# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kang-K-H-Sa-I-Lee-J-C-et-al--Cu-Zr-Ag # implementation = 2009--Kang-K-H--Cu-Zr-Ag--LAMMPS--ipr1 # composition = Ag2CuZr # 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 2022-05-24 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 7.416076646e+02 7.416076646e+02 1.00 6.930360505e+02 6.930360505e+02 1.02 6.475481515e+02 6.475481515e+02 1.04 6.049515288e+02 6.049515288e+02 1.06 5.650655877e+02 5.650655877e+02 1.08 5.277208594e+02 5.277208594e+02 1.10 4.927583234e+02 4.927583234e+02 1.12 4.600287725e+02 4.600287725e+02 1.14 4.293922154e+02 4.293922154e+02 1.16 4.007173147e+02 4.007173147e+02 1.18 3.738808589e+02 3.738808589e+02 1.20 3.487672669e+02 3.487672669e+02 1.22 3.252681210e+02 3.252681210e+02 1.24 3.032817292e+02 3.032817292e+02 1.26 2.827127137e+02 2.827127137e+02 1.28 2.634716237e+02 2.634716237e+02 1.30 2.454745719e+02 2.454745719e+02 1.32 2.286428937e+02 2.286428937e+02 1.34 2.129028255e+02 2.129028255e+02 1.36 1.981852040e+02 1.981852040e+02 1.38 1.844251830e+02 1.844251830e+02 1.40 1.715619674e+02 1.715619674e+02 1.42 1.595385636e+02 1.595385636e+02 1.44 1.483015448e+02 1.483015448e+02 1.46 1.378008310e+02 1.378008310e+02 1.48 1.279894820e+02 1.279894820e+02 1.50 1.188235029e+02 1.188235029e+02 1.52 1.102616624e+02 1.102616624e+02 1.54 1.022653211e+02 1.022653211e+02 1.56 9.479827043e+01 9.479827043e+01 1.58 8.782658259e+01 8.782658259e+01 1.60 8.131846814e+01 8.131846814e+01 1.62 7.524414323e+01 7.524414323e+01 1.64 6.957570490e+01 6.957570490e+01 1.66 6.428701369e+01 6.428701369e+01 1.68 5.935358380e+01 5.935358380e+01 1.70 5.475247993e+01 5.475247993e+01 1.72 5.046222025e+01 5.046222025e+01 1.74 4.646268575e+01 4.646268575e+01 1.76 4.273503483e+01 4.273503483e+01 1.78 3.926162329e+01 3.926162329e+01 1.80 3.602592939e+01 3.602592939e+01 1.82 3.301248330e+01 3.301248330e+01 1.84 3.020680108e+01 3.020680108e+01 1.86 2.759532279e+01 2.759532279e+01 1.88 2.516535428e+01 2.516535428e+01 1.90 2.290501270e+01 2.290501270e+01 1.92 2.080317542e+01 2.080317542e+01 1.94 1.884943202e+01 1.884943202e+01 1.96 1.703403938e+01 1.703403938e+01 1.98 1.534787952e+01 1.534787952e+01 2.00 1.378242001e+01 1.378242001e+01 2.02 1.232967698e+01 1.232967698e+01 2.04 1.098218035e+01 1.098218035e+01 2.06 9.732941218e+00 9.732941218e+00 2.08 8.575421397e+00 8.575421397e+00 2.10 7.503504721e+00 7.503504721e+00 2.12 6.511470256e+00 6.511470256e+00 2.14 5.593967160e+00 5.593967160e+00 2.16 4.745991082e+00 4.745991082e+00 2.18 3.962862122e+00 3.962862122e+00 2.20 3.240204108e+00 3.240204108e+00 2.22 2.573925206e+00 2.573925206e+00 2.24 1.960199773e+00 1.960199773e+00 2.26 1.395451310e+00 1.395451310e+00 2.28 8.763365247e-01 8.763365247e-01 2.30 3.997304002e-01 3.997304002e-01 2.32 -3.728781894e-02 -3.728781894e-02 2.34 -4.374477192e-01 -4.374477192e-01 2.36 -8.032999988e-01 -8.032999988e-01 2.38 -1.137227978e+00 -1.137227978e+00 2.40 -1.441458354e+00 -1.441458354e+00 2.42 -1.718071294e+00 -1.718071294e+00 2.44 -1.969009884e+00 -1.969009884e+00 2.46 -2.196088959e+00 -2.196088959e+00 2.48 -2.401003393e+00 -2.401003393e+00 2.50 -2.585335851e+00 -2.585335851e+00 2.52 -2.750564041e+00 -2.750564041e+00 2.54 -2.898067514e+00 -2.898067514e+00 2.56 -3.029134019e+00 -3.029134019e+00 2.58 -3.144965460e+00 -3.144965460e+00 2.60 -3.246683468e+00 -3.246683468e+00 2.62 -3.335334614e+00 -3.335334614e+00 2.64 -3.411895292e+00 -3.411895292e+00 2.66 -3.477276287e+00 -3.477276287e+00 2.68 -3.532327047e+00 -3.532327047e+00 2.70 -3.577839685e+00 -3.577839685e+00 2.72 -3.614552723e+00 -3.614552723e+00 2.74 -3.643154588e+00 -3.643154588e+00 2.76 -3.664286895e+00 -3.664286895e+00 2.78 -3.678547507e+00 -3.678547507e+00 2.80 -3.686493404e+00 -3.686493404e+00 2.82 -3.688643364e+00 -3.688643364e+00 2.84 -3.685480475e+00 -3.685480475e+00 2.86 -3.677454477e+00 -3.677454477e+00 2.88 -3.664983958e+00 -3.664983958e+00 2.90 -3.648458410e+00 -3.648458410e+00 2.92 -3.628240144e+00 -3.628240144e+00 2.94 -3.604666086e+00 -3.604666086e+00 2.96 -3.578049458e+00 -3.578049458e+00 2.98 -3.548681346e+00 -3.548681346e+00 3.00 -3.516832166e+00 -3.516832166e+00 3.02 -3.482753037e+00 -3.482753037e+00 3.04 -3.446677067e+00 -3.446677067e+00 3.06 -3.408820546e+00 -3.408820546e+00 3.08 -3.369384071e+00 -3.369384071e+00 3.10 -3.328553596e+00 -3.328553596e+00 3.12 -3.286501404e+00 -3.286501404e+00 3.14 -3.243387032e+00 -3.243387032e+00 3.16 -3.199358117e+00 -3.199358117e+00 3.18 -3.154551204e+00 -3.154551204e+00 3.20 -3.109092489e+00 -3.109092489e+00 3.22 -3.063098516e+00 -3.063098516e+00 3.24 -3.016676835e+00 -3.016676835e+00 3.26 -2.969926606e+00 -2.969926606e+00 3.28 -2.922939172e+00 -2.922939172e+00 3.30 -2.875798592e+00 -2.875798592e+00 3.32 -2.828582133e+00 -2.828582133e+00 3.34 -2.781360742e+00 -2.781360742e+00 3.36 -2.734199475e+00 -2.734199475e+00 3.38 -2.687157904e+00 -2.687157904e+00 3.40 -2.640290494e+00 -2.640290494e+00 3.42 -2.593646960e+00 -2.593646960e+00 3.44 -2.547272595e+00 -2.547272595e+00 3.46 -2.501208576e+00 -2.501208576e+00 3.48 -2.455492258e+00 -2.455492258e+00 3.50 -2.410157439e+00 -2.410157439e+00 3.52 -2.365234611e+00 -2.365234611e+00 3.54 -2.320751195e+00 -2.320751195e+00 3.56 -2.276731761e+00 -2.276731761e+00 3.58 -2.233198232e+00 -2.233198232e+00 3.60 -2.190170071e+00 -2.190170071e+00 3.62 -2.147664467e+00 -2.147664467e+00 3.64 -2.105696492e+00 -2.105696492e+00 3.66 -2.064279262e+00 -2.064279262e+00 3.68 -2.023424080e+00 -2.023424080e+00 3.70 -1.983140572e+00 -1.983140572e+00 3.72 -1.943436810e+00 -1.943436810e+00 3.74 -1.904319431e+00 -1.904319431e+00 3.76 -1.865793749e+00 -1.865793749e+00 3.78 -1.827863853e+00 -1.827863853e+00 3.80 -1.790532705e+00 -1.790532705e+00 3.82 -1.753802228e+00 -1.753802228e+00 3.84 -1.717673389e+00 -1.717673389e+00 3.86 -1.682146276e+00 -1.682146276e+00 3.88 -1.647220170e+00 -1.647220170e+00 3.90 -1.612893611e+00 -1.612893611e+00 3.92 -1.579164463e+00 -1.579164463e+00 3.94 -1.546029968e+00 -1.546029968e+00 3.96 -1.513486807e+00 -1.513486807e+00 3.98 -1.481531140e+00 -1.481531140e+00 4.00 -1.450158665e+00 -1.450158665e+00 4.02 -1.419364652e+00 -1.419364652e+00 4.04 -1.389143987e+00 -1.389143987e+00 4.06 -1.359491213e+00 -1.359491213e+00 4.08 -1.330400559e+00 -1.330400559e+00 4.10 -1.301865978e+00 -1.301865978e+00 4.12 -1.273881174e+00 -1.273881174e+00 4.14 -1.246439630e+00 -1.246439630e+00 4.16 -1.219534638e+00 -1.219534638e+00 4.18 -1.193159320e+00 -1.193159320e+00 4.20 -1.167306649e+00 -1.167306649e+00 4.22 -1.141969474e+00 -1.141969474e+00 4.24 -1.117140537e+00 -1.117140537e+00 4.26 -1.092622970e+00 -1.092622970e+00 4.28 -1.064481259e+00 -1.064481259e+00 4.30 -1.018825753e+00 -1.018825753e+00 4.32 -9.333077627e-01 -9.333077627e-01 4.34 -8.871027280e-01 -8.871027280e-01 4.36 -8.676508327e-01 -8.676508327e-01 4.38 -8.486086146e-01 -8.486086146e-01 4.40 -8.299690635e-01 -8.299690635e-01 4.42 -8.117251904e-01 -8.117251904e-01 4.44 -7.938700351e-01 -7.938700351e-01 4.46 -7.763966727e-01 -7.763966727e-01 4.48 -7.592982198e-01 -7.592982198e-01 4.50 -7.425678403e-01 -7.425678403e-01 4.52 -7.261987502e-01 -7.261987502e-01 4.54 -7.101842222e-01 -7.101842222e-01 4.56 -6.945175903e-01 -6.945175903e-01 4.58 -6.791922533e-01 -6.791922533e-01 4.60 -6.642016781e-01 -6.642016781e-01 4.62 -6.495394032e-01 -6.495394032e-01 4.64 -6.351990409e-01 -6.351990409e-01 4.66 -6.211742804e-01 -6.211742804e-01 4.68 -6.074588893e-01 -6.074588893e-01 4.70 -5.940467158e-01 -5.940467158e-01 4.72 -5.809316904e-01 -5.809316904e-01 4.74 -5.681078272e-01 -5.681078272e-01 4.76 -5.555692251e-01 -5.555692251e-01 4.78 -5.433100689e-01 -5.433100689e-01 4.80 -5.313246299e-01 -5.313246299e-01 4.82 -5.196072668e-01 -5.196072668e-01 4.84 -5.081524261e-01 -5.081524261e-01 4.86 -4.969546423e-01 -4.969546423e-01 4.88 -4.860085384e-01 -4.860085384e-01 4.90 -4.753088255e-01 -4.753088255e-01 4.92 -4.639662831e-01 -4.639662831e-01 4.94 -4.407588774e-01 -4.407588774e-01 4.96 -3.750048558e-01 -3.750048558e-01 4.98 -2.169318771e-01 -2.169318771e-01 5.00 -2.859595354e-22 -2.858989855e-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 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