# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Al-Mn # implementation = 2025--Sharifi-H--Ni-Al-Mn--LAMMPS--ipr1 # composition = AlMn2Ni # 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 2025-07-01 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 nan nan 0.94 nan nan 0.96 nan nan 0.98 1.271451263e+03 1.271451263e+03 1.00 1.161173908e+03 1.161173908e+03 1.02 1.054583608e+03 1.054583608e+03 1.04 9.534189870e+02 9.534189870e+02 1.06 8.587191975e+02 8.587191975e+02 1.08 7.710243011e+02 7.710243011e+02 1.10 6.905166122e+02 6.905166122e+02 1.12 6.171270627e+02 6.171270627e+02 1.14 5.506149477e+02 5.506149477e+02 1.16 4.906274263e+02 4.906274263e+02 1.18 4.367435083e+02 4.367435083e+02 1.20 3.885062856e+02 3.885062856e+02 1.22 3.454462181e+02 3.454462181e+02 1.24 3.070976255e+02 3.070976255e+02 1.26 2.730100652e+02 2.730100652e+02 1.28 2.427558552e+02 2.427558552e+02 1.30 2.159347280e+02 2.159347280e+02 1.32 1.921756923e+02 1.921756923e+02 1.34 1.716095419e+02 1.716095419e+02 1.36 1.543092039e+02 1.543092039e+02 1.38 1.392712122e+02 1.392712122e+02 1.40 1.258652311e+02 1.258652311e+02 1.42 1.137202081e+02 1.137202081e+02 1.44 1.026215027e+02 1.026215027e+02 1.46 9.244451311e+01 9.244451311e+01 1.48 8.311311248e+01 8.311311248e+01 1.50 7.457464301e+01 7.457464301e+01 1.52 6.678570805e+01 6.678570805e+01 1.54 5.970480102e+01 5.970480102e+01 1.56 5.328909537e+01 5.328909537e+01 1.58 4.749364186e+01 4.749364186e+01 1.60 4.227181635e+01 4.227181635e+01 1.62 3.757631092e+01 3.757631092e+01 1.64 3.336025337e+01 3.336025337e+01 1.66 2.957822825e+01 2.957822825e+01 1.68 2.618709368e+01 2.618709368e+01 1.70 2.314654966e+01 2.314654966e+01 1.72 2.041947974e+01 2.041947974e+01 1.74 1.797211402e+01 1.797211402e+01 1.76 1.577404036e+01 1.577404036e+01 1.78 1.379812414e+01 1.379812414e+01 1.80 1.202030204e+01 1.202030204e+01 1.82 1.041931934e+01 1.041931934e+01 1.84 8.976468570e+00 8.976468570e+00 1.86 7.675293216e+00 7.675293216e+00 1.88 6.501304662e+00 6.501304662e+00 1.90 5.441726095e+00 5.441726095e+00 1.92 4.485226460e+00 4.485226460e+00 1.94 3.621724188e+00 3.621724188e+00 1.96 2.842231138e+00 2.842231138e+00 1.98 2.138716241e+00 2.138716241e+00 2.00 1.503970535e+00 1.503970535e+00 2.02 9.314995348e-01 9.314995348e-01 2.04 4.154501632e-01 4.154501632e-01 2.06 -4.944497435e-02 -4.944497435e-02 2.08 -4.679340009e-01 -4.679340009e-01 2.10 -8.443042317e-01 -8.443042317e-01 2.12 -1.182428743e+00 -1.182428743e+00 2.14 -1.485808106e+00 -1.485808106e+00 2.16 -1.757622982e+00 -1.757622982e+00 2.18 -2.000787664e+00 -2.000787664e+00 2.20 -2.217938618e+00 -2.217938618e+00 2.22 -2.411455338e+00 -2.411455338e+00 2.24 -2.583486768e+00 -2.583486768e+00 2.26 -2.735974863e+00 -2.735974863e+00 2.28 -2.870675445e+00 -2.870675445e+00 2.30 -2.989128189e+00 -2.989128189e+00 2.32 -3.092629950e+00 -3.092629950e+00 2.34 -3.182359501e+00 -3.182359501e+00 2.36 -3.259402720e+00 -3.259402720e+00 2.38 -3.324760832e+00 -3.324760832e+00 2.40 -3.379357836e+00 -3.379357836e+00 2.42 -3.424047155e+00 -3.424047155e+00 2.44 -3.459617619e+00 -3.459617619e+00 2.46 -3.486798962e+00 -3.486798962e+00 2.48 -3.506267967e+00 -3.506267967e+00 2.50 -3.518652328e+00 -3.518652328e+00 2.52 -3.524533314e+00 -3.524533314e+00 2.54 -3.524449328e+00 -3.524449328e+00 2.56 -3.518899170e+00 -3.518899170e+00 2.58 -3.508344948e+00 -3.508344948e+00 2.60 -3.493214684e+00 -3.493214684e+00 2.62 -3.473904645e+00 -3.473904645e+00 2.64 -3.450781398e+00 -3.450781398e+00 2.66 -3.424183632e+00 -3.424183632e+00 2.68 -3.394423773e+00 -3.394423773e+00 2.70 -3.361789411e+00 -3.361789411e+00 2.72 -3.326544594e+00 -3.326544594e+00 2.74 -3.288931020e+00 -3.288931020e+00 2.76 -3.249169184e+00 -3.249169184e+00 2.78 -3.207459516e+00 -3.207459516e+00 2.80 -3.163983552e+00 -3.163983552e+00 2.82 -3.118905157e+00 -3.118905157e+00 2.84 -3.072371808e+00 -3.072371808e+00 2.86 -3.024515916e+00 -3.024515916e+00 2.88 -2.975456172e+00 -2.975456172e+00 2.90 -2.925298872e+00 -2.925298872e+00 2.92 -2.874139202e+00 -2.874139202e+00 2.94 -2.822062458e+00 -2.822062458e+00 2.96 -2.769145211e+00 -2.769145211e+00 2.98 -2.715456420e+00 -2.715456420e+00 3.00 -2.661058539e+00 -2.661058539e+00 3.02 -2.606008369e+00 -2.606008369e+00 3.04 -2.550355306e+00 -2.550355306e+00 3.06 -2.494147852e+00 -2.494147852e+00 3.08 -2.437448998e+00 -2.437448998e+00 3.10 -2.380298395e+00 -2.380298395e+00 3.12 -2.322746151e+00 -2.322746151e+00 3.14 -2.264845935e+00 -2.264845935e+00 3.16 -2.206656454e+00 -2.206656454e+00 3.18 -2.148243022e+00 -2.148243022e+00 3.20 -2.089678927e+00 -2.089678927e+00 3.22 -2.031046499e+00 -2.031046499e+00 3.24 -1.972437776e+00 -1.972437776e+00 3.26 -1.913954656e+00 -1.913954656e+00 3.28 -1.855708488e+00 -1.855708488e+00 3.30 -1.797819042e+00 -1.797819042e+00 3.32 -1.740412861e+00 -1.740412861e+00 3.34 -1.683621038e+00 -1.683621038e+00 3.36 -1.627576507e+00 -1.627576507e+00 3.38 -1.572410980e+00 -1.572410980e+00 3.40 -1.518251701e+00 -1.518251701e+00 3.42 -1.465218196e+00 -1.465218196e+00 3.44 -1.413419233e+00 -1.413419233e+00 3.46 -1.362950141e+00 -1.362950141e+00 3.48 -1.313890674e+00 -1.313890674e+00 3.50 -1.266303507e+00 -1.266303507e+00 3.52 -1.220233432e+00 -1.220233432e+00 3.54 -1.175707268e+00 -1.175707268e+00 3.56 -1.132734441e+00 -1.132734441e+00 3.58 -1.091308157e+00 -1.091308157e+00 3.60 -1.051407049e+00 -1.051407049e+00 3.62 -1.012997187e+00 -1.012997187e+00 3.64 -9.760342936e-01 -9.760342936e-01 3.66 -9.404660513e-01 -9.404660513e-01 3.68 -9.062343783e-01 -9.062343783e-01 3.70 -8.732775710e-01 -8.732775710e-01 3.72 -8.415322425e-01 -8.415322425e-01 3.74 -8.109350023e-01 -8.109350023e-01 3.76 -7.814238476e-01 -7.814238476e-01 3.78 -7.529392571e-01 -7.529392571e-01 3.80 -7.254249951e-01 -7.254249951e-01 3.82 -6.988286462e-01 -6.988286462e-01 3.84 -6.731019114e-01 -6.731019114e-01 3.86 -6.482007021e-01 -6.482007021e-01 3.88 -6.240850695e-01 -6.240850695e-01 3.90 -6.007190095e-01 -6.007190095e-01 3.92 -5.780701785e-01 -5.780701785e-01 3.94 -5.561095519e-01 -5.561095519e-01 3.96 -5.348110543e-01 -5.348110543e-01 3.98 -5.141511836e-01 -5.141511836e-01 4.00 -4.941086456e-01 -4.941086456e-01 4.02 -4.746640135e-01 -4.746640135e-01 4.04 -4.557994182e-01 -4.557994182e-01 4.06 -4.374982773e-01 -4.374982773e-01 4.08 -4.197450605e-01 -4.197450605e-01 4.10 -4.025250947e-01 -4.025250947e-01 4.12 -3.858244028e-01 -3.858244028e-01 4.14 -3.696295756e-01 -3.696295756e-01 4.16 -3.539276709e-01 -3.539276709e-01 4.18 -3.387061361e-01 -3.387061361e-01 4.20 -3.239527506e-01 -3.239527506e-01 4.22 -3.096555836e-01 -3.096555836e-01 4.24 -2.958029635e-01 -2.958029635e-01 4.26 -2.821542446e-01 -2.821542446e-01 4.28 -2.639961890e-01 -2.639961890e-01 4.30 -2.251172498e-01 -2.251172498e-01 4.32 -1.349471988e-01 -1.349471988e-01 4.34 -8.387911728e-02 -8.387911728e-02 4.36 -7.606224186e-02 -7.606224186e-02 4.38 -6.853252636e-02 -6.853252636e-02 4.40 -6.128146094e-02 -6.128146094e-02 4.42 -5.430073510e-02 -5.430073510e-02 4.44 -4.758223564e-02 -4.758223564e-02 4.46 -4.111804447e-02 -4.111804447e-02 4.48 -3.490043643e-02 -3.490043643e-02 4.50 -2.892187704e-02 -2.892187704e-02 4.52 -2.317502006e-02 -2.317502006e-02 4.54 -1.765270495e-02 -1.765270495e-02 4.56 -1.234795424e-02 -1.234795424e-02 4.58 -7.253970772e-03 -7.253970772e-03 4.60 -2.364134868e-03 -2.364134868e-03 4.62 2.327998602e-03 2.327998602e-03 4.64 6.828703215e-03 6.828703215e-03 4.66 1.114408404e-02 1.114408404e-02 4.68 1.528008075e-02 1.528008075e-02 4.70 1.924247076e-02 1.924247076e-02 4.72 2.303687239e-02 2.303687239e-02 4.74 2.666874807e-02 2.666874807e-02 4.76 3.014340754e-02 3.014340754e-02 4.78 3.346601104e-02 3.346601104e-02 4.80 3.664157258e-02 3.664157258e-02 4.82 3.967496307e-02 3.967496307e-02 4.84 4.257091358e-02 4.257091358e-02 4.86 4.533401849e-02 4.533401849e-02 4.88 4.796873864e-02 4.796873864e-02 4.90 5.047940448e-02 5.047940448e-02 4.92 5.270038658e-02 5.270038658e-02 4.94 5.234669252e-02 5.234669252e-02 4.96 4.337178305e-02 4.337178305e-02 4.98 2.061936677e-02 2.061936677e-02 5.00 -2.265694864e-23 -2.285145711e-23 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 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 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