# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Cr-Al # implementation = 2025--Sharifi-H--Cu-Cr-Al--LAMMPS--ipr1 # composition = AlCr2Cu # 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 2.148160196e+02 2.148160196e+02 1.00 2.008097641e+02 2.008097641e+02 1.02 1.877398510e+02 1.877398510e+02 1.04 1.755225290e+02 1.755225290e+02 1.06 1.640884622e+02 1.640884622e+02 1.08 1.533790109e+02 1.533790109e+02 1.10 1.433270586e+02 1.433270586e+02 1.12 1.338329055e+02 1.338329055e+02 1.14 1.248947714e+02 1.248947714e+02 1.16 1.165083057e+02 1.165083057e+02 1.18 1.086582424e+02 1.086582424e+02 1.20 1.013221456e+02 1.013221456e+02 1.22 9.447321903e+01 9.447321903e+01 1.24 8.808236993e+01 8.808236993e+01 1.26 8.211970295e+01 8.211970295e+01 1.28 7.655558952e+01 7.655558952e+01 1.30 7.136138577e+01 7.136138577e+01 1.32 6.650989103e+01 6.650989103e+01 1.34 6.197561918e+01 6.197561918e+01 1.36 5.773494210e+01 5.773494210e+01 1.38 5.376610532e+01 5.376610532e+01 1.40 5.004917760e+01 5.004917760e+01 1.42 4.656596505e+01 4.656596505e+01 1.44 4.329990781e+01 4.329990781e+01 1.46 4.023593561e+01 4.023593561e+01 1.48 3.736032541e+01 3.736032541e+01 1.50 3.466056890e+01 3.466056890e+01 1.52 3.212524583e+01 3.212524583e+01 1.54 2.974390426e+01 2.974390426e+01 1.56 2.750693245e+01 2.750693245e+01 1.58 2.540547311e+01 2.540547311e+01 1.60 2.343135573e+01 2.343135573e+01 1.62 2.157702039e+01 2.157702039e+01 1.64 1.983544689e+01 1.983544689e+01 1.66 1.820008619e+01 1.820008619e+01 1.68 1.666482618e+01 1.666482618e+01 1.70 1.522395291e+01 1.522395291e+01 1.72 1.387211313e+01 1.387211313e+01 1.74 1.260428249e+01 1.260428249e+01 1.76 1.141573842e+01 1.141573842e+01 1.78 1.030203562e+01 1.030203562e+01 1.80 9.258997268e+00 9.258997268e+00 1.82 8.282675161e+00 8.282675161e+00 1.84 7.369326117e+00 7.369326117e+00 1.86 6.515400241e+00 6.515400241e+00 1.88 5.717528375e+00 5.717528375e+00 1.90 4.972523858e+00 4.972523858e+00 1.92 4.277374825e+00 4.277374825e+00 1.94 3.629226397e+00 3.629226397e+00 1.96 3.025375610e+00 3.025375610e+00 1.98 2.463267248e+00 2.463267248e+00 2.00 1.940489735e+00 1.940489735e+00 2.02 1.454770845e+00 1.454770845e+00 2.04 1.003970838e+00 1.003970838e+00 2.06 5.860698006e-01 5.860698006e-01 2.08 1.991542772e-01 1.991542772e-01 2.10 -1.585890122e-01 -1.585890122e-01 2.12 -4.888779489e-01 -4.888779489e-01 2.14 -7.933395964e-01 -7.933395964e-01 2.16 -1.073514589e+00 -1.073514589e+00 2.18 -1.330864344e+00 -1.330864344e+00 2.20 -1.566784006e+00 -1.566784006e+00 2.22 -1.782594336e+00 -1.782594336e+00 2.24 -1.979541804e+00 -1.979541804e+00 2.26 -2.158802640e+00 -2.158802640e+00 2.28 -2.321486661e+00 -2.321486661e+00 2.30 -2.468640892e+00 -2.468640892e+00 2.32 -2.601252989e+00 -2.601252989e+00 2.34 -2.720254470e+00 -2.720254470e+00 2.36 -2.826523780e+00 -2.826523780e+00 2.38 -2.920889177e+00 -2.920889177e+00 2.40 -3.004131471e+00 -3.004131471e+00 2.42 -3.076986610e+00 -3.076986610e+00 2.44 -3.140148123e+00 -3.140148123e+00 2.46 -3.194269437e+00 -3.194269437e+00 2.48 -3.239966059e+00 -3.239966059e+00 2.50 -3.277818121e+00 -3.277818121e+00 2.52 -3.308382437e+00 -3.308382437e+00 2.54 -3.332191859e+00 -3.332191859e+00 2.56 -3.349745425e+00 -3.349745425e+00 2.58 -3.361510006e+00 -3.361510006e+00 2.60 -3.367922327e+00 -3.367922327e+00 2.62 -3.369390928e+00 -3.369390928e+00 2.64 -3.366299197e+00 -3.366299197e+00 2.66 -3.359006698e+00 -3.359006698e+00 2.68 -3.347849348e+00 -3.347849348e+00 2.70 -3.333140852e+00 -3.333140852e+00 2.72 -3.315174084e+00 -3.315174084e+00 2.74 -3.294222380e+00 -3.294222380e+00 2.76 -3.270540746e+00 -3.270540746e+00 2.78 -3.244366985e+00 -3.244366985e+00 2.80 -3.215922748e+00 -3.215922748e+00 2.82 -3.185414524e+00 -3.185414524e+00 2.84 -3.153034551e+00 -3.153034551e+00 2.86 -3.118961681e+00 -3.118961681e+00 2.88 -3.083362180e+00 -3.083362180e+00 2.90 -3.046390476e+00 -3.046390476e+00 2.92 -3.008189862e+00 -3.008189862e+00 2.94 -2.968893152e+00 -2.968893152e+00 2.96 -2.928623291e+00 -2.928623291e+00 2.98 -2.887493931e+00 -2.887493931e+00 3.00 -2.845609970e+00 -2.845609970e+00 3.02 -2.803068056e+00 -2.803068056e+00 3.04 -2.759957064e+00 -2.759957064e+00 3.06 -2.716358542e+00 -2.716358542e+00 3.08 -2.672347140e+00 -2.672347140e+00 3.10 -2.627991012e+00 -2.627991012e+00 3.12 -2.583352199e+00 -2.583352199e+00 3.14 -2.538487011e+00 -2.538487011e+00 3.16 -2.493446376e+00 -2.493446376e+00 3.18 -2.448276206e+00 -2.448276206e+00 3.20 -2.403017737e+00 -2.403017737e+00 3.22 -2.357707885e+00 -2.357707885e+00 3.24 -2.312379599e+00 -2.312379599e+00 3.26 -2.267062219e+00 -2.267062219e+00 3.28 -2.221781847e+00 -2.221781847e+00 3.30 -2.176561735e+00 -2.176561735e+00 3.32 -2.131422687e+00 -2.131422687e+00 3.34 -2.086383473e+00 -2.086383473e+00 3.36 -2.041461279e+00 -2.041461279e+00 3.38 -1.996672159e+00 -1.996672159e+00 3.40 -1.952031518e+00 -1.952031518e+00 3.42 -1.907554603e+00 -1.907554603e+00 3.44 -1.863257003e+00 -1.863257003e+00 3.46 -1.819155158e+00 -1.819155158e+00 3.48 -1.775266842e+00 -1.775266842e+00 3.50 -1.731611639e+00 -1.731611639e+00 3.52 -1.688211369e+00 -1.688211369e+00 3.54 -1.645090463e+00 -1.645090463e+00 3.56 -1.602276258e+00 -1.602276258e+00 3.58 -1.559799195e+00 -1.559799195e+00 3.60 -1.517692913e+00 -1.517692913e+00 3.62 -1.475994195e+00 -1.475994195e+00 3.64 -1.434742788e+00 -1.434742788e+00 3.66 -1.393981063e+00 -1.393981063e+00 3.68 -1.353753524e+00 -1.353753524e+00 3.70 -1.314106184e+00 -1.314106184e+00 3.72 -1.275085802e+00 -1.275085802e+00 3.74 -1.236739027e+00 -1.236739027e+00 3.76 -1.199111469e+00 -1.199111469e+00 3.78 -1.162246732e+00 -1.162246732e+00 3.80 -1.126185467e+00 -1.126185467e+00 3.82 -1.090964462e+00 -1.090964462e+00 3.84 -1.056615837e+00 -1.056615837e+00 3.86 -1.023166353e+00 -1.023166353e+00 3.88 -9.906368904e-01 -9.906368904e-01 3.90 -9.590420963e-01 -9.590420963e-01 3.92 -9.283902229e-01 -9.283902229e-01 3.94 -8.986831546e-01 -8.986831546e-01 3.96 -8.699166135e-01 -8.699166135e-01 3.98 -8.420805278e-01 -8.420805278e-01 4.00 -8.151595376e-01 -8.151595376e-01 4.02 -7.891336092e-01 -7.891336092e-01 4.04 -7.639787280e-01 -7.639787280e-01 4.06 -7.396676358e-01 -7.396676358e-01 4.08 -7.161705832e-01 -7.161705832e-01 4.10 -6.934560684e-01 -6.934560684e-01 4.12 -6.714915395e-01 -6.714915395e-01 4.14 -6.502440384e-01 -6.502440384e-01 4.16 -6.296807747e-01 -6.296807747e-01 4.18 -6.097696170e-01 -6.097696170e-01 4.20 -5.904794987e-01 -5.904794987e-01 4.22 -5.717807353e-01 -5.717807353e-01 4.24 -5.536452581e-01 -5.536452581e-01 4.26 -5.358883858e-01 -5.358883858e-01 4.28 -5.153375287e-01 -5.153375287e-01 4.30 -4.837606388e-01 -4.837606388e-01 4.32 -4.399635284e-01 -4.399635284e-01 4.34 -4.177044451e-01 -4.177044451e-01 4.36 -4.042166150e-01 -4.042166150e-01 4.38 -3.910895696e-01 -3.910895696e-01 4.40 -3.783109747e-01 -3.783109747e-01 4.42 -3.658695975e-01 -3.658695975e-01 4.44 -3.537551727e-01 -3.537551727e-01 4.46 -3.419582728e-01 -3.419582728e-01 4.48 -3.304701888e-01 -3.304701888e-01 4.50 -3.192828206e-01 -3.192828206e-01 4.52 -3.083885795e-01 -3.083885795e-01 4.54 -2.977803039e-01 -2.977803039e-01 4.56 -2.874511876e-01 -2.874511876e-01 4.58 -2.773947189e-01 -2.773947189e-01 4.60 -2.676046316e-01 -2.676046316e-01 4.62 -2.580748654e-01 -2.580748654e-01 4.64 -2.487995344e-01 -2.487995344e-01 4.66 -2.397729031e-01 -2.397729031e-01 4.68 -2.309893676e-01 -2.309893676e-01 4.70 -2.224434425e-01 -2.224434425e-01 4.72 -2.141297502e-01 -2.141297502e-01 4.74 -2.060430143e-01 -2.060430143e-01 4.76 -1.981780540e-01 -1.981780540e-01 4.78 -1.905297810e-01 -1.905297810e-01 4.80 -1.830931970e-01 -1.830931970e-01 4.82 -1.758633919e-01 -1.758633919e-01 4.84 -1.688355426e-01 -1.688355426e-01 4.86 -1.620049125e-01 -1.620049125e-01 4.88 -1.553668503e-01 -1.553668503e-01 4.90 -1.489167900e-01 -1.489167900e-01 4.92 -1.422021346e-01 -1.422021346e-01 4.94 -1.297777628e-01 -1.297777628e-01 4.96 -9.945745711e-02 -9.945745711e-02 4.98 -4.433302679e-02 -4.433302679e-02 5.00 -5.596501620e-24 -5.596694322e-24 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