# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Al # implementation = 2025--Sharifi-H--Cu-Ni-Al--LAMMPS--ipr1 # composition = Al2CuNi # 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 2.350111063e+02 2.350111063e+02 1.00 2.139702358e+02 2.139702358e+02 1.02 1.949267097e+02 1.949267097e+02 1.04 1.777069122e+02 1.777069122e+02 1.06 1.621427693e+02 1.621427693e+02 1.08 1.480749892e+02 1.480749892e+02 1.10 1.353549729e+02 1.353549729e+02 1.12 1.238457699e+02 1.238457699e+02 1.14 1.134223600e+02 1.134223600e+02 1.16 1.039714707e+02 1.039714707e+02 1.18 9.539108844e+01 9.539108844e+01 1.20 8.758977938e+01 8.758977938e+01 1.22 8.048590044e+01 8.048590044e+01 1.24 7.400676508e+01 7.400676508e+01 1.26 6.808780223e+01 6.808780223e+01 1.28 6.267173736e+01 6.267173736e+01 1.30 5.770781870e+01 5.770781870e+01 1.32 5.315109396e+01 5.315109396e+01 1.34 4.896174631e+01 4.896174631e+01 1.36 4.510449185e+01 4.510449185e+01 1.38 4.154803640e+01 4.154803640e+01 1.40 3.826459124e+01 3.826459124e+01 1.42 3.522944344e+01 3.522944344e+01 1.44 3.242057600e+01 3.242057600e+01 1.46 2.981832614e+01 2.981832614e+01 1.48 2.740509472e+01 2.740509472e+01 1.50 2.516510481e+01 2.516510481e+01 1.52 2.308418062e+01 2.308418062e+01 1.54 2.114955441e+01 2.114955441e+01 1.56 1.934969926e+01 1.934969926e+01 1.58 1.767418439e+01 1.767418439e+01 1.60 1.611354750e+01 1.611354750e+01 1.62 1.465917714e+01 1.465917714e+01 1.64 1.330321689e+01 1.330321689e+01 1.66 1.203848702e+01 1.203848702e+01 1.68 1.085841659e+01 1.085841659e+01 1.70 9.756984069e+00 9.756984069e+00 1.72 8.728665186e+00 8.728665186e+00 1.74 7.768387238e+00 7.768387238e+00 1.76 6.871488728e+00 6.871488728e+00 1.78 6.033686027e+00 6.033686027e+00 1.80 5.251035167e+00 5.251035167e+00 1.82 4.519905455e+00 4.519905455e+00 1.84 3.836956651e+00 3.836956651e+00 1.86 3.199115699e+00 3.199115699e+00 1.88 2.603555604e+00 2.603555604e+00 1.90 2.047676269e+00 2.047676269e+00 1.92 1.529086955e+00 1.529086955e+00 1.94 1.045588050e+00 1.045588050e+00 1.96 5.951348674e-01 5.951348674e-01 1.98 1.758025195e-01 1.758025195e-01 2.00 -2.142253608e-01 -2.142253608e-01 2.02 -5.766628199e-01 -5.766628199e-01 2.04 -9.131180666e-01 -9.131180666e-01 2.06 -1.225033520e+00 -1.225033520e+00 2.08 -1.513746189e+00 -1.513746189e+00 2.10 -1.780535056e+00 -1.780535056e+00 2.12 -2.026622745e+00 -2.026622745e+00 2.14 -2.253176932e+00 -2.253176932e+00 2.16 -2.461311851e+00 -2.461311851e+00 2.18 -2.652089859e+00 -2.652089859e+00 2.20 -2.826523055e+00 -2.826523055e+00 2.22 -2.985574930e+00 -2.985574930e+00 2.24 -3.130162041e+00 -3.130162041e+00 2.26 -3.261155690e+00 -3.261155690e+00 2.28 -3.379383607e+00 -3.379383607e+00 2.30 -3.485631614e+00 -3.485631614e+00 2.32 -3.580645288e+00 -3.580645288e+00 2.34 -3.665131586e+00 -3.665131586e+00 2.36 -3.739760449e+00 -3.739760449e+00 2.38 -3.805166373e+00 -3.805166373e+00 2.40 -3.861949947e+00 -3.861949947e+00 2.42 -3.910679343e+00 -3.910679343e+00 2.44 -3.951891781e+00 -3.951891781e+00 2.46 -3.986094959e+00 -3.986094959e+00 2.48 -4.013771981e+00 -4.013771981e+00 2.50 -4.035424898e+00 -4.035424898e+00 2.52 -4.051595142e+00 -4.051595142e+00 2.54 -4.062793076e+00 -4.062793076e+00 2.56 -4.069485426e+00 -4.069485426e+00 2.58 -4.072098790e+00 -4.072098790e+00 2.60 -4.071022876e+00 -4.071022876e+00 2.62 -4.066613477e+00 -4.066613477e+00 2.64 -4.059195235e+00 -4.059195235e+00 2.66 -4.049064187e+00 -4.049064187e+00 2.68 -4.036490112e+00 -4.036490112e+00 2.70 -4.021718704e+00 -4.021718704e+00 2.72 -4.004973573e+00 -4.004973573e+00 2.74 -3.986458092e+00 -3.986458092e+00 2.76 -3.966357097e+00 -3.966357097e+00 2.78 -3.944838459e+00 -3.944838459e+00 2.80 -3.922054529e+00 -3.922054529e+00 2.82 -3.898143471e+00 -3.898143471e+00 2.84 -3.873230486e+00 -3.873230486e+00 2.86 -3.847428942e+00 -3.847428942e+00 2.88 -3.820841410e+00 -3.820841410e+00 2.90 -3.793560622e+00 -3.793560622e+00 2.92 -3.765670345e+00 -3.765670345e+00 2.94 -3.737246187e+00 -3.737246187e+00 2.96 -3.708356340e+00 -3.708356340e+00 2.98 -3.679062253e+00 -3.679062253e+00 3.00 -3.649419257e+00 -3.649419257e+00 3.02 -3.619477138e+00 -3.619477138e+00 3.04 -3.589280653e+00 -3.589280653e+00 3.06 -3.558870015e+00 -3.558870015e+00 3.08 -3.528281324e+00 -3.528281324e+00 3.10 -3.497546971e+00 -3.497546971e+00 3.12 -3.466696000e+00 -3.466696000e+00 3.14 -3.435754440e+00 -3.435754440e+00 3.16 -3.404745613e+00 -3.404745613e+00 3.18 -3.373690405e+00 -3.373690405e+00 3.20 -3.342607522e+00 -3.342607522e+00 3.22 -3.311513712e+00 -3.311513712e+00 3.24 -3.280423981e+00 -3.280423981e+00 3.26 -3.249351774e+00 -3.249351774e+00 3.28 -3.218309149e+00 -3.218309149e+00 3.30 -3.187306930e+00 -3.187306930e+00 3.32 -3.156354847e+00 -3.156354847e+00 3.34 -3.125461660e+00 -3.125461660e+00 3.36 -3.094635274e+00 -3.094635274e+00 3.38 -3.063882840e+00 -3.063882840e+00 3.40 -3.033210844e+00 -3.033210844e+00 3.42 -3.002625194e+00 -3.002625194e+00 3.44 -2.972131288e+00 -2.972131288e+00 3.46 -2.941734082e+00 -2.941734082e+00 3.48 -2.911438145e+00 -2.911438145e+00 3.50 -2.881247715e+00 -2.881247715e+00 3.52 -2.851166741e+00 -2.851166741e+00 3.54 -2.821198922e+00 -2.821198922e+00 3.56 -2.791347748e+00 -2.791347748e+00 3.58 -2.761616523e+00 -2.761616523e+00 3.60 -2.732008399e+00 -2.732008399e+00 3.62 -2.702526394e+00 -2.702526394e+00 3.64 -2.673173414e+00 -2.673173414e+00 3.66 -2.643952271e+00 -2.643952271e+00 3.68 -2.614865697e+00 -2.614865697e+00 3.70 -2.585916355e+00 -2.585916355e+00 3.72 -2.557106850e+00 -2.557106850e+00 3.74 -2.528439737e+00 -2.528439737e+00 3.76 -2.499917530e+00 -2.499917530e+00 3.78 -2.471542702e+00 -2.471542702e+00 3.80 -2.443317695e+00 -2.443317695e+00 3.82 -2.415244919e+00 -2.415244919e+00 3.84 -2.387326754e+00 -2.387326754e+00 3.86 -2.359565554e+00 -2.359565554e+00 3.88 -2.331963644e+00 -2.331963644e+00 3.90 -2.304523323e+00 -2.304523323e+00 3.92 -2.277246859e+00 -2.277246859e+00 3.94 -2.250136493e+00 -2.250136493e+00 3.96 -2.223194432e+00 -2.223194432e+00 3.98 -2.196422852e+00 -2.196422852e+00 4.00 -2.169823894e+00 -2.169823894e+00 4.02 -2.143399661e+00 -2.143399661e+00 4.04 -2.117152216e+00 -2.117152216e+00 4.06 -2.091083583e+00 -2.091083583e+00 4.08 -2.065195737e+00 -2.065195737e+00 4.10 -2.039490611e+00 -2.039490611e+00 4.12 -2.013970085e+00 -2.013970085e+00 4.14 -1.988635990e+00 -1.988635990e+00 4.16 -1.963490101e+00 -1.963490101e+00 4.18 -1.938534141e+00 -1.938534141e+00 4.20 -1.913769769e+00 -1.913769769e+00 4.22 -1.889198589e+00 -1.889198589e+00 4.24 -1.864822141e+00 -1.864822141e+00 4.26 -1.839897936e+00 -1.839897936e+00 4.28 -1.799013145e+00 -1.799013145e+00 4.30 -1.693889312e+00 -1.693889312e+00 4.32 -1.478405136e+00 -1.478405136e+00 4.34 -1.390688905e+00 -1.390688905e+00 4.36 -1.371991373e+00 -1.371991373e+00 4.38 -1.353513794e+00 -1.353513794e+00 4.40 -1.335253931e+00 -1.335253931e+00 4.42 -1.317209577e+00 -1.317209577e+00 4.44 -1.299378546e+00 -1.299378546e+00 4.46 -1.281758680e+00 -1.281758680e+00 4.48 -1.264347843e+00 -1.264347843e+00 4.50 -1.247143923e+00 -1.247143923e+00 4.52 -1.230144831e+00 -1.230144831e+00 4.54 -1.213348500e+00 -1.213348500e+00 4.56 -1.196752886e+00 -1.196752886e+00 4.58 -1.180355965e+00 -1.180355965e+00 4.60 -1.164155735e+00 -1.164155735e+00 4.62 -1.148150213e+00 -1.148150213e+00 4.64 -1.132337436e+00 -1.132337436e+00 4.66 -1.116715461e+00 -1.116715461e+00 4.68 -1.101282364e+00 -1.101282364e+00 4.70 -1.086036236e+00 -1.086036236e+00 4.72 -1.070975189e+00 -1.070975189e+00 4.74 -1.056097351e+00 -1.056097351e+00 4.76 -1.041400866e+00 -1.041400866e+00 4.78 -1.026883896e+00 -1.026883896e+00 4.80 -1.012544616e+00 -1.012544616e+00 4.82 -9.983812200e-01 -9.983812200e-01 4.84 -9.843919144e-01 -9.843919144e-01 4.86 -9.705749214e-01 -9.705749214e-01 4.88 -9.569284777e-01 -9.569284777e-01 4.90 -9.434508336e-01 -9.434508336e-01 4.92 -9.282864263e-01 -9.282864263e-01 4.94 -8.876818183e-01 -8.876818183e-01 4.96 -7.566028149e-01 -7.566028149e-01 4.98 -4.341605253e-01 -4.341605253e-01 5.00 -5.649692356e-22 -5.650907386e-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