# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni-Al # implementation = 2025--Sharifi-H--Fe-Ni-Al--LAMMPS--ipr1 # composition = AlFeNi2 # 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 5.934759425e+02 5.934759425e+02 1.00 5.456764316e+02 5.456764316e+02 1.02 5.022084674e+02 5.022084674e+02 1.04 4.624211010e+02 4.624211010e+02 1.06 4.258172377e+02 4.258172377e+02 1.08 3.920151737e+02 3.920151737e+02 1.10 3.607188867e+02 3.607188867e+02 1.12 3.316953275e+02 3.316953275e+02 1.14 3.047572298e+02 3.047572298e+02 1.16 2.797502371e+02 2.797502371e+02 1.18 2.565434027e+02 2.565434027e+02 1.20 2.350222829e+02 2.350222829e+02 1.22 2.150840097e+02 2.150840097e+02 1.24 1.966338624e+02 1.966338624e+02 1.26 1.795829507e+02 1.795829507e+02 1.28 1.638467136e+02 1.638467136e+02 1.30 1.493440099e+02 1.493440099e+02 1.32 1.359966158e+02 1.359966158e+02 1.34 1.237289999e+02 1.237289999e+02 1.36 1.124682777e+02 1.124682777e+02 1.38 1.021442707e+02 1.021442707e+02 1.40 9.268961984e+01 9.268961984e+01 1.42 8.403991543e+01 8.403991543e+01 1.44 7.613382100e+01 7.613382100e+01 1.46 6.891317393e+01 6.891317393e+01 1.48 6.232305656e+01 6.232305656e+01 1.50 5.631183401e+01 5.631183401e+01 1.52 5.083115644e+01 5.083115644e+01 1.54 4.583592779e+01 4.583592779e+01 1.56 4.128424321e+01 4.128424321e+01 1.58 3.713730178e+01 3.713730178e+01 1.60 3.335929741e+01 3.335929741e+01 1.62 2.991729254e+01 2.991729254e+01 1.64 2.678107893e+01 2.678107893e+01 1.66 2.392302881e+01 2.392302881e+01 1.68 2.131794088e+01 2.131794088e+01 1.70 1.894288341e+01 1.894288341e+01 1.72 1.677703716e+01 1.677703716e+01 1.74 1.480154060e+01 1.480154060e+01 1.76 1.299931514e+01 1.299931514e+01 1.78 1.135486195e+01 1.135486195e+01 1.80 9.854114406e+00 9.854114406e+00 1.82 8.484323349e+00 8.484323349e+00 1.84 7.233953516e+00 7.233953516e+00 1.86 6.092582436e+00 6.092582436e+00 1.88 5.050806054e+00 5.050806054e+00 1.90 4.100150399e+00 4.100150399e+00 1.92 3.232988928e+00 3.232988928e+00 1.94 2.442458330e+00 2.442458330e+00 1.96 1.722323288e+00 1.722323288e+00 1.98 1.066864823e+00 1.066864823e+00 2.00 4.708326877e-01 4.708326877e-01 2.02 -7.059377490e-02 -7.059377490e-02 2.04 -5.618404195e-01 -5.618404195e-01 2.06 -1.006963379e+00 -1.006963379e+00 2.08 -1.409685569e+00 -1.409685569e+00 2.10 -1.773429204e+00 -1.773429204e+00 2.12 -2.101340584e+00 -2.101340584e+00 2.14 -2.396312793e+00 -2.396312793e+00 2.16 -2.661006484e+00 -2.661006484e+00 2.18 -2.897863082e+00 -2.897863082e+00 2.20 -3.109116303e+00 -3.109116303e+00 2.22 -3.296822155e+00 -3.296822155e+00 2.24 -3.462875212e+00 -3.462875212e+00 2.26 -3.609021550e+00 -3.609021550e+00 2.28 -3.736870600e+00 -3.736870600e+00 2.30 -3.847906037e+00 -3.847906037e+00 2.32 -3.943495806e+00 -3.943495806e+00 2.34 -4.024901306e+00 -4.024901306e+00 2.36 -4.093285849e+00 -4.093285849e+00 2.38 -4.149722433e+00 -4.149722433e+00 2.40 -4.195200875e+00 -4.195200875e+00 2.42 -4.230636140e+00 -4.230636140e+00 2.44 -4.256877538e+00 -4.256877538e+00 2.46 -4.274709018e+00 -4.274709018e+00 2.48 -4.284856291e+00 -4.284856291e+00 2.50 -4.288019808e+00 -4.288019808e+00 2.52 -4.284860695e+00 -4.284860695e+00 2.54 -4.275983973e+00 -4.275983973e+00 2.56 -4.261943005e+00 -4.261943005e+00 2.58 -4.243243853e+00 -4.243243853e+00 2.60 -4.220349275e+00 -4.220349275e+00 2.62 -4.193682387e+00 -4.193682387e+00 2.64 -4.163630015e+00 -4.163630015e+00 2.66 -4.130545777e+00 -4.130545777e+00 2.68 -4.094752891e+00 -4.094752891e+00 2.70 -4.056546763e+00 -4.056546763e+00 2.72 -4.016197345e+00 -4.016197345e+00 2.74 -3.973951300e+00 -3.973951300e+00 2.76 -3.930033989e+00 -3.930033989e+00 2.78 -3.884651276e+00 -3.884651276e+00 2.80 -3.837991201e+00 -3.837991201e+00 2.82 -3.790225491e+00 -3.790225491e+00 2.84 -3.741510956e+00 -3.741510956e+00 2.86 -3.691990761e+00 -3.691990761e+00 2.88 -3.641795595e+00 -3.641795595e+00 2.90 -3.591044729e+00 -3.591044729e+00 2.92 -3.539846999e+00 -3.539846999e+00 2.94 -3.488301692e+00 -3.488301692e+00 2.96 -3.436499365e+00 -3.436499365e+00 2.98 -3.384522588e+00 -3.384522588e+00 3.00 -3.332446624e+00 -3.332446624e+00 3.02 -3.280340057e+00 -3.280340057e+00 3.04 -3.228265354e+00 -3.228265354e+00 3.06 -3.176279392e+00 -3.176279392e+00 3.08 -3.124433927e+00 -3.124433927e+00 3.10 -3.072776032e+00 -3.072776032e+00 3.12 -3.021348492e+00 -3.021348492e+00 3.14 -2.970190165e+00 -2.970190165e+00 3.16 -2.919336315e+00 -2.919336315e+00 3.18 -2.868818912e+00 -2.868818912e+00 3.20 -2.818666907e+00 -2.818666907e+00 3.22 -2.768906488e+00 -2.768906488e+00 3.24 -2.719561304e+00 -2.719561304e+00 3.26 -2.670652678e+00 -2.670652678e+00 3.28 -2.622199799e+00 -2.622199799e+00 3.30 -2.574219896e+00 -2.574219896e+00 3.32 -2.526728398e+00 -2.526728398e+00 3.34 -2.479739079e+00 -2.479739079e+00 3.36 -2.433264192e+00 -2.433264192e+00 3.38 -2.387314593e+00 -2.387314593e+00 3.40 -2.341899847e+00 -2.341899847e+00 3.42 -2.297028335e+00 -2.297028335e+00 3.44 -2.252707343e+00 -2.252707343e+00 3.46 -2.208943150e+00 -2.208943150e+00 3.48 -2.165741104e+00 -2.165741104e+00 3.50 -2.123105693e+00 -2.123105693e+00 3.52 -2.081040612e+00 -2.081040612e+00 3.54 -2.039548821e+00 -2.039548821e+00 3.56 -1.998632600e+00 -1.998632600e+00 3.58 -1.958293601e+00 -1.958293601e+00 3.60 -1.918532893e+00 -1.918532893e+00 3.62 -1.879351002e+00 -1.879351002e+00 3.64 -1.840747955e+00 -1.840747955e+00 3.66 -1.802723313e+00 -1.802723313e+00 3.68 -1.765276203e+00 -1.765276203e+00 3.70 -1.728405352e+00 -1.728405352e+00 3.72 -1.692109112e+00 -1.692109112e+00 3.74 -1.656385490e+00 -1.656385490e+00 3.76 -1.621232166e+00 -1.621232166e+00 3.78 -1.586646523e+00 -1.586646523e+00 3.80 -1.552625663e+00 -1.552625663e+00 3.82 -1.519166426e+00 -1.519166426e+00 3.84 -1.486265413e+00 -1.486265413e+00 3.86 -1.453918997e+00 -1.453918997e+00 3.88 -1.422123343e+00 -1.422123343e+00 3.90 -1.390874422e+00 -1.390874422e+00 3.92 -1.360168022e+00 -1.360168022e+00 3.94 -1.329999765e+00 -1.329999765e+00 3.96 -1.300365118e+00 -1.300365118e+00 3.98 -1.271259403e+00 -1.271259403e+00 4.00 -1.242677809e+00 -1.242677809e+00 4.02 -1.214615404e+00 -1.214615404e+00 4.04 -1.187067141e+00 -1.187067141e+00 4.06 -1.160027872e+00 -1.160027872e+00 4.08 -1.133492352e+00 -1.133492352e+00 4.10 -1.107455251e+00 -1.107455251e+00 4.12 -1.081911160e+00 -1.081911160e+00 4.14 -1.056854599e+00 -1.056854599e+00 4.16 -1.032280025e+00 -1.032280025e+00 4.18 -1.008181839e+00 -1.008181839e+00 4.20 -9.845543884e-01 -9.845543884e-01 4.22 -9.613919811e-01 -9.613919811e-01 4.24 -9.386888848e-01 -9.386888848e-01 4.26 -9.162952808e-01 -9.162952808e-01 4.28 -8.912920098e-01 -8.912920098e-01 4.30 -8.556155776e-01 -8.556155776e-01 4.32 -8.063470952e-01 -8.063470952e-01 4.34 -7.780664353e-01 -7.780664353e-01 4.36 -7.591409034e-01 -7.591409034e-01 4.38 -7.406127818e-01 -7.406127818e-01 4.40 -7.224764036e-01 -7.224764036e-01 4.42 -7.047261180e-01 -7.047261180e-01 4.44 -6.873562936e-01 -6.873562936e-01 4.46 -6.703613215e-01 -6.703613215e-01 4.48 -6.537356183e-01 -6.537356183e-01 4.50 -6.374736291e-01 -6.374736291e-01 4.52 -6.215698300e-01 -6.215698300e-01 4.54 -6.060187309e-01 -6.060187309e-01 4.56 -5.908148776e-01 -5.908148776e-01 4.58 -5.759528547e-01 -5.759528547e-01 4.60 -5.614272875e-01 -5.614272875e-01 4.62 -5.472328442e-01 -5.472328442e-01 4.64 -5.333642379e-01 -5.333642379e-01 4.66 -5.198162286e-01 -5.198162286e-01 4.68 -5.065836251e-01 -5.065836251e-01 4.70 -4.936612863e-01 -4.936612863e-01 4.72 -4.810441236e-01 -4.810441236e-01 4.74 -4.687271015e-01 -4.687271015e-01 4.76 -4.567052398e-01 -4.567052398e-01 4.78 -4.449736148e-01 -4.449736148e-01 4.80 -4.335273601e-01 -4.335273601e-01 4.82 -4.223616684e-01 -4.223616684e-01 4.84 -4.114717924e-01 -4.114717924e-01 4.86 -4.008530456e-01 -4.008530456e-01 4.88 -3.905008036e-01 -3.905008036e-01 4.90 -3.804105046e-01 -3.804105046e-01 4.92 -3.703934455e-01 -3.703934455e-01 4.94 -3.579789226e-01 -3.579789226e-01 4.96 -3.305767520e-01 -3.305767520e-01 4.98 -2.299726768e-01 -2.299726768e-01 5.00 -4.934913754e-22 -4.936353258e-22 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