# 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 = 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 5.829396163e+02 5.829396163e+02 1.00 5.346753878e+02 5.346753878e+02 1.02 4.903349758e+02 4.903349758e+02 1.04 4.492448930e+02 4.492448930e+02 1.06 4.100469565e+02 4.100469565e+02 1.08 3.730586541e+02 3.730586541e+02 1.10 3.385308443e+02 3.385308443e+02 1.12 3.065698710e+02 3.065698710e+02 1.14 2.771802261e+02 2.771802261e+02 1.16 2.502966041e+02 2.502966041e+02 1.18 2.258077572e+02 2.258077572e+02 1.20 2.035740937e+02 2.035740937e+02 1.22 1.834404961e+02 1.834404961e+02 1.24 1.652455026e+02 1.652455026e+02 1.26 1.488277518e+02 1.488277518e+02 1.28 1.340303714e+02 1.340303714e+02 1.30 1.207038412e+02 1.207038412e+02 1.32 1.087077349e+02 1.087077349e+02 1.34 9.791164696e+01 9.791164696e+01 1.36 8.819554282e+01 8.819554282e+01 1.38 7.944970206e+01 7.944970206e+01 1.40 7.157439149e+01 7.157439149e+01 1.42 6.447936359e+01 6.447936359e+01 1.44 5.808324959e+01 5.808324959e+01 1.46 5.231290212e+01 5.231290212e+01 1.48 4.710272061e+01 4.710272061e+01 1.50 4.239398525e+01 4.239398525e+01 1.52 3.813421740e+01 3.813421740e+01 1.54 3.427657452e+01 3.427657452e+01 1.56 3.077928700e+01 3.077928700e+01 1.58 2.760513971e+01 2.760513971e+01 1.60 2.472099722e+01 2.472099722e+01 1.62 2.209737327e+01 2.209737327e+01 1.64 1.970804165e+01 1.970804165e+01 1.66 1.752968547e+01 1.752968547e+01 1.68 1.554158284e+01 1.554158284e+01 1.70 1.372532506e+01 1.372532506e+01 1.72 1.206456356e+01 1.206456356e+01 1.74 1.054475905e+01 1.054475905e+01 1.76 9.152932599e+00 9.152932599e+00 1.78 7.877468220e+00 7.877468220e+00 1.80 6.707962307e+00 6.707962307e+00 1.82 5.635099147e+00 5.635099147e+00 1.84 4.650539783e+00 4.650539783e+00 1.86 3.746822347e+00 3.746822347e+00 1.88 2.917272472e+00 2.917272472e+00 1.90 2.155923010e+00 2.155923010e+00 1.92 1.457441739e+00 1.457441739e+00 1.94 8.170662745e-01 8.170662745e-01 1.96 2.305454894e-01 2.305454894e-01 1.98 -3.059163892e-01 -3.059163892e-01 2.00 -7.957555246e-01 -7.957555246e-01 2.02 -1.242165645e+00 -1.242165645e+00 2.04 -1.648139598e+00 -1.648139598e+00 2.06 -2.016482199e+00 -2.016482199e+00 2.08 -2.349821455e+00 -2.349821455e+00 2.10 -2.650619171e+00 -2.650619171e+00 2.12 -2.921180904e+00 -2.921180904e+00 2.14 -3.163665367e+00 -3.163665367e+00 2.16 -3.380093285e+00 -3.380093285e+00 2.18 -3.572355719e+00 -3.572355719e+00 2.20 -3.742221927e+00 -3.742221927e+00 2.22 -3.891346762e+00 -3.891346762e+00 2.24 -4.021277621e+00 -4.021277621e+00 2.26 -4.133461011e+00 -4.133461011e+00 2.28 -4.229248718e+00 -4.229248718e+00 2.30 -4.309903608e+00 -4.309903608e+00 2.32 -4.376605106e+00 -4.376605106e+00 2.34 -4.430454330e+00 -4.430454330e+00 2.36 -4.472478934e+00 -4.472478934e+00 2.38 -4.503637669e+00 -4.503637669e+00 2.40 -4.524824659e+00 -4.524824659e+00 2.42 -4.536873433e+00 -4.536873433e+00 2.44 -4.540560719e+00 -4.540560719e+00 2.46 -4.536609999e+00 -4.536609999e+00 2.48 -4.525694870e+00 -4.525694870e+00 2.50 -4.508442186e+00 -4.508442186e+00 2.52 -4.485435023e+00 -4.485435023e+00 2.54 -4.457215459e+00 -4.457215459e+00 2.56 -4.424287191e+00 -4.424287191e+00 2.58 -4.387117989e+00 -4.387117989e+00 2.60 -4.346142006e+00 -4.346142006e+00 2.62 -4.301761945e+00 -4.301761945e+00 2.64 -4.254351095e+00 -4.254351095e+00 2.66 -4.204255240e+00 -4.204255240e+00 2.68 -4.151794457e+00 -4.151794457e+00 2.70 -4.097264797e+00 -4.097264797e+00 2.72 -4.040939868e+00 -4.040939868e+00 2.74 -3.983072316e+00 -3.983072316e+00 2.76 -3.923895219e+00 -3.923895219e+00 2.78 -3.863623390e+00 -3.863623390e+00 2.80 -3.802454601e+00 -3.802454601e+00 2.82 -3.740570733e+00 -3.740570733e+00 2.84 -3.678138849e+00 -3.678138849e+00 2.86 -3.615312203e+00 -3.615312203e+00 2.88 -3.552231187e+00 -3.552231187e+00 2.90 -3.489024212e+00 -3.489024212e+00 2.92 -3.425808542e+00 -3.425808542e+00 2.94 -3.362691068e+00 -3.362691068e+00 2.96 -3.299769032e+00 -3.299769032e+00 2.98 -3.237130714e+00 -3.237130714e+00 3.00 -3.174856063e+00 -3.174856063e+00 3.02 -3.113017295e+00 -3.113017295e+00 3.04 -3.051679453e+00 -3.051679453e+00 3.06 -2.990900922e+00 -2.990900922e+00 3.08 -2.930733916e+00 -2.930733916e+00 3.10 -2.871224942e+00 -2.871224942e+00 3.12 -2.812415219e+00 -2.812415219e+00 3.14 -2.754341072e+00 -2.754341072e+00 3.16 -2.697034311e+00 -2.697034311e+00 3.18 -2.640522571e+00 -2.640522571e+00 3.20 -2.584829635e+00 -2.584829635e+00 3.22 -2.529975741e+00 -2.529975741e+00 3.24 -2.475977858e+00 -2.475977858e+00 3.26 -2.422849948e+00 -2.422849948e+00 3.28 -2.370603214e+00 -2.370603214e+00 3.30 -2.319246323e+00 -2.319246323e+00 3.32 -2.268785620e+00 -2.268785620e+00 3.34 -2.219225325e+00 -2.219225325e+00 3.36 -2.170567717e+00 -2.170567717e+00 3.38 -2.122813301e+00 -2.122813301e+00 3.40 -2.075960972e+00 -2.075960972e+00 3.42 -2.030008155e+00 -2.030008155e+00 3.44 -1.984950949e+00 -1.984950949e+00 3.46 -1.940784250e+00 -1.940784250e+00 3.48 -1.897501868e+00 -1.897501868e+00 3.50 -1.855096637e+00 -1.855096637e+00 3.52 -1.813560517e+00 -1.813560517e+00 3.54 -1.772884686e+00 -1.772884686e+00 3.56 -1.733059627e+00 -1.733059627e+00 3.58 -1.694075210e+00 -1.694075210e+00 3.60 -1.655920759e+00 -1.655920759e+00 3.62 -1.618585130e+00 -1.618585130e+00 3.64 -1.582056767e+00 -1.582056767e+00 3.66 -1.546323760e+00 -1.546323760e+00 3.68 -1.511373903e+00 -1.511373903e+00 3.70 -1.477194738e+00 -1.477194738e+00 3.72 -1.443773601e+00 -1.443773601e+00 3.74 -1.411097669e+00 -1.411097669e+00 3.76 -1.379153987e+00 -1.379153987e+00 3.78 -1.347929513e+00 -1.347929513e+00 3.80 -1.317411143e+00 -1.317411143e+00 3.82 -1.287585745e+00 -1.287585745e+00 3.84 -1.258440179e+00 -1.258440179e+00 3.86 -1.229961326e+00 -1.229961326e+00 3.88 -1.202136109e+00 -1.202136109e+00 3.90 -1.174951509e+00 -1.174951509e+00 3.92 -1.148394587e+00 -1.148394587e+00 3.94 -1.122452497e+00 -1.122452497e+00 3.96 -1.097112502e+00 -1.097112502e+00 3.98 -1.072361985e+00 -1.072361985e+00 4.00 -1.048188463e+00 -1.048188463e+00 4.02 -1.024579595e+00 -1.024579595e+00 4.04 -1.001523190e+00 -1.001523190e+00 4.06 -9.790072163e-01 -9.790072163e-01 4.08 -9.570198098e-01 -9.570198098e-01 4.10 -9.355492764e-01 -9.355492764e-01 4.12 -9.145840991e-01 -9.145840991e-01 4.14 -8.941129415e-01 -8.941129415e-01 4.16 -8.741246515e-01 -8.741246515e-01 4.18 -8.546082640e-01 -8.546082640e-01 4.20 -8.355530033e-01 -8.355530033e-01 4.22 -8.169482841e-01 -8.169482841e-01 4.24 -7.987837135e-01 -7.987837135e-01 4.26 -7.811699515e-01 -7.811699515e-01 4.28 -7.665627263e-01 -7.665627263e-01 4.30 -7.610719071e-01 -7.610719071e-01 4.32 -7.629578344e-01 -7.629578344e-01 4.34 -7.515055496e-01 -7.515055496e-01 4.36 -7.360192171e-01 -7.360192171e-01 4.38 -7.208761302e-01 -7.208761302e-01 4.40 -7.060684293e-01 -7.060684293e-01 4.42 -6.915884152e-01 -6.915884152e-01 4.44 -6.774285478e-01 -6.774285478e-01 4.46 -6.635814444e-01 -6.635814444e-01 4.48 -6.500398776e-01 -6.500398776e-01 4.50 -6.367967740e-01 -6.367967740e-01 4.52 -6.238452118e-01 -6.238452118e-01 4.54 -6.111784189e-01 -6.111784189e-01 4.56 -5.987897707e-01 -5.987897707e-01 4.58 -5.866727878e-01 -5.866727878e-01 4.60 -5.748211342e-01 -5.748211342e-01 4.62 -5.632286143e-01 -5.632286143e-01 4.64 -5.518891713e-01 -5.518891713e-01 4.66 -5.407968844e-01 -5.407968844e-01 4.68 -5.299459664e-01 -5.299459664e-01 4.70 -5.193307616e-01 -5.193307616e-01 4.72 -5.089457435e-01 -5.089457435e-01 4.74 -4.987855120e-01 -4.987855120e-01 4.76 -4.888447912e-01 -4.888447912e-01 4.78 -4.791184271e-01 -4.791184271e-01 4.80 -4.696013853e-01 -4.696013853e-01 4.82 -4.602887485e-01 -4.602887485e-01 4.84 -4.511757143e-01 -4.511757143e-01 4.86 -4.422575927e-01 -4.422575927e-01 4.88 -4.335298040e-01 -4.335298040e-01 4.90 -4.249878766e-01 -4.249878766e-01 4.92 -4.160652226e-01 -4.160652226e-01 4.94 -3.994405865e-01 -3.994405865e-01 4.96 -3.520956126e-01 -3.520956126e-01 4.98 -2.202731775e-01 -2.202731775e-01 5.00 -3.175595237e-22 -3.173916319e-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 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