# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-As # implementation = 2026--Park-J-H--Fe-Cu-As--LAMMPS--ipr1 # composition = AsCu2Fe # 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 2026-06-16 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 3.413842054e+02 3.413842054e+02 0.86 3.222345390e+02 3.222345390e+02 0.88 3.040922139e+02 3.040922139e+02 0.90 2.869072710e+02 2.869072710e+02 0.92 2.706320653e+02 2.706320653e+02 0.94 2.552211673e+02 2.552211673e+02 0.96 2.406312692e+02 2.406312692e+02 0.98 2.268210934e+02 2.268210934e+02 1.00 2.137513056e+02 2.137513056e+02 1.02 2.013844300e+02 2.013844300e+02 1.04 1.896847691e+02 1.896847691e+02 1.06 1.786183253e+02 1.786183253e+02 1.08 1.681527264e+02 1.681527264e+02 1.10 1.582571531e+02 1.582571531e+02 1.12 1.489022671e+02 1.489022671e+02 1.14 1.400601298e+02 1.400601298e+02 1.16 1.317040857e+02 1.317040857e+02 1.18 1.238085468e+02 1.238085468e+02 1.20 1.163485694e+02 1.163485694e+02 1.22 1.092990992e+02 1.092990992e+02 1.24 1.026338380e+02 1.026338380e+02 1.26 9.632388853e+01 9.632388853e+01 1.28 9.033663225e+01 9.033663225e+01 1.30 8.463553033e+01 8.463553033e+01 1.32 7.918154154e+01 7.918154154e+01 1.34 7.393647679e+01 7.393647679e+01 1.36 6.886788114e+01 6.886788114e+01 1.38 6.395417743e+01 6.395417743e+01 1.40 5.918826937e+01 5.918826937e+01 1.42 5.457803709e+01 5.457803709e+01 1.44 5.014324883e+01 5.014324883e+01 1.46 4.590984855e+01 4.590984855e+01 1.48 4.190354088e+01 4.190354088e+01 1.50 3.814457585e+01 3.814457585e+01 1.52 3.464481059e+01 3.464481059e+01 1.54 3.140710287e+01 3.140710287e+01 1.56 2.842639939e+01 2.842639939e+01 1.58 2.569167771e+01 2.569167771e+01 1.60 2.318804626e+01 2.318804626e+01 1.62 2.089858149e+01 2.089858149e+01 1.64 1.880573019e+01 1.880573019e+01 1.66 1.689226804e+01 1.689226804e+01 1.68 1.514188595e+01 1.514188595e+01 1.70 1.353949858e+01 1.353949858e+01 1.72 1.207136370e+01 1.207136370e+01 1.74 1.072508228e+01 1.072508228e+01 1.76 9.489530066e+00 9.489530066e+00 1.78 8.354754671e+00 8.354754671e+00 1.80 7.311859656e+00 7.311859656e+00 1.82 6.352888266e+00 6.352888266e+00 1.84 5.470713798e+00 5.470713798e+00 1.86 4.658939859e+00 4.658939859e+00 1.88 3.911811620e+00 3.911811620e+00 1.90 3.224137932e+00 3.224137932e+00 1.92 2.591223563e+00 2.591223563e+00 1.94 2.008810496e+00 2.008810496e+00 1.96 1.473027194e+00 1.473027194e+00 1.98 9.803447757e-01 9.803447757e-01 2.00 5.275390930e-01 5.275390930e-01 2.02 1.116578916e-01 1.116578916e-01 2.04 -2.700077275e-01 -2.700077275e-01 2.06 -6.199481526e-01 -6.199481526e-01 2.08 -9.404569785e-01 -9.404569785e-01 2.10 -1.233650033e+00 -1.233650033e+00 2.12 -1.501482112e+00 -1.501482112e+00 2.14 -1.745761735e+00 -1.745761735e+00 2.16 -1.968164211e+00 -1.968164211e+00 2.18 -2.170243233e+00 -2.170243233e+00 2.20 -2.353441200e+00 -2.353441200e+00 2.22 -2.519098443e+00 -2.519098443e+00 2.24 -2.668461486e+00 -2.668461486e+00 2.26 -2.802690466e+00 -2.802690466e+00 2.28 -2.922865825e+00 -2.922865825e+00 2.30 -3.029994348e+00 -3.029994348e+00 2.32 -3.125014642e+00 -3.125014642e+00 2.34 -3.208802108e+00 -3.208802108e+00 2.36 -3.282173469e+00 -3.282173469e+00 2.38 -3.345890906e+00 -3.345890906e+00 2.40 -3.400665847e+00 -3.400665847e+00 2.42 -3.447162437e+00 -3.447162437e+00 2.44 -3.486000731e+00 -3.486000731e+00 2.46 -3.517759639e+00 -3.517759639e+00 2.48 -3.542979645e+00 -3.542979645e+00 2.50 -3.562165317e+00 -3.562165317e+00 2.52 -3.575787641e+00 -3.575787641e+00 2.54 -3.584286182e+00 -3.584286182e+00 2.56 -3.588071098e+00 -3.588071098e+00 2.58 -3.587525013e+00 -3.587525013e+00 2.60 -3.583004764e+00 -3.583004764e+00 2.62 -3.574843033e+00 -3.574843033e+00 2.64 -3.563349871e+00 -3.563349871e+00 2.66 -3.548814125e+00 -3.548814125e+00 2.68 -3.531504774e+00 -3.531504774e+00 2.70 -3.511672179e+00 -3.511672179e+00 2.72 -3.489549262e+00 -3.489549262e+00 2.74 -3.465352601e+00 -3.465352601e+00 2.76 -3.439283470e+00 -3.439283470e+00 2.78 -3.411528806e+00 -3.411528806e+00 2.80 -3.382262128e+00 -3.382262128e+00 2.82 -3.351644385e+00 -3.351644385e+00 2.84 -3.319824772e+00 -3.319824772e+00 2.86 -3.286941481e+00 -3.286941481e+00 2.88 -3.253122418e+00 -3.253122418e+00 2.90 -3.218485869e+00 -3.218485869e+00 2.92 -3.183141135e+00 -3.183141135e+00 2.94 -3.147189118e+00 -3.147189118e+00 2.96 -3.110722883e+00 -3.110722883e+00 2.98 -3.073828177e+00 -3.073828177e+00 3.00 -3.036583923e+00 -3.036583923e+00 3.02 -2.999062683e+00 -2.999062683e+00 3.04 -2.961331086e+00 -2.961331086e+00 3.06 -2.923450242e+00 -2.923450242e+00 3.08 -2.885476121e+00 -2.885476121e+00 3.10 -2.847459911e+00 -2.847459911e+00 3.12 -2.809448355e+00 -2.809448355e+00 3.14 -2.771484070e+00 -2.771484070e+00 3.16 -2.733605836e+00 -2.733605836e+00 3.18 -2.695848878e+00 -2.695848878e+00 3.20 -2.658245124e+00 -2.658245124e+00 3.22 -2.620823448e+00 -2.620823448e+00 3.24 -2.583609897e+00 -2.583609897e+00 3.26 -2.546627902e+00 -2.546627902e+00 3.28 -2.509898479e+00 -2.509898479e+00 3.30 -2.473440412e+00 -2.473440412e+00 3.32 -2.437270429e+00 -2.437270429e+00 3.34 -2.401403360e+00 -2.401403360e+00 3.36 -2.365852290e+00 -2.365852290e+00 3.38 -2.330628120e+00 -2.330628120e+00 3.40 -2.291955752e+00 -2.291955752e+00 3.42 -2.213697172e+00 -2.213697172e+00 3.44 -2.020516240e+00 -2.020516240e+00 3.46 -1.739657608e+00 -1.739657608e+00 3.48 -1.691865870e+00 -1.691865870e+00 3.50 -1.661080772e+00 -1.661080772e+00 3.52 -1.630799693e+00 -1.630799693e+00 3.54 -1.601021032e+00 -1.601021032e+00 3.56 -1.571742487e+00 -1.571742487e+00 3.58 -1.542961123e+00 -1.542961123e+00 3.60 -1.514673431e+00 -1.514673431e+00 3.62 -1.486875388e+00 -1.486875388e+00 3.64 -1.459562511e+00 -1.459562511e+00 3.66 -1.432729907e+00 -1.432729907e+00 3.68 -1.406372319e+00 -1.406372319e+00 3.70 -1.380484173e+00 -1.380484173e+00 3.72 -1.355059613e+00 -1.355059613e+00 3.74 -1.330092543e+00 -1.330092543e+00 3.76 -1.305576657e+00 -1.305576657e+00 3.78 -1.281505475e+00 -1.281505475e+00 3.80 -1.257872371e+00 -1.257872371e+00 3.82 -1.234670599e+00 -1.234670599e+00 3.84 -1.211893318e+00 -1.211893318e+00 3.86 -1.189533616e+00 -1.189533616e+00 3.88 -1.167584531e+00 -1.167584531e+00 3.90 -1.146039068e+00 -1.146039068e+00 3.92 -1.122972505e+00 -1.122972505e+00 3.94 -1.073681497e+00 -1.073681497e+00 3.96 -9.270781653e-01 -9.270781653e-01 3.98 -5.521254279e-01 -5.521254279e-01 4.00 -3.895402258e-22 -3.893395838e-22 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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 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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