# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ti-Co # implementation = 2025--Sharifi-H--Fe-Ti-Co--LAMMPS--ipr1 # composition = CoFe2Ti # 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 4.976377705e+02 4.976377705e+02 1.00 4.610670809e+02 4.610670809e+02 1.02 4.255989005e+02 4.255989005e+02 1.04 3.916789316e+02 3.916789316e+02 1.06 3.595830406e+02 3.595830406e+02 1.08 3.294618376e+02 3.294618376e+02 1.10 3.013753631e+02 3.013753631e+02 1.12 2.753193201e+02 2.753193201e+02 1.14 2.512448158e+02 2.512448158e+02 1.16 2.290731353e+02 2.290731353e+02 1.18 2.087066883e+02 2.087066883e+02 1.20 1.900370530e+02 1.900370530e+02 1.22 1.729508071e+02 1.729508071e+02 1.24 1.573336825e+02 1.573336825e+02 1.26 1.430734613e+02 1.430734613e+02 1.28 1.300619293e+02 1.300619293e+02 1.30 1.181961338e+02 1.181961338e+02 1.32 1.073791281e+02 1.073791281e+02 1.34 9.752034435e+01 9.752034435e+01 1.36 8.853570252e+01 8.853570252e+01 1.38 8.034753338e+01 8.034753338e+01 1.40 7.288437592e+01 7.288437592e+01 1.42 6.608069381e+01 6.608069381e+01 1.44 5.987654479e+01 5.987654479e+01 1.46 5.421722404e+01 5.421722404e+01 1.48 4.905289755e+01 4.905289755e+01 1.50 4.433823788e+01 4.433823788e+01 1.52 4.003207154e+01 4.003207154e+01 1.54 3.609704102e+01 3.609704102e+01 1.56 3.249928554e+01 3.249928554e+01 1.58 2.920814248e+01 2.920814248e+01 1.60 2.619586895e+01 2.619586895e+01 1.62 2.343738554e+01 2.343738554e+01 1.64 2.091003881e+01 2.091003881e+01 1.66 1.859338120e+01 1.859338120e+01 1.68 1.646897103e+01 1.646897103e+01 1.70 1.452018910e+01 1.452018910e+01 1.72 1.273206623e+01 1.273206623e+01 1.74 1.109108914e+01 1.109108914e+01 1.76 9.585023659e+00 9.585023659e+00 1.78 8.202780139e+00 8.202780139e+00 1.80 6.934296073e+00 6.934296073e+00 1.82 5.770432922e+00 5.770432922e+00 1.84 4.702884939e+00 4.702884939e+00 1.86 3.724097513e+00 3.724097513e+00 1.88 2.827194137e+00 2.827194137e+00 1.90 2.005913578e+00 2.005913578e+00 1.92 1.254552412e+00 1.254552412e+00 1.94 5.679132427e-01 5.679132427e-01 1.96 -5.874235129e-02 -5.874235129e-02 1.98 -6.297580323e-01 -6.297580323e-01 2.00 -1.149164343e+00 -1.149164343e+00 2.02 -1.620712631e+00 -1.620712631e+00 2.04 -2.047894590e+00 -2.047894590e+00 2.06 -2.433960303e+00 -2.433960303e+00 2.08 -2.781933562e+00 -2.781933562e+00 2.10 -3.094617824e+00 -3.094617824e+00 2.12 -3.374619056e+00 -3.374619056e+00 2.14 -3.624364947e+00 -3.624364947e+00 2.16 -3.846121843e+00 -3.846121843e+00 2.18 -4.042117311e+00 -4.042117311e+00 2.20 -4.214514438e+00 -4.214514438e+00 2.22 -4.365300253e+00 -4.365300253e+00 2.24 -4.496296254e+00 -4.496296254e+00 2.26 -4.609172602e+00 -4.609172602e+00 2.28 -4.705461062e+00 -4.705461062e+00 2.30 -4.786566809e+00 -4.786566809e+00 2.32 -4.853783240e+00 -4.853783240e+00 2.34 -4.908320517e+00 -4.908320517e+00 2.36 -4.951295650e+00 -4.951295650e+00 2.38 -4.983731301e+00 -4.983731301e+00 2.40 -5.006563883e+00 -5.006563883e+00 2.42 -5.020650993e+00 -5.020650993e+00 2.44 -5.026778311e+00 -5.026778311e+00 2.46 -5.025674992e+00 -5.025674992e+00 2.48 -5.018023291e+00 -5.018023291e+00 2.50 -5.004447286e+00 -5.004447286e+00 2.52 -4.985516479e+00 -4.985516479e+00 2.54 -4.961750631e+00 -4.961750631e+00 2.56 -4.933624150e+00 -4.933624150e+00 2.58 -4.901570104e+00 -4.901570104e+00 2.60 -4.865983873e+00 -4.865983873e+00 2.62 -4.827226472e+00 -4.827226472e+00 2.64 -4.785627589e+00 -4.785627589e+00 2.66 -4.741488350e+00 -4.741488350e+00 2.68 -4.695083836e+00 -4.695083836e+00 2.70 -4.646665387e+00 -4.646665387e+00 2.72 -4.596462697e+00 -4.596462697e+00 2.74 -4.544685720e+00 -4.544685720e+00 2.76 -4.491526411e+00 -4.491526411e+00 2.78 -4.437160309e+00 -4.437160309e+00 2.80 -4.381747966e+00 -4.381747966e+00 2.82 -4.325436254e+00 -4.325436254e+00 2.84 -4.268359541e+00 -4.268359541e+00 2.86 -4.210640761e+00 -4.210640761e+00 2.88 -4.152392385e+00 -4.152392385e+00 2.90 -4.093717299e+00 -4.093717299e+00 2.92 -4.034709608e+00 -4.034709608e+00 2.94 -3.975455367e+00 -3.975455367e+00 2.96 -3.916033249e+00 -3.916033249e+00 2.98 -3.856515158e+00 -3.856515158e+00 3.00 -3.796966785e+00 -3.796966785e+00 3.02 -3.737448121e+00 -3.737448121e+00 3.04 -3.678013918e+00 -3.678013918e+00 3.06 -3.618714115e+00 -3.618714115e+00 3.08 -3.559594220e+00 -3.559594220e+00 3.10 -3.500695662e+00 -3.500695662e+00 3.12 -3.442056107e+00 -3.442056107e+00 3.14 -3.383709746e+00 -3.383709746e+00 3.16 -3.325687559e+00 -3.325687559e+00 3.18 -3.268017554e+00 -3.268017554e+00 3.20 -3.210724988e+00 -3.210724988e+00 3.22 -3.153832562e+00 -3.153832562e+00 3.24 -3.097360616e+00 -3.097360616e+00 3.26 -3.041327286e+00 -3.041327286e+00 3.28 -2.985748672e+00 -2.985748672e+00 3.30 -2.930638978e+00 -2.930638978e+00 3.32 -2.876010651e+00 -2.876010651e+00 3.34 -2.821874513e+00 -2.821874513e+00 3.36 -2.768239878e+00 -2.768239878e+00 3.38 -2.715114679e+00 -2.715114679e+00 3.40 -2.662505579e+00 -2.662505579e+00 3.42 -2.610418085e+00 -2.610418085e+00 3.44 -2.558856668e+00 -2.558856668e+00 3.46 -2.507824871e+00 -2.507824871e+00 3.48 -2.457325431e+00 -2.457325431e+00 3.50 -2.407360396e+00 -2.407360396e+00 3.52 -2.357931248e+00 -2.357931248e+00 3.54 -2.309039027e+00 -2.309039027e+00 3.56 -2.260684454e+00 -2.260684454e+00 3.58 -2.212868054e+00 -2.212868054e+00 3.60 -2.165590277e+00 -2.165590277e+00 3.62 -2.118851600e+00 -2.118851600e+00 3.64 -2.072652619e+00 -2.072652619e+00 3.66 -2.026994118e+00 -2.026994118e+00 3.68 -1.981877100e+00 -1.981877100e+00 3.70 -1.937302778e+00 -1.937302778e+00 3.72 -1.893272518e+00 -1.893272518e+00 3.74 -1.849787725e+00 -1.849787725e+00 3.76 -1.806849661e+00 -1.806849661e+00 3.78 -1.764459216e+00 -1.764459216e+00 3.80 -1.722616614e+00 -1.722616614e+00 3.82 -1.681321091e+00 -1.681321091e+00 3.84 -1.640570551e+00 -1.640570551e+00 3.86 -1.600361245e+00 -1.600361245e+00 3.88 -1.560687481e+00 -1.560687481e+00 3.90 -1.521541437e+00 -1.521541437e+00 3.92 -1.482913066e+00 -1.482913066e+00 3.94 -1.444790161e+00 -1.444790161e+00 3.96 -1.407158563e+00 -1.407158563e+00 3.98 -1.370002538e+00 -1.370002538e+00 4.00 -1.333305300e+00 -1.333305300e+00 4.02 -1.297049666e+00 -1.297049666e+00 4.04 -1.261218808e+00 -1.261218808e+00 4.06 -1.225797063e+00 -1.225797063e+00 4.08 -1.190770766e+00 -1.190770766e+00 4.10 -1.156129055e+00 -1.156129055e+00 4.12 -1.121864622e+00 -1.121864622e+00 4.14 -1.087974377e+00 -1.087974377e+00 4.16 -1.054459987e+00 -1.054459987e+00 4.18 -1.021328299e+00 -1.021328299e+00 4.20 -9.885916026e-01 -9.885916026e-01 4.22 -9.562677454e-01 -9.562677454e-01 4.24 -9.243800783e-01 -9.243800783e-01 4.26 -8.924927070e-01 -8.924927070e-01 4.28 -8.511953407e-01 -8.511953407e-01 4.30 -7.747810874e-01 -7.747810874e-01 4.32 -6.743577908e-01 -6.743577908e-01 4.34 -6.418335693e-01 -6.418335693e-01 4.36 -6.248230886e-01 -6.248230886e-01 4.38 -6.084362964e-01 -6.084362964e-01 4.40 -5.926149305e-01 -5.926149305e-01 4.42 -5.773056271e-01 -5.773056271e-01 4.44 -5.624608205e-01 -5.624608205e-01 4.46 -5.480391769e-01 -5.480391769e-01 4.48 -5.340056131e-01 -5.340056131e-01 4.50 -5.203309763e-01 -5.203309763e-01 4.52 -5.069914784e-01 -5.069914784e-01 4.54 -4.939679772e-01 -4.939679772e-01 4.56 -4.812451933e-01 -4.812451933e-01 4.58 -4.688109352e-01 -4.688109352e-01 4.60 -4.566553880e-01 -4.566553880e-01 4.62 -4.447704981e-01 -4.447704981e-01 4.64 -4.331494719e-01 -4.331494719e-01 4.66 -4.217863868e-01 -4.217863868e-01 4.68 -4.106759052e-01 -4.106759052e-01 4.70 -3.998130736e-01 -3.998130736e-01 4.72 -3.891931895e-01 -3.891931895e-01 4.74 -3.788117170e-01 -3.788117170e-01 4.76 -3.686642356e-01 -3.686642356e-01 4.78 -3.587464116e-01 -3.587464116e-01 4.80 -3.490539820e-01 -3.490539820e-01 4.82 -3.395827468e-01 -3.395827468e-01 4.84 -3.303285644e-01 -3.303285644e-01 4.86 -3.212873501e-01 -3.212873501e-01 4.88 -3.124550749e-01 -3.124550749e-01 4.90 -3.038277650e-01 -3.038277650e-01 4.92 -2.951698504e-01 -2.951698504e-01 4.94 -2.834859830e-01 -2.834859830e-01 4.96 -2.570107953e-01 -2.570107953e-01 4.98 -1.728900862e-01 -1.728900862e-01 5.00 -3.627992575e-22 -3.627223432e-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