# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Ti-Co # implementation = 2025--Sharifi-H--Ni-Ti-Co--LAMMPS--ipr1 # composition = Co2NiTi # 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 3.257667358e+02 3.257667358e+02 1.00 2.956865213e+02 2.956865213e+02 1.02 2.693593143e+02 2.693593143e+02 1.04 2.463774017e+02 2.463774017e+02 1.06 2.261735138e+02 2.261735138e+02 1.08 2.082808318e+02 2.082808318e+02 1.10 1.923166719e+02 1.923166719e+02 1.12 1.779684081e+02 1.779684081e+02 1.14 1.649814587e+02 1.649814587e+02 1.16 1.531490752e+02 1.531490752e+02 1.18 1.423037318e+02 1.423037318e+02 1.20 1.323098944e+02 1.323098944e+02 1.22 1.230579769e+02 1.230579769e+02 1.24 1.144593274e+02 1.144593274e+02 1.26 1.064420835e+02 1.064420835e+02 1.28 9.894776765e+01 9.894776765e+01 1.30 9.192851107e+01 9.192851107e+01 1.32 8.534479839e+01 8.534479839e+01 1.34 7.916365256e+01 7.916365256e+01 1.36 7.335718317e+01 7.335718317e+01 1.38 6.790143424e+01 6.790143424e+01 1.40 6.277547904e+01 6.277547904e+01 1.42 5.796071538e+01 5.796071538e+01 1.44 5.344032338e+01 5.344032338e+01 1.46 4.919885388e+01 4.919885388e+01 1.48 4.522192065e+01 4.522192065e+01 1.50 4.149597454e+01 4.149597454e+01 1.52 3.800814156e+01 3.800814156e+01 1.54 3.474611008e+01 3.474611008e+01 1.56 3.169805506e+01 3.169805506e+01 1.58 2.885259015e+01 2.885259015e+01 1.60 2.619873968e+01 2.619873968e+01 1.62 2.372592464e+01 2.372592464e+01 1.64 2.142395789e+01 2.142395789e+01 1.66 1.928304508e+01 1.928304508e+01 1.68 1.729378858e+01 1.729378858e+01 1.70 1.544719245e+01 1.544719245e+01 1.72 1.373466699e+01 1.373466699e+01 1.74 1.214803164e+01 1.214803164e+01 1.76 1.067949593e+01 1.067949593e+01 1.78 9.321594603e+00 9.321594603e+00 1.80 8.067159360e+00 8.067159360e+00 1.82 6.909332618e+00 6.909332618e+00 1.84 5.841582600e+00 5.841582600e+00 1.86 4.857712925e+00 4.857712925e+00 1.88 3.951867447e+00 3.951867447e+00 1.90 3.118531110e+00 3.118531110e+00 1.92 2.352527288e+00 2.352527288e+00 1.94 1.649012172e+00 1.649012172e+00 1.96 1.003466792e+00 1.003466792e+00 1.98 4.116869954e-01 4.116869954e-01 2.00 -1.302283105e-01 -1.302283105e-01 2.02 -6.258952891e-01 -6.258952891e-01 2.04 -1.078670763e+00 -1.078670763e+00 2.06 -1.491672289e+00 -1.491672289e+00 2.08 -1.867795476e+00 -1.867795476e+00 2.10 -2.209730049e+00 -2.209730049e+00 2.12 -2.519974667e+00 -2.519974667e+00 2.14 -2.800850659e+00 -2.800850659e+00 2.16 -3.054514763e+00 -3.054514763e+00 2.18 -3.282970799e+00 -3.282970799e+00 2.20 -3.488080023e+00 -3.488080023e+00 2.22 -3.671571730e+00 -3.671571730e+00 2.24 -3.835052994e+00 -3.835052994e+00 2.26 -3.980017340e+00 -3.980017340e+00 2.28 -4.107852772e+00 -4.107852772e+00 2.30 -4.219848960e+00 -4.219848960e+00 2.32 -4.317195078e+00 -4.317195078e+00 2.34 -4.400985541e+00 -4.400985541e+00 2.36 -4.472238700e+00 -4.472238700e+00 2.38 -4.531902850e+00 -4.531902850e+00 2.40 -4.580860985e+00 -4.580860985e+00 2.42 -4.619935222e+00 -4.619935222e+00 2.44 -4.649890926e+00 -4.649890926e+00 2.46 -4.671440535e+00 -4.671440535e+00 2.48 -4.685247140e+00 -4.685247140e+00 2.50 -4.691953149e+00 -4.691953149e+00 2.52 -4.692288243e+00 -4.692288243e+00 2.54 -4.686956978e+00 -4.686956978e+00 2.56 -4.676592193e+00 -4.676592193e+00 2.58 -4.661761683e+00 -4.661761683e+00 2.60 -4.642974329e+00 -4.642974329e+00 2.62 -4.620685675e+00 -4.620685675e+00 2.64 -4.595303024e+00 -4.595303024e+00 2.66 -4.567190060e+00 -4.567190060e+00 2.68 -4.536671060e+00 -4.536671060e+00 2.70 -4.504034720e+00 -4.504034720e+00 2.72 -4.469537633e+00 -4.469537633e+00 2.74 -4.433407444e+00 -4.433407444e+00 2.76 -4.395845714e+00 -4.395845714e+00 2.78 -4.357030518e+00 -4.357030518e+00 2.80 -4.317118788e+00 -4.317118788e+00 2.82 -4.276248447e+00 -4.276248447e+00 2.84 -4.234540327e+00 -4.234540327e+00 2.86 -4.192099904e+00 -4.192099904e+00 2.88 -4.149018864e+00 -4.149018864e+00 2.90 -4.105376510e+00 -4.105376510e+00 2.92 -4.061241029e+00 -4.061241029e+00 2.94 -4.016670632e+00 -4.016670632e+00 2.96 -3.971714569e+00 -3.971714569e+00 2.98 -3.926414041e+00 -3.926414041e+00 3.00 -3.880803017e+00 -3.880803017e+00 3.02 -3.834908956e+00 -3.834908956e+00 3.04 -3.788753450e+00 -3.788753450e+00 3.06 -3.742352799e+00 -3.742352799e+00 3.08 -3.695718513e+00 -3.695718513e+00 3.10 -3.648857764e+00 -3.648857764e+00 3.12 -3.601773778e+00 -3.601773778e+00 3.14 -3.554466191e+00 -3.554466191e+00 3.16 -3.506931359e+00 -3.506931359e+00 3.18 -3.459162646e+00 -3.459162646e+00 3.20 -3.411150678e+00 -3.411150678e+00 3.22 -3.362883591e+00 -3.362883591e+00 3.24 -3.314347268e+00 -3.314347268e+00 3.26 -3.265525571e+00 -3.265525571e+00 3.28 -3.216400600e+00 -3.216400600e+00 3.30 -3.166952959e+00 -3.166952959e+00 3.32 -3.117162065e+00 -3.117162065e+00 3.34 -3.067006505e+00 -3.067006505e+00 3.36 -3.016464457e+00 -3.016464457e+00 3.38 -2.965514184e+00 -2.965514184e+00 3.40 -2.914134628e+00 -2.914134628e+00 3.42 -2.862306117e+00 -2.862306117e+00 3.44 -2.810011195e+00 -2.810011195e+00 3.46 -2.757235595e+00 -2.757235595e+00 3.48 -2.703969368e+00 -2.703969368e+00 3.50 -2.650208162e+00 -2.650208162e+00 3.52 -2.595954665e+00 -2.595954665e+00 3.54 -2.541220174e+00 -2.541220174e+00 3.56 -2.486026283e+00 -2.486026283e+00 3.58 -2.430406622e+00 -2.430406622e+00 3.60 -2.374408593e+00 -2.374408593e+00 3.62 -2.318094994e+00 -2.318094994e+00 3.64 -2.261545423e+00 -2.261545423e+00 3.66 -2.204857308e+00 -2.204857308e+00 3.68 -2.148146432e+00 -2.148146432e+00 3.70 -2.091546757e+00 -2.091546757e+00 3.72 -2.035209426e+00 -2.035209426e+00 3.74 -1.979300799e+00 -1.979300799e+00 3.76 -1.923999461e+00 -1.923999461e+00 3.78 -1.869492194e+00 -1.869492194e+00 3.80 -1.815968994e+00 -1.815968994e+00 3.82 -1.763617333e+00 -1.763617333e+00 3.84 -1.712615927e+00 -1.712615927e+00 3.86 -1.663128384e+00 -1.663128384e+00 3.88 -1.615297148e+00 -1.615297148e+00 3.90 -1.569238173e+00 -1.569238173e+00 3.92 -1.525036716e+00 -1.525036716e+00 3.94 -1.482744583e+00 -1.482744583e+00 3.96 -1.442379037e+00 -1.442379037e+00 3.98 -1.403923429e+00 -1.403923429e+00 4.00 -1.367329489e+00 -1.367329489e+00 4.02 -1.332521058e+00 -1.332521058e+00 4.04 -1.299398957e+00 -1.299398957e+00 4.06 -1.267846591e+00 -1.267846591e+00 4.08 -1.237735887e+00 -1.237735887e+00 4.10 -1.208933158e+00 -1.208933158e+00 4.12 -1.181304525e+00 -1.181304525e+00 4.14 -1.154720635e+00 -1.154720635e+00 4.16 -1.129060457e+00 -1.129060457e+00 4.18 -1.104214069e+00 -1.104214069e+00 4.20 -1.080084405e+00 -1.080084405e+00 4.22 -1.056588048e+00 -1.056588048e+00 4.24 -1.033655169e+00 -1.033655169e+00 4.26 -1.011282989e+00 -1.011282989e+00 4.28 -9.905374949e-01 -9.905374949e-01 4.30 -9.744234341e-01 -9.744234341e-01 4.32 -9.635770520e-01 -9.635770520e-01 4.34 -9.455164031e-01 -9.455164031e-01 4.36 -9.247026168e-01 -9.247026168e-01 4.38 -9.042255305e-01 -9.042255305e-01 4.40 -8.840821965e-01 -8.840821965e-01 4.42 -8.642700968e-01 -8.642700968e-01 4.44 -8.447869235e-01 -8.447869235e-01 4.46 -8.256304401e-01 -8.256304401e-01 4.48 -8.067983994e-01 -8.067983994e-01 4.50 -7.882884976e-01 -7.882884976e-01 4.52 -7.700983520e-01 -7.700983520e-01 4.54 -7.522254926e-01 -7.522254926e-01 4.56 -7.346673612e-01 -7.346673612e-01 4.58 -7.174213145e-01 -7.174213145e-01 4.60 -7.004846298e-01 -7.004846298e-01 4.62 -6.838545110e-01 -6.838545110e-01 4.64 -6.675280952e-01 -6.675280952e-01 4.66 -6.515024587e-01 -6.515024587e-01 4.68 -6.357746234e-01 -6.357746234e-01 4.70 -6.203415620e-01 -6.203415620e-01 4.72 -6.052002028e-01 -6.052002028e-01 4.74 -5.903474345e-01 -5.903474345e-01 4.76 -5.757801096e-01 -5.757801096e-01 4.78 -5.614950482e-01 -5.614950482e-01 4.80 -5.474890400e-01 -5.474890400e-01 4.82 -5.337588478e-01 -5.337588478e-01 4.84 -5.203012083e-01 -5.203012083e-01 4.86 -5.071128347e-01 -5.071128347e-01 4.88 -4.941904181e-01 -4.941904181e-01 4.90 -4.815306285e-01 -4.815306285e-01 4.92 -4.678118832e-01 -4.678118832e-01 4.94 -4.366152024e-01 -4.366152024e-01 4.96 -3.485338471e-01 -3.485338471e-01 4.98 -1.703454313e-01 -1.703454313e-01 5.00 -9.510830826e-23 -9.511649649e-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 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