363e-01 -7.833906363e-01 3.84 -7.604920607e-01 -7.604920607e-01 3.86 -7.381020846e-01 -7.381020846e-01 3.88 -7.162063693e-01 -7.162063693e-01 3.90 -6.947907575e-01 -6.947907575e-01 3.92 -6.721464576e-01 -6.721464576e-01 3.94 -6.271452994e-01 -6.271452994e-01 3.96 -5.078059572e-01 -5.078059572e-01 3.98 -2.609727544e-01 -2.609727544e-01 4.00 -1.403000006e-22 -1.400078050e-22 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 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