# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni-Mn # implementation = 2025--Sharifi-H--Fe-Ni-Mn--LAMMPS--ipr1 # composition = FeMn2Ni # 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 1.058252371e+03 1.058252371e+03 1.00 9.655956533e+02 9.655956533e+02 1.02 8.740121220e+02 8.740121220e+02 1.04 7.858958352e+02 7.858958352e+02 1.06 7.027848184e+02 7.027848184e+02 1.08 6.255901478e+02 6.255901478e+02 1.10 5.547630736e+02 5.547630736e+02 1.12 4.904237278e+02 4.904237278e+02 1.14 4.324597334e+02 4.324597334e+02 1.16 3.806012736e+02 3.806012736e+02 1.18 3.344776412e+02 3.344776412e+02 1.20 2.936594074e+02 2.936594074e+02 1.22 2.576893995e+02 2.576893995e+02 1.24 2.261050079e+02 2.261050079e+02 1.26 1.984538486e+02 1.984538486e+02 1.28 1.743043370e+02 1.743043370e+02 1.30 1.532524252e+02 1.532524252e+02 1.32 1.349253827e+02 1.349253827e+02 1.34 1.190408359e+02 1.190408359e+02 1.36 1.053390106e+02 1.053390106e+02 1.38 9.345823570e+01 9.345823570e+01 1.40 8.310966602e+01 8.310966602e+01 1.42 7.406163195e+01 7.406163195e+01 1.44 6.612507996e+01 6.612507996e+01 1.46 5.914334779e+01 5.914334779e+01 1.48 5.298494328e+01 5.298494328e+01 1.50 4.753839436e+01 4.753839436e+01 1.52 4.270852008e+01 4.270852008e+01 1.54 3.841366500e+01 3.841366500e+01 1.56 3.458358892e+01 3.458358892e+01 1.58 3.115781389e+01 3.115781389e+01 1.60 2.808428034e+01 2.808428034e+01 1.62 2.531822324e+01 2.531822324e+01 1.64 2.282121028e+01 2.282121028e+01 1.66 2.056030448e+01 2.056030448e+01 1.68 1.850732461e+01 1.850732461e+01 1.70 1.663814414e+01 1.663814414e+01 1.72 1.493206554e+01 1.493206554e+01 1.74 1.337132353e+01 1.337132353e+01 1.76 1.194065619e+01 1.194065619e+01 1.78 1.062694138e+01 1.062694138e+01 1.80 9.418864338e+00 9.418864338e+00 1.82 8.306629087e+00 8.306629087e+00 1.84 7.281720673e+00 7.281720673e+00 1.86 6.336703197e+00 6.336703197e+00 1.88 5.465049450e+00 5.465049450e+00 1.90 4.660995043e+00 4.660995043e+00 1.92 3.919407986e+00 3.919407986e+00 1.94 3.235670218e+00 3.235670218e+00 1.96 2.605594498e+00 2.605594498e+00 1.98 2.025363751e+00 2.025363751e+00 2.00 1.491463654e+00 1.491463654e+00 2.02 1.000634984e+00 1.000634984e+00 2.04 5.498524856e-01 5.498524856e-01 2.06 1.363069985e-01 1.363069985e-01 2.08 -2.426109881e-01 -2.426109881e-01 2.10 -5.893287431e-01 -5.893287431e-01 2.12 -9.061081368e-01 -9.061081368e-01 2.14 -1.195052219e+00 -1.195052219e+00 2.16 -1.458116684e+00 -1.458116684e+00 2.18 -1.697122256e+00 -1.697122256e+00 2.20 -1.913762622e+00 -1.913762622e+00 2.22 -2.109613327e+00 -2.109613327e+00 2.24 -2.286140568e+00 -2.286140568e+00 2.26 -2.444709214e+00 -2.444709214e+00 2.28 -2.586590223e+00 -2.586590223e+00 2.30 -2.712967448e+00 -2.712967448e+00 2.32 -2.824943885e+00 -2.824943885e+00 2.34 -2.923547449e+00 -2.923547449e+00 2.36 -3.009736280e+00 -3.009736280e+00 2.38 -3.084403622e+00 -3.084403622e+00 2.40 -3.148382349e+00 -3.148382349e+00 2.42 -3.202449107e+00 -3.202449107e+00 2.44 -3.247328155e+00 -3.247328155e+00 2.46 -3.283694983e+00 -3.283694983e+00 2.48 -3.312180877e+00 -3.312180877e+00 2.50 -3.333375394e+00 -3.333375394e+00 2.52 -3.347827846e+00 -3.347827846e+00 2.54 -3.356049856e+00 -3.356049856e+00 2.56 -3.358517751e+00 -3.358517751e+00 2.58 -3.355903179e+00 -3.355903179e+00 2.60 -3.350701580e+00 -3.350701580e+00 2.62 -3.340221960e+00 -3.340221960e+00 2.64 -3.323833230e+00 -3.323833230e+00 2.66 -3.303588131e+00 -3.303588131e+00 2.68 -3.279789254e+00 -3.279789254e+00 2.70 -3.252715396e+00 -3.252715396e+00 2.72 -3.222622680e+00 -3.222622680e+00 2.74 -3.189745604e+00 -3.189745604e+00 2.76 -3.154298055e+00 -3.154298055e+00 2.78 -3.116474319e+00 -3.116474319e+00 2.80 -3.076450125e+00 -3.076450125e+00 2.82 -3.034383757e+00 -3.034383757e+00 2.84 -2.990417258e+00 -2.990417258e+00 2.86 -2.944677755e+00 -2.944677755e+00 2.88 -2.897278926e+00 -2.897278926e+00 2.90 -2.848322637e+00 -2.848322637e+00 2.92 -2.797900775e+00 -2.797900775e+00 2.94 -2.746097301e+00 -2.746097301e+00 2.96 -2.692990562e+00 -2.692990562e+00 2.98 -2.638655874e+00 -2.638655874e+00 3.00 -2.583168382e+00 -2.583168382e+00 3.02 -2.526607196e+00 -2.526607196e+00 3.04 -2.469068797e+00 -2.469068797e+00 3.06 -2.410650134e+00 -2.410650134e+00 3.08 -2.351409655e+00 -2.351409655e+00 3.10 -2.291501188e+00 -2.291501188e+00 3.12 -2.231065469e+00 -2.231065469e+00 3.14 -2.170261525e+00 -2.170261525e+00 3.16 -2.109267142e+00 -2.109267142e+00 3.18 -2.048277181e+00 -2.048277181e+00 3.20 -1.987500252e+00 -1.987500252e+00 3.22 -1.927153807e+00 -1.927153807e+00 3.24 -1.867457886e+00 -1.867457886e+00 3.26 -1.808627935e+00 -1.808627935e+00 3.28 -1.750867274e+00 -1.750867274e+00 3.30 -1.694359842e+00 -1.694359842e+00 3.32 -1.639263869e+00 -1.639263869e+00 3.34 -1.585707017e+00 -1.585707017e+00 3.36 -1.533783362e+00 -1.533783362e+00 3.38 -1.483552403e+00 -1.483552403e+00 3.40 -1.435040049e+00 -1.435040049e+00 3.42 -1.388241333e+00 -1.388241333e+00 3.44 -1.343124514e+00 -1.343124514e+00 3.46 -1.299636062e+00 -1.299636062e+00 3.48 -1.257706095e+00 -1.257706095e+00 3.50 -1.217253800e+00 -1.217253800e+00 3.52 -1.178192487e+00 -1.178192487e+00 3.54 -1.140434007e+00 -1.140434007e+00 3.56 -1.103892366e+00 -1.103892366e+00 3.58 -1.068486463e+00 -1.068486463e+00 3.60 -1.034141968e+00 -1.034141968e+00 3.62 -1.000792403e+00 -1.000792403e+00 3.64 -9.683795489e-01 -9.683795489e-01 3.66 -9.368533038e-01 -9.368533038e-01 3.68 -9.061711496e-01 -9.061711496e-01 3.70 -8.762973499e-01 -8.762973499e-01 3.72 -8.472020076e-01 -8.472020076e-01 3.74 -8.188600788e-01 -8.188600788e-01 3.76 -7.912504179e-01 -7.912504179e-01 3.78 -7.643549074e-01 -7.643549074e-01 3.80 -7.381577011e-01 -7.381577011e-01 3.82 -7.126445953e-01 -7.126445953e-01 3.84 -6.878025259e-01 -6.878025259e-01 3.86 -6.636191834e-01 -6.636191834e-01 3.88 -6.400827278e-01 -6.400827278e-01 3.90 -6.171815891e-01 -6.171815891e-01 3.92 -5.949043324e-01 -5.949043324e-01 3.94 -5.732395739e-01 -5.732395739e-01 3.96 -5.521759326e-01 -5.521759326e-01 3.98 -5.317020074e-01 -5.317020074e-01 4.00 -5.118063703e-01 -5.118063703e-01 4.02 -4.924775712e-01 -4.924775712e-01 4.04 -4.737041472e-01 -4.737041472e-01 4.06 -4.554746363e-01 -4.554746363e-01 4.08 -4.377775923e-01 -4.377775923e-01 4.10 -4.206015992e-01 -4.206015992e-01 4.12 -4.039352862e-01 -4.039352862e-01 4.14 -3.877673412e-01 -3.877673412e-01 4.16 -3.720865237e-01 -3.720865237e-01 4.18 -3.568816768e-01 -3.568816768e-01 4.20 -3.421417381e-01 -3.421417381e-01 4.22 -3.278557495e-01 -3.278557495e-01 4.24 -3.140128666e-01 -3.140128666e-01 4.26 -3.004972383e-01 -3.004972383e-01 4.28 -2.851209404e-01 -2.851209404e-01 4.30 -2.585391473e-01 -2.585391473e-01 4.32 -1.918474731e-01 -1.918474731e-01 4.34 -1.474579321e-01 -1.474579321e-01 4.36 -1.392373884e-01 -1.392373884e-01 4.38 -1.313040230e-01 -1.313040230e-01 4.40 -1.236496308e-01 -1.236496308e-01 4.42 -1.162661823e-01 -1.162661823e-01 4.44 -1.091458236e-01 -1.091458236e-01 4.46 -1.022808753e-01 -1.022808753e-01 4.48 -9.566383146e-02 -9.566383146e-02 4.50 -8.928735879e-02 -8.928735879e-02 4.52 -8.314429483e-02 -8.314429483e-02 4.54 -7.722764657e-02 -7.722764657e-02 4.56 -7.153058864e-02 -7.153058864e-02 4.58 -6.604646140e-02 -6.604646140e-02 4.60 -6.076876898e-02 -6.076876898e-02 4.62 -5.569117708e-02 -5.569117708e-02 4.64 -5.080751075e-02 -5.080751075e-02 4.66 -4.611175207e-02 -4.611175207e-02 4.68 -4.159803773e-02 -4.159803773e-02 4.70 -3.726065655e-02 -3.726065655e-02 4.72 -3.309404695e-02 -3.309404695e-02 4.74 -2.909279436e-02 -2.909279436e-02 4.76 -2.525162861e-02 -2.525162861e-02 4.78 -2.156542126e-02 -2.156542126e-02 4.80 -1.802918291e-02 -1.802918291e-02 4.82 -1.463806051e-02 -1.463806051e-02 4.84 -1.138733464e-02 -1.138733464e-02 4.86 -8.272416785e-03 -8.272416785e-03 4.88 -5.288846639e-03 -5.288846639e-03 4.90 -2.432289345e-03 -2.432289345e-03 4.92 2.998446529e-04 2.998446529e-04 4.94 2.759622527e-03 2.759622527e-03 4.96 4.066005430e-03 4.066005430e-03 4.98 2.659510418e-03 2.659510418e-03 5.00 -6.286859112e-23 -6.594124733e-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