# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuCuPd2 # 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 7.171146434e+02 7.171146434e+02 1.00 6.546707552e+02 6.546707552e+02 1.02 5.983381914e+02 5.983381914e+02 1.04 5.474611896e+02 5.474611896e+02 1.06 5.014598809e+02 5.014598809e+02 1.08 4.598143253e+02 4.598143253e+02 1.10 4.220680194e+02 4.220680194e+02 1.12 3.878133884e+02 3.878133884e+02 1.14 3.566871504e+02 3.566871504e+02 1.16 3.283663713e+02 3.283663713e+02 1.18 3.025660165e+02 3.025660165e+02 1.20 2.790320572e+02 2.790320572e+02 1.22 2.575356511e+02 2.575356511e+02 1.24 2.378754142e+02 2.378754142e+02 1.26 2.198704914e+02 2.198704914e+02 1.28 2.033604489e+02 2.033604489e+02 1.30 1.882007314e+02 1.882007314e+02 1.32 1.742635883e+02 1.742635883e+02 1.34 1.614341731e+02 1.614341731e+02 1.36 1.496095619e+02 1.496095619e+02 1.38 1.386975277e+02 1.386975277e+02 1.40 1.286169370e+02 1.286169370e+02 1.42 1.192936392e+02 1.192936392e+02 1.44 1.106623407e+02 1.106623407e+02 1.46 1.026628316e+02 1.026628316e+02 1.48 9.524135464e+01 9.524135464e+01 1.50 8.835025609e+01 8.835025609e+01 1.52 8.194590854e+01 8.194590854e+01 1.54 7.598848210e+01 7.598848210e+01 1.56 7.044257473e+01 7.044257473e+01 1.58 6.527602492e+01 6.527602492e+01 1.60 6.046023811e+01 6.046023811e+01 1.62 5.596832295e+01 5.596832295e+01 1.64 5.177617928e+01 5.177617928e+01 1.66 4.786180296e+01 4.786180296e+01 1.68 4.420503339e+01 4.420503339e+01 1.70 4.078750876e+01 4.078750876e+01 1.72 3.759229299e+01 3.759229299e+01 1.74 3.460382584e+01 3.460382584e+01 1.76 3.180719709e+01 3.180719709e+01 1.78 2.918893657e+01 2.918893657e+01 1.80 2.673868322e+01 2.673868322e+01 1.82 2.444033445e+01 2.444033445e+01 1.84 2.228031654e+01 2.228031654e+01 1.86 2.026804324e+01 2.026804324e+01 1.88 1.838135984e+01 1.838135984e+01 1.90 1.661366667e+01 1.661366667e+01 1.92 1.495904154e+01 1.495904154e+01 1.94 1.341181483e+01 1.341181483e+01 1.96 1.196620550e+01 1.196620550e+01 1.98 1.061679449e+01 1.061679449e+01 2.00 9.358599308e+00 9.358599308e+00 2.02 8.186890452e+00 8.186890452e+00 2.04 7.097051678e+00 7.097051678e+00 2.06 6.084511068e+00 6.084511068e+00 2.08 5.144910772e+00 5.144910772e+00 2.10 4.274407181e+00 4.274407181e+00 2.12 3.468811847e+00 3.468811847e+00 2.14 2.724548993e+00 2.724548993e+00 2.16 2.037920876e+00 2.037920876e+00 2.18 1.405682171e+00 1.405682171e+00 2.20 8.246966674e-01 8.246966674e-01 2.22 2.925188162e-01 2.925188162e-01 2.24 -1.946383794e-01 -1.946383794e-01 2.26 -6.395436528e-01 -6.395436528e-01 2.28 -1.044858921e+00 -1.044858921e+00 2.30 -1.413150892e+00 -1.413150892e+00 2.32 -1.746883838e+00 -1.746883838e+00 2.34 -2.048114588e+00 -2.048114588e+00 2.36 -2.318638229e+00 -2.318638229e+00 2.38 -2.560714892e+00 -2.560714892e+00 2.40 -2.776509658e+00 -2.776509658e+00 2.42 -2.967877584e+00 -2.967877584e+00 2.44 -3.136314008e+00 -3.136314008e+00 2.46 -3.283490541e+00 -3.283490541e+00 2.48 -3.411153673e+00 -3.411153673e+00 2.50 -3.520869123e+00 -3.520869123e+00 2.52 -3.613806994e+00 -3.613806994e+00 2.54 -3.691236111e+00 -3.691236111e+00 2.56 -3.754344741e+00 -3.754344741e+00 2.58 -3.804228864e+00 -3.804228864e+00 2.60 -3.842682862e+00 -3.842682862e+00 2.62 -3.870129822e+00 -3.870129822e+00 2.64 -3.886947197e+00 -3.886947197e+00 2.66 -3.894363102e+00 -3.894363102e+00 2.68 -3.893353711e+00 -3.893353711e+00 2.70 -3.884490436e+00 -3.884490436e+00 2.72 -3.868475164e+00 -3.868475164e+00 2.74 -3.845964645e+00 -3.845964645e+00 2.76 -3.817565663e+00 -3.817565663e+00 2.78 -3.784444428e+00 -3.784444428e+00 2.80 -3.746722889e+00 -3.746722889e+00 2.82 -3.704078937e+00 -3.704078937e+00 2.84 -3.657641099e+00 -3.657641099e+00 2.86 -3.607811553e+00 -3.607811553e+00 2.88 -3.554987001e+00 -3.554987001e+00 2.90 -3.499558487e+00 -3.499558487e+00 2.92 -3.442092697e+00 -3.442092697e+00 2.94 -3.382636815e+00 -3.382636815e+00 2.96 -3.321485400e+00 -3.321485400e+00 2.98 -3.258907963e+00 -3.258907963e+00 3.00 -3.195169352e+00 -3.195169352e+00 3.02 -3.130326205e+00 -3.130326205e+00 3.04 -3.063751853e+00 -3.063751853e+00 3.06 -2.996571852e+00 -2.996571852e+00 3.08 -2.929122225e+00 -2.929122225e+00 3.10 -2.861556097e+00 -2.861556097e+00 3.12 -2.794023538e+00 -2.794023538e+00 3.14 -2.726658398e+00 -2.726658398e+00 3.16 -2.659582234e+00 -2.659582234e+00 3.18 -2.592905155e+00 -2.592905155e+00 3.20 -2.526726618e+00 -2.526726618e+00 3.22 -2.461136192e+00 -2.461136192e+00 3.24 -2.396202937e+00 -2.396202937e+00 3.26 -2.332589145e+00 -2.332589145e+00 3.28 -2.269942496e+00 -2.269942496e+00 3.30 -2.208115405e+00 -2.208115405e+00 3.32 -2.147159146e+00 -2.147159146e+00 3.34 -2.087119360e+00 -2.087119360e+00 3.36 -2.028034217e+00 -2.028034217e+00 3.38 -1.969947989e+00 -1.969947989e+00 3.40 -1.912892391e+00 -1.912892391e+00 3.42 -1.857022628e+00 -1.857022628e+00 3.44 -1.802158048e+00 -1.802158048e+00 3.46 -1.748263197e+00 -1.748263197e+00 3.48 -1.695366874e+00 -1.695366874e+00 3.50 -1.643561864e+00 -1.643561864e+00 3.52 -1.592887713e+00 -1.592887713e+00 3.54 -1.543331800e+00 -1.543331800e+00 3.56 -1.494890560e+00 -1.494890560e+00 3.58 -1.447567599e+00 -1.447567599e+00 3.60 -1.401348234e+00 -1.401348234e+00 3.62 -1.356230156e+00 -1.356230156e+00 3.64 -1.312220472e+00 -1.312220472e+00 3.66 -1.269260292e+00 -1.269260292e+00 3.68 -1.227259019e+00 -1.227259019e+00 3.70 -1.186151155e+00 -1.186151155e+00 3.72 -1.145975119e+00 -1.145975119e+00 3.74 -1.106793595e+00 -1.106793595e+00 3.76 -1.068657661e+00 -1.068657661e+00 3.78 -1.031565051e+00 -1.031565051e+00 3.80 -9.954934517e-01 -9.954934517e-01 3.82 -9.604252602e-01 -9.604252602e-01 3.84 -9.263288445e-01 -9.263288445e-01 3.86 -8.931774063e-01 -8.931774063e-01 3.88 -8.609578112e-01 -8.609578112e-01 3.90 -8.296629585e-01 -8.296629585e-01 3.92 -7.992857756e-01 -7.992857756e-01 3.94 -7.697832924e-01 -7.697832924e-01 3.96 -7.410784539e-01 -7.410784539e-01 3.98 -7.131303958e-01 -7.131303958e-01 4.00 -6.859913346e-01 -6.859913346e-01 4.02 -6.597055023e-01 -6.597055023e-01 4.04 -6.343033761e-01 -6.343033761e-01 4.06 -6.098038861e-01 -6.098038861e-01 4.08 -5.862203078e-01 -5.862203078e-01 4.10 -5.636150234e-01 -5.636150234e-01 4.12 -5.419901037e-01 -5.419901037e-01 4.14 -5.211856668e-01 -5.211856668e-01 4.16 -5.010133836e-01 -5.010133836e-01 4.18 -4.813308251e-01 -4.813308251e-01 4.20 -4.620329444e-01 -4.620329444e-01 4.22 -4.430448940e-01 -4.430448940e-01 4.24 -4.243159971e-01 -4.243159971e-01 4.26 -4.058144713e-01 -4.058144713e-01 4.28 -3.874963726e-01 -3.874963726e-01 4.30 -3.699664301e-01 -3.699664301e-01 4.32 -3.529254110e-01 -3.529254110e-01 4.34 -3.360857323e-01 -3.360857323e-01 4.36 -3.194509701e-01 -3.194509701e-01 4.38 -3.030773287e-01 -3.030773287e-01 4.40 -2.870427245e-01 -2.870427245e-01 4.42 -2.714137883e-01 -2.714137883e-01 4.44 -2.562409198e-01 -2.562409198e-01 4.46 -2.415609683e-01 -2.415609683e-01 4.48 -2.273995231e-01 -2.273995231e-01 4.50 -2.137728596e-01 -2.137728596e-01 4.52 -2.006895972e-01 -2.006895972e-01 4.54 -1.881521046e-01 -1.881521046e-01 4.56 -1.761575502e-01 -1.761575502e-01 4.58 -1.646873907e-01 -1.646873907e-01 4.60 -1.540678701e-01 -1.540678701e-01 4.62 -1.442542608e-01 -1.442542608e-01 4.64 -1.348936181e-01 -1.348936181e-01 4.66 -1.259830707e-01 -1.259830707e-01 4.68 -1.175073005e-01 -1.175073005e-01 4.70 -1.094503687e-01 -1.094503687e-01 4.72 -1.017960072e-01 -1.017960072e-01 4.74 -9.452781744e-02 -9.452781744e-02 4.76 -8.762943363e-02 -8.762943363e-02 4.78 -8.108465114e-02 -8.108465114e-02 4.80 -7.487441064e-02 -7.487441064e-02 4.82 -6.907861240e-02 -6.907861240e-02 4.84 -6.361961681e-02 -6.361961681e-02 4.86 -5.844392945e-02 -5.844392945e-02 4.88 -5.353789555e-02 -5.353789555e-02 4.90 -4.888834726e-02 -4.888834726e-02 4.92 -4.448237421e-02 -4.448237421e-02 4.94 -4.027901856e-02 -4.027901856e-02 4.96 -3.671265037e-02 -3.671265037e-02 4.98 -3.374037019e-02 -3.374037019e-02 5.00 -3.089897578e-02 -3.089897578e-02 5.02 -2.820866646e-02 -2.820866646e-02 5.04 -2.566185684e-02 -2.566185684e-02 5.06 -2.325111081e-02 -2.325111081e-02 5.08 -2.096934827e-02 -2.096934827e-02 5.10 -1.880983265e-02 -1.880983265e-02 5.12 -1.676615823e-02 -1.676615823e-02 5.14 -1.483223704e-02 -1.483223704e-02 5.16 -1.300228568e-02 -1.300228568e-02 5.18 -1.127081237e-02 -1.127081237e-02 5.20 -9.632604216e-03 -9.632604216e-03 5.22 -8.082714704e-03 -8.082714704e-03 5.24 -6.616451244e-03 -6.616451244e-03 5.26 -5.229337761e-03 -5.229337761e-03 5.28 -3.918814793e-03 -3.918814793e-03 5.30 -2.716877084e-03 -2.716877084e-03 5.32 -2.384677136e-03 -2.384677136e-03 5.34 -2.098099035e-03 -2.098099035e-03 5.36 -1.834638273e-03 -1.834638273e-03 5.38 -1.586892492e-03 -1.586892492e-03 5.40 -1.353956210e-03 -1.353956210e-03 5.42 -1.134974080e-03 -1.134974080e-03 5.44 -9.291382256e-04 -9.291382256e-04 5.46 -7.356857276e-04 -7.356857276e-04 5.48 -5.538962422e-04 -5.538962422e-04 5.50 -3.830897424e-04 -3.830897424e-04 5.52 -2.226243399e-04 -2.226243399e-04 5.54 -7.092660799e-05 -7.092660799e-05 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 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