# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Co-Al # implementation = 2025--Sharifi-H--Ni-Co-Al--LAMMPS--ipr1 # composition = AlCoNi2 # 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 4.257015903e+02 4.257015903e+02 1.00 3.849441791e+02 3.849441791e+02 1.02 3.480946136e+02 3.480946136e+02 1.04 3.148043258e+02 3.148043258e+02 1.06 2.847465064e+02 2.847465064e+02 1.08 2.576174514e+02 2.576174514e+02 1.10 2.331369002e+02 2.331369002e+02 1.12 2.110476795e+02 2.110476795e+02 1.14 1.911148825e+02 1.911148825e+02 1.16 1.731247412e+02 1.731247412e+02 1.18 1.568833259e+02 1.568833259e+02 1.20 1.422151546e+02 1.422151546e+02 1.22 1.289617719e+02 1.289617719e+02 1.24 1.169803504e+02 1.169803504e+02 1.26 1.061423358e+02 1.061423358e+02 1.28 9.633215599e+01 9.633215599e+01 1.30 8.744601649e+01 8.744601649e+01 1.32 7.939077471e+01 7.939077471e+01 1.34 7.208289970e+01 7.208289970e+01 1.36 6.544751860e+01 6.544751860e+01 1.38 5.941754342e+01 5.941754342e+01 1.40 5.393287804e+01 5.393287804e+01 1.42 4.893969914e+01 4.893969914e+01 1.44 4.438980496e+01 4.438980496e+01 1.46 4.024002816e+01 4.024002816e+01 1.48 3.645170754e+01 3.645170754e+01 1.50 3.299021443e+01 3.299021443e+01 1.52 2.982452724e+01 2.982452724e+01 1.54 2.692684911e+01 2.692684911e+01 1.56 2.427226581e+01 2.427226581e+01 1.58 2.183844005e+01 2.183844005e+01 1.60 1.960533749e+01 1.960533749e+01 1.62 1.755498229e+01 1.755498229e+01 1.64 1.567123876e+01 1.567123876e+01 1.66 1.393961601e+01 1.393961601e+01 1.68 1.234709397e+01 1.234709397e+01 1.70 1.088196779e+01 1.088196779e+01 1.72 9.533708488e+00 9.533708488e+00 1.74 8.292834677e+00 8.292834677e+00 1.76 7.150776135e+00 7.150776135e+00 1.78 6.099726342e+00 6.099726342e+00 1.80 5.132549135e+00 5.132549135e+00 1.82 4.242711417e+00 4.242711417e+00 1.84 3.424232885e+00 3.424232885e+00 1.86 2.671638581e+00 2.671638581e+00 1.88 1.979915810e+00 1.979915810e+00 1.90 1.344475105e+00 1.344475105e+00 1.92 7.611146672e-01 7.611146672e-01 1.94 2.259858066e-01 2.259858066e-01 1.96 -2.644563107e-01 -2.644563107e-01 1.98 -7.134944650e-01 -7.134944650e-01 2.00 -1.124170461e+00 -1.124170461e+00 2.02 -1.499303098e+00 -1.499303098e+00 2.04 -1.841503728e+00 -1.841503728e+00 2.06 -2.153183897e+00 -2.153183897e+00 2.08 -2.436576042e+00 -2.436576042e+00 2.10 -2.693751628e+00 -2.693751628e+00 2.12 -2.926632924e+00 -2.926632924e+00 2.14 -3.137003874e+00 -3.137003874e+00 2.16 -3.326520175e+00 -3.326520175e+00 2.18 -3.496717877e+00 -3.496717877e+00 2.20 -3.649021305e+00 -3.649021305e+00 2.22 -3.784752762e+00 -3.784752762e+00 2.24 -3.905141755e+00 -3.905141755e+00 2.26 -4.011337096e+00 -4.011337096e+00 2.28 -4.104406706e+00 -4.104406706e+00 2.30 -4.185341022e+00 -4.185341022e+00 2.32 -4.255049566e+00 -4.255049566e+00 2.34 -4.314365494e+00 -4.314365494e+00 2.36 -4.364063180e+00 -4.364063180e+00 2.38 -4.404863185e+00 -4.404863185e+00 2.40 -4.437436038e+00 -4.437436038e+00 2.42 -4.462405754e+00 -4.462405754e+00 2.44 -4.480353099e+00 -4.480353099e+00 2.46 -4.491818618e+00 -4.491818618e+00 2.48 -4.497308493e+00 -4.497308493e+00 2.50 -4.497325258e+00 -4.497325258e+00 2.52 -4.492351698e+00 -4.492351698e+00 2.54 -4.482832216e+00 -4.482832216e+00 2.56 -4.469175600e+00 -4.469175600e+00 2.58 -4.451757854e+00 -4.451757854e+00 2.60 -4.430924819e+00 -4.430924819e+00 2.62 -4.406994577e+00 -4.406994577e+00 2.64 -4.380259677e+00 -4.380259677e+00 2.66 -4.350989181e+00 -4.350989181e+00 2.68 -4.319430549e+00 -4.319430549e+00 2.70 -4.285811377e+00 -4.285811377e+00 2.72 -4.250340997e+00 -4.250340997e+00 2.74 -4.213211951e+00 -4.213211951e+00 2.76 -4.174601351e+00 -4.174601351e+00 2.78 -4.134672121e+00 -4.134672121e+00 2.80 -4.093574156e+00 -4.093574156e+00 2.82 -4.051445373e+00 -4.051445373e+00 2.84 -4.008412686e+00 -4.008412686e+00 2.86 -3.964592904e+00 -3.964592904e+00 2.88 -3.920093554e+00 -3.920093554e+00 2.90 -3.875013633e+00 -3.875013633e+00 2.92 -3.829444312e+00 -3.829444312e+00 2.94 -3.783469569e+00 -3.783469569e+00 2.96 -3.737166779e+00 -3.737166779e+00 2.98 -3.690607255e+00 -3.690607255e+00 3.00 -3.643856742e+00 -3.643856742e+00 3.02 -3.596975869e+00 -3.596975869e+00 3.04 -3.550020574e+00 -3.550020574e+00 3.06 -3.503042476e+00 -3.503042476e+00 3.08 -3.456089234e+00 -3.456089234e+00 3.10 -3.409204865e+00 -3.409204865e+00 3.12 -3.362430036e+00 -3.362430036e+00 3.14 -3.315802333e+00 -3.315802333e+00 3.16 -3.269356509e+00 -3.269356509e+00 3.18 -3.223124703e+00 -3.223124703e+00 3.20 -3.177136648e+00 -3.177136648e+00 3.22 -3.131419856e+00 -3.131419856e+00 3.24 -3.085999785e+00 -3.085999785e+00 3.26 -3.040899997e+00 -3.040899997e+00 3.28 -2.996142294e+00 -2.996142294e+00 3.30 -2.951746849e+00 -2.951746849e+00 3.32 -2.907732319e+00 -2.907732319e+00 3.34 -2.864115955e+00 -2.864115955e+00 3.36 -2.820913689e+00 -2.820913689e+00 3.38 -2.778140230e+00 -2.778140230e+00 3.40 -2.735809135e+00 -2.735809135e+00 3.42 -2.693932882e+00 -2.693932882e+00 3.44 -2.652522933e+00 -2.652522933e+00 3.46 -2.611589792e+00 -2.611589792e+00 3.48 -2.571143055e+00 -2.571143055e+00 3.50 -2.531191452e+00 -2.531191452e+00 3.52 -2.491742893e+00 -2.491742893e+00 3.54 -2.452804498e+00 -2.452804498e+00 3.56 -2.414382628e+00 -2.414382628e+00 3.58 -2.376482914e+00 -2.376482914e+00 3.60 -2.339110280e+00 -2.339110280e+00 3.62 -2.302268957e+00 -2.302268957e+00 3.64 -2.265962508e+00 -2.265962508e+00 3.66 -2.230193834e+00 -2.230193834e+00 3.68 -2.194965189e+00 -2.194965189e+00 3.70 -2.160278191e+00 -2.160278191e+00 3.72 -2.126133825e+00 -2.126133825e+00 3.74 -2.092532455e+00 -2.092532455e+00 3.76 -2.059473824e+00 -2.059473824e+00 3.78 -2.026957061e+00 -2.026957061e+00 3.80 -1.994980688e+00 -1.994980688e+00 3.82 -1.963542617e+00 -1.963542617e+00 3.84 -1.932640160e+00 -1.932640160e+00 3.86 -1.902270032e+00 -1.902270032e+00 3.88 -1.872428357e+00 -1.872428357e+00 3.90 -1.843110673e+00 -1.843110673e+00 3.92 -1.814311941e+00 -1.814311941e+00 3.94 -1.786026557e+00 -1.786026557e+00 3.96 -1.758248358e+00 -1.758248358e+00 3.98 -1.730970641e+00 -1.730970641e+00 4.00 -1.704186176e+00 -1.704186176e+00 4.02 -1.677887222e+00 -1.677887222e+00 4.04 -1.652065551e+00 -1.652065551e+00 4.06 -1.626712464e+00 -1.626712464e+00 4.08 -1.601818821e+00 -1.601818821e+00 4.10 -1.577375063e+00 -1.577375063e+00 4.12 -1.553371240e+00 -1.553371240e+00 4.14 -1.529797043e+00 -1.529797043e+00 4.16 -1.506641833e+00 -1.506641833e+00 4.18 -1.483894674e+00 -1.483894674e+00 4.20 -1.461544372e+00 -1.461544372e+00 4.22 -1.439579506e+00 -1.439579506e+00 4.24 -1.417988474e+00 -1.417988474e+00 4.26 -1.396606907e+00 -1.396606907e+00 4.28 -1.372307242e+00 -1.372307242e+00 4.30 -1.335887048e+00 -1.335887048e+00 4.32 -1.281012378e+00 -1.281012378e+00 4.34 -1.250317573e+00 -1.250317573e+00 4.36 -1.231843990e+00 -1.231843990e+00 4.38 -1.213643526e+00 -1.213643526e+00 4.40 -1.195705296e+00 -1.195705296e+00 4.42 -1.178018777e+00 -1.178018777e+00 4.44 -1.160573881e+00 -1.160573881e+00 4.46 -1.143361041e+00 -1.143361041e+00 4.48 -1.126371275e+00 -1.126371275e+00 4.50 -1.109596262e+00 -1.109596262e+00 4.52 -1.093028399e+00 -1.093028399e+00 4.54 -1.076660858e+00 -1.076660858e+00 4.56 -1.060487620e+00 -1.060487620e+00 4.58 -1.044503502e+00 -1.044503502e+00 4.60 -1.028704167e+00 -1.028704167e+00 4.62 -1.013086113e+00 -1.013086113e+00 4.64 -9.976466498e-01 -9.976466498e-01 4.66 -9.823838566e-01 -9.823838566e-01 4.68 -9.672965253e-01 -9.672965253e-01 4.70 -9.523840907e-01 -9.523840907e-01 4.72 -9.376465504e-01 -9.376465504e-01 4.74 -9.230843763e-01 -9.230843763e-01 4.76 -9.086984221e-01 -9.086984221e-01 4.78 -8.944898290e-01 -8.944898290e-01 4.80 -8.804599328e-01 -8.804599328e-01 4.82 -8.666101752e-01 -8.666101752e-01 4.84 -8.529420217e-01 -8.529420217e-01 4.86 -8.394568879e-01 -8.394568879e-01 4.88 -8.261560758e-01 -8.261560758e-01 4.90 -8.130407202e-01 -8.130407202e-01 4.92 -7.989559033e-01 -7.989559033e-01 4.94 -7.688767296e-01 -7.688767296e-01 4.96 -6.765900240e-01 -6.765900240e-01 4.98 -4.198694942e-01 -4.198694942e-01 5.00 -3.664062108e-22 -3.661258703e-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