# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = AlNiTi2 # 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 5.255188882e+02 5.255188882e+02 1.00 4.783959106e+02 4.783959106e+02 1.02 4.352313994e+02 4.352313994e+02 1.04 3.958468686e+02 3.958468686e+02 1.06 3.600220747e+02 3.600220747e+02 1.08 3.275137598e+02 3.275137598e+02 1.10 2.980692011e+02 2.980692011e+02 1.12 2.714358088e+02 2.714358088e+02 1.14 2.473677479e+02 2.473677479e+02 1.16 2.256303277e+02 2.256303277e+02 1.18 2.060027323e+02 2.060027323e+02 1.20 1.882795365e+02 1.882795365e+02 1.22 1.722713358e+02 1.722713358e+02 1.24 1.578047553e+02 1.578047553e+02 1.26 1.447220246e+02 1.447220246e+02 1.28 1.328803301e+02 1.328803301e+02 1.30 1.222256292e+02 1.222256292e+02 1.32 1.129981420e+02 1.129981420e+02 1.34 1.049859250e+02 1.049859250e+02 1.36 9.795065666e+01 9.795065666e+01 1.38 9.169877011e+01 9.169877011e+01 1.40 8.607441105e+01 8.607441105e+01 1.42 8.095322001e+01 8.095322001e+01 1.44 7.623693879e+01 7.623693879e+01 1.46 7.184877489e+01 7.184877489e+01 1.48 6.772943604e+01 6.772943604e+01 1.50 6.383376465e+01 6.383376465e+01 1.52 6.012790400e+01 6.012790400e+01 1.54 5.658692479e+01 5.658692479e+01 1.56 5.319285614e+01 5.319285614e+01 1.58 4.993306468e+01 4.993306468e+01 1.60 4.679893096e+01 4.679893096e+01 1.62 4.378478098e+01 4.378478098e+01 1.64 4.088703246e+01 4.088703246e+01 1.66 3.810352153e+01 3.810352153e+01 1.68 3.543298027e+01 3.543298027e+01 1.70 3.287463841e+01 3.287463841e+01 1.72 3.042792706e+01 3.042792706e+01 1.74 2.809225208e+01 2.809225208e+01 1.76 2.586680602e+01 2.586680602e+01 1.78 2.375046669e+01 2.375046669e+01 1.80 2.174175343e+01 2.174175343e+01 1.82 1.983881423e+01 1.983881423e+01 1.84 1.803943533e+01 1.803943533e+01 1.86 1.634106683e+01 1.634106683e+01 1.88 1.474085924e+01 1.474085924e+01 1.90 1.323570665e+01 1.323570665e+01 1.92 1.182229342e+01 1.182229342e+01 1.94 1.049714177e+01 1.049714177e+01 1.96 9.256658405e+00 9.256658405e+00 1.98 8.097178879e+00 8.097178879e+00 2.00 7.015008638e+00 7.015008638e+00 2.02 6.006457851e+00 6.006457851e+00 2.04 5.067853560e+00 5.067853560e+00 2.06 4.195542519e+00 4.195542519e+00 2.08 3.385917592e+00 3.385917592e+00 2.10 2.635445309e+00 2.635445309e+00 2.12 1.940688582e+00 1.940688582e+00 2.14 1.298324989e+00 1.298324989e+00 2.16 7.051610114e-01 7.051610114e-01 2.18 1.581427212e-01 1.581427212e-01 2.20 -3.456367289e-01 -3.456367289e-01 2.22 -8.089323799e-01 -8.089323799e-01 2.24 -1.234345106e+00 -1.234345106e+00 2.26 -1.624321331e+00 -1.624321331e+00 2.28 -1.981154438e+00 -1.981154438e+00 2.30 -2.306987612e+00 -2.306987612e+00 2.32 -2.603819892e+00 -2.603819892e+00 2.34 -2.873525048e+00 -2.873525048e+00 2.36 -3.117867152e+00 -3.117867152e+00 2.38 -3.338507144e+00 -3.338507144e+00 2.40 -3.537008554e+00 -3.537008554e+00 2.42 -3.714842939e+00 -3.714842939e+00 2.44 -3.873395011e+00 -3.873395011e+00 2.46 -4.013967490e+00 -4.013967490e+00 2.48 -4.137785702e+00 -4.137785702e+00 2.50 -4.246001919e+00 -4.246001919e+00 2.52 -4.339699467e+00 -4.339699467e+00 2.54 -4.419896613e+00 -4.419896613e+00 2.56 -4.487550234e+00 -4.487550234e+00 2.58 -4.543559295e+00 -4.543559295e+00 2.60 -4.588768129e+00 -4.588768129e+00 2.62 -4.623969543e+00 -4.623969543e+00 2.64 -4.649907750e+00 -4.649907750e+00 2.66 -4.667281147e+00 -4.667281147e+00 2.68 -4.676744927e+00 -4.676744927e+00 2.70 -4.678913566e+00 -4.678913566e+00 2.72 -4.674363157e+00 -4.674363157e+00 2.74 -4.663633624e+00 -4.663633624e+00 2.76 -4.647230809e+00 -4.647230809e+00 2.78 -4.625628447e+00 -4.625628447e+00 2.80 -4.599270030e+00 -4.599270030e+00 2.82 -4.568570569e+00 -4.568570569e+00 2.84 -4.533918252e+00 -4.533918252e+00 2.86 -4.495676019e+00 -4.495676019e+00 2.88 -4.454183043e+00 -4.454183043e+00 2.90 -4.409756128e+00 -4.409756128e+00 2.92 -4.362691030e+00 -4.362691030e+00 2.94 -4.313263708e+00 -4.313263708e+00 2.96 -4.261731496e+00 -4.261731496e+00 2.98 -4.208334215e+00 -4.208334215e+00 3.00 -4.153295224e+00 -4.153295224e+00 3.02 -4.096822404e+00 -4.096822404e+00 3.04 -4.039109109e+00 -4.039109109e+00 3.06 -3.980335016e+00 -3.980335016e+00 3.08 -3.920666915e+00 -3.920666915e+00 3.10 -3.860259628e+00 -3.860259628e+00 3.12 -3.799256634e+00 -3.799256634e+00 3.14 -3.737790789e+00 -3.737790789e+00 3.16 -3.675984988e+00 -3.675984988e+00 3.18 -3.613952782e+00 -3.613952782e+00 3.20 -3.551798959e+00 -3.551798959e+00 3.22 -3.489620090e+00 -3.489620090e+00 3.24 -3.427505053e+00 -3.427505053e+00 3.26 -3.365535513e+00 -3.365535513e+00 3.28 -3.303786384e+00 -3.303786384e+00 3.30 -3.242326258e+00 -3.242326258e+00 3.32 -3.181217815e+00 -3.181217815e+00 3.34 -3.120518203e+00 -3.120518203e+00 3.36 -3.060279400e+00 -3.060279400e+00 3.38 -3.000548550e+00 -3.000548550e+00 3.40 -2.941368284e+00 -2.941368284e+00 3.42 -2.882777021e+00 -2.882777021e+00 3.44 -2.824809247e+00 -2.824809247e+00 3.46 -2.767495782e+00 -2.767495782e+00 3.48 -2.710864028e+00 -2.710864028e+00 3.50 -2.654938206e+00 -2.654938206e+00 3.52 -2.599739574e+00 -2.599739574e+00 3.54 -2.545286634e+00 -2.545286634e+00 3.56 -2.491595325e+00 -2.491595325e+00 3.58 -2.438679211e+00 -2.438679211e+00 3.60 -2.386549645e+00 -2.386549645e+00 3.62 -2.335215935e+00 -2.335215935e+00 3.64 -2.284685490e+00 -2.284685490e+00 3.66 -2.234963969e+00 -2.234963969e+00 3.68 -2.186055404e+00 -2.186055404e+00 3.70 -2.137962334e+00 -2.137962334e+00 3.72 -2.090685915e+00 -2.090685915e+00 3.74 -2.044226029e+00 -2.044226029e+00 3.76 -1.998581394e+00 -1.998581394e+00 3.78 -1.953749648e+00 -1.953749648e+00 3.80 -1.909727450e+00 -1.909727450e+00 3.82 -1.866510556e+00 -1.866510556e+00 3.84 -1.824093900e+00 -1.824093900e+00 3.86 -1.782471669e+00 -1.782471669e+00 3.88 -1.741637369e+00 -1.741637369e+00 3.90 -1.701583891e+00 -1.701583891e+00 3.92 -1.662303566e+00 -1.662303566e+00 3.94 -1.623788228e+00 -1.623788228e+00 3.96 -1.586029262e+00 -1.586029262e+00 3.98 -1.549017649e+00 -1.549017649e+00 4.00 -1.512744019e+00 -1.512744019e+00 4.02 -1.477198686e+00 -1.477198686e+00 4.04 -1.442371690e+00 -1.442371690e+00 4.06 -1.408252834e+00 -1.408252834e+00 4.08 -1.374831716e+00 -1.374831716e+00 4.10 -1.342097759e+00 -1.342097759e+00 4.12 -1.310040245e+00 -1.310040245e+00 4.14 -1.278648338e+00 -1.278648338e+00 4.16 -1.247911108e+00 -1.247911108e+00 4.18 -1.217817557e+00 -1.217817557e+00 4.20 -1.188356639e+00 -1.188356639e+00 4.22 -1.159517280e+00 -1.159517280e+00 4.24 -1.131288394e+00 -1.131288394e+00 4.26 -1.103663027e+00 -1.103663027e+00 4.28 -1.076669073e+00 -1.076669073e+00 4.30 -1.048488377e+00 -1.048488377e+00 4.32 -1.008958898e+00 -1.008958898e+00 4.34 -9.772948856e-01 -9.772948856e-01 4.36 -9.533533776e-01 -9.533533776e-01 4.38 -9.298673217e-01 -9.298673217e-01 4.40 -9.068275238e-01 -9.068275238e-01 4.42 -8.842248823e-01 -8.842248823e-01 4.44 -8.620503951e-01 -8.620503951e-01 4.46 -8.402951659e-01 -8.402951659e-01 4.48 -8.189504100e-01 -8.189504100e-01 4.50 -7.980074597e-01 -7.980074597e-01 4.52 -7.774577690e-01 -7.774577690e-01 4.54 -7.572929189e-01 -7.572929189e-01 4.56 -7.375046215e-01 -7.375046215e-01 4.58 -7.180847238e-01 -7.180847238e-01 4.60 -6.990252123e-01 -6.990252123e-01 4.62 -6.803182165e-01 -6.803182165e-01 4.64 -6.619560122e-01 -6.619560122e-01 4.66 -6.439310257e-01 -6.439310257e-01 4.68 -6.262358366e-01 -6.262358366e-01 4.70 -6.088631819e-01 -6.088631819e-01 4.72 -5.918059590e-01 -5.918059590e-01 4.74 -5.750572290e-01 -5.750572290e-01 4.76 -5.586102207e-01 -5.586102207e-01 4.78 -5.424583339e-01 -5.424583339e-01 4.80 -5.265951430e-01 -5.265951430e-01 4.82 -5.110144008e-01 -5.110144008e-01 4.84 -4.957100424e-01 -4.957100424e-01 4.86 -4.806761894e-01 -4.806761894e-01 4.88 -4.659071537e-01 -4.659071537e-01 4.90 -4.513974423e-01 -4.513974423e-01 4.92 -4.366599007e-01 -4.366599007e-01 4.94 -4.155582882e-01 -4.155582882e-01 4.96 -3.677871726e-01 -3.677871726e-01 4.98 -2.363954326e-01 -2.363954326e-01 5.00 -4.959269949e-22 -4.958567373e-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