# 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 = Ag2AuPt # 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 8.468912559e+02 8.468912559e+02 1.00 7.762269219e+02 7.762269219e+02 1.02 7.120610059e+02 7.120610059e+02 1.04 6.537434008e+02 6.537434008e+02 1.06 6.006962178e+02 6.006962178e+02 1.08 5.524010234e+02 5.524010234e+02 1.10 5.083993195e+02 5.083993195e+02 1.12 4.682768787e+02 4.682768787e+02 1.14 4.316617796e+02 4.316617796e+02 1.16 3.982210491e+02 3.982210491e+02 1.18 3.676541196e+02 3.676541196e+02 1.20 3.396902651e+02 3.396902651e+02 1.22 3.140851084e+02 3.140851084e+02 1.24 2.906205418e+02 2.906205418e+02 1.26 2.690973783e+02 2.690973783e+02 1.28 2.493363762e+02 2.493363762e+02 1.30 2.311746964e+02 2.311746964e+02 1.32 2.144673130e+02 2.144673130e+02 1.34 1.990826241e+02 1.990826241e+02 1.36 1.849008045e+02 1.849008045e+02 1.38 1.718146973e+02 1.718146973e+02 1.40 1.597271709e+02 1.597271709e+02 1.42 1.485494701e+02 1.485494701e+02 1.44 1.382028011e+02 1.382028011e+02 1.46 1.286151336e+02 1.286151336e+02 1.48 1.197213491e+02 1.197213491e+02 1.50 1.114630192e+02 1.114630192e+02 1.52 1.037870973e+02 1.037870973e+02 1.54 9.664527522e+01 9.664527522e+01 1.56 8.999378474e+01 8.999378474e+01 1.58 8.379299434e+01 8.379299434e+01 1.60 7.800789008e+01 7.800789008e+01 1.62 7.260568616e+01 7.260568616e+01 1.64 6.755690089e+01 6.755690089e+01 1.66 6.283511981e+01 6.283511981e+01 1.68 5.841611711e+01 5.841611711e+01 1.70 5.427769595e+01 5.427769595e+01 1.72 5.039948595e+01 5.039948595e+01 1.74 4.676316871e+01 4.676316871e+01 1.76 4.335185338e+01 4.335185338e+01 1.78 4.014962850e+01 4.014962850e+01 1.80 3.714261335e+01 3.714261335e+01 1.82 3.431801867e+01 3.431801867e+01 1.84 3.166386059e+01 3.166386059e+01 1.86 2.916893715e+01 2.916893715e+01 1.88 2.682309897e+01 2.682309897e+01 1.90 2.461982216e+01 2.461982216e+01 1.92 2.251845917e+01 2.251845917e+01 1.94 2.057630267e+01 2.057630267e+01 1.96 1.875316018e+01 1.875316018e+01 1.98 1.704187421e+01 1.704187421e+01 2.00 1.543626909e+01 1.543626909e+01 2.02 1.393042308e+01 1.393042308e+01 2.04 1.251880528e+01 1.251880528e+01 2.06 1.119630063e+01 1.119630063e+01 2.08 9.958073507e+00 9.958073507e+00 2.10 8.799540786e+00 8.799540786e+00 2.12 7.716194860e+00 7.716194860e+00 2.14 6.704276601e+00 6.704276601e+00 2.16 5.760018534e+00 5.760018534e+00 2.18 4.879918349e+00 4.879918349e+00 2.20 4.060761114e+00 4.060761114e+00 2.22 3.299178068e+00 3.299178068e+00 2.24 2.592277334e+00 2.592277334e+00 2.26 1.937250026e+00 1.937250026e+00 2.28 1.331351139e+00 1.331351139e+00 2.30 7.719486923e-01 7.719486923e-01 2.32 2.565091471e-01 2.565091471e-01 2.34 -2.173190401e-01 -2.173190401e-01 2.36 -6.515933896e-01 -6.515933896e-01 2.38 -1.048678770e+00 -1.048678770e+00 2.40 -1.410574898e+00 -1.410574898e+00 2.42 -1.739538807e+00 -1.739538807e+00 2.44 -2.037447739e+00 -2.037447739e+00 2.46 -2.306117145e+00 -2.306117145e+00 2.48 -2.547253264e+00 -2.547253264e+00 2.50 -2.762645436e+00 -2.762645436e+00 2.52 -2.953929491e+00 -2.953929491e+00 2.54 -3.122671410e+00 -3.122671410e+00 2.56 -3.270369246e+00 -3.270369246e+00 2.58 -3.398454637e+00 -3.398454637e+00 2.60 -3.508294177e+00 -3.508294177e+00 2.62 -3.601117407e+00 -3.601117407e+00 2.64 -3.678050697e+00 -3.678050697e+00 2.66 -3.740509818e+00 -3.740509818e+00 2.68 -3.789581859e+00 -3.789581859e+00 2.70 -3.826280320e+00 -3.826280320e+00 2.72 -3.851650516e+00 -3.851650516e+00 2.74 -3.866537746e+00 -3.866537746e+00 2.76 -3.871932716e+00 -3.871932716e+00 2.78 -3.868920960e+00 -3.868920960e+00 2.80 -3.858268706e+00 -3.858268706e+00 2.82 -3.840459140e+00 -3.840459140e+00 2.84 -3.816183416e+00 -3.816183416e+00 2.86 -3.786087009e+00 -3.786087009e+00 2.88 -3.750771276e+00 -3.750771276e+00 2.90 -3.710836704e+00 -3.710836704e+00 2.92 -3.667213937e+00 -3.667213937e+00 2.94 -3.619897609e+00 -3.619897609e+00 2.96 -3.569333956e+00 -3.569333956e+00 2.98 -3.515863575e+00 -3.515863575e+00 3.00 -3.459270151e+00 -3.459270151e+00 3.02 -3.400549755e+00 -3.400549755e+00 3.04 -3.340095869e+00 -3.340095869e+00 3.06 -3.278205957e+00 -3.278205957e+00 3.08 -3.215159279e+00 -3.215159279e+00 3.10 -3.151038404e+00 -3.151038404e+00 3.12 -3.086038130e+00 -3.086038130e+00 3.14 -3.020507278e+00 -3.020507278e+00 3.16 -2.954562501e+00 -2.954562501e+00 3.18 -2.888488749e+00 -2.888488749e+00 3.20 -2.822450984e+00 -2.822450984e+00 3.22 -2.756582407e+00 -2.756582407e+00 3.24 -2.690998493e+00 -2.690998493e+00 3.26 -2.626137832e+00 -2.626137832e+00 3.28 -2.561866311e+00 -2.561866311e+00 3.30 -2.498157245e+00 -2.498157245e+00 3.32 -2.435089051e+00 -2.435089051e+00 3.34 -2.372731595e+00 -2.372731595e+00 3.36 -2.311146385e+00 -2.311146385e+00 3.38 -2.250387786e+00 -2.250387786e+00 3.40 -2.190523530e+00 -2.190523530e+00 3.42 -2.131852522e+00 -2.131852522e+00 3.44 -2.074115805e+00 -2.074115805e+00 3.46 -2.017343178e+00 -2.017343178e+00 3.48 -1.961560428e+00 -1.961560428e+00 3.50 -1.906790894e+00 -1.906790894e+00 3.52 -1.853050529e+00 -1.853050529e+00 3.54 -1.800350319e+00 -1.800350319e+00 3.56 -1.748710783e+00 -1.748710783e+00 3.58 -1.698095113e+00 -1.698095113e+00 3.60 -1.648440935e+00 -1.648440935e+00 3.62 -1.599743553e+00 -1.599743553e+00 3.64 -1.552085359e+00 -1.552085359e+00 3.66 -1.505530361e+00 -1.505530361e+00 3.68 -1.460057769e+00 -1.460057769e+00 3.70 -1.415632909e+00 -1.415632909e+00 3.72 -1.372230106e+00 -1.372230106e+00 3.74 -1.329829572e+00 -1.329829572e+00 3.76 -1.288440907e+00 -1.288440907e+00 3.78 -1.248076683e+00 -1.248076683e+00 3.80 -1.208726542e+00 -1.208726542e+00 3.82 -1.170348481e+00 -1.170348481e+00 3.84 -1.132935246e+00 -1.132935246e+00 3.86 -1.096490377e+00 -1.096490377e+00 3.88 -1.060998373e+00 -1.060998373e+00 3.90 -1.026419592e+00 -1.026419592e+00 3.92 -9.926312657e-01 -9.926312657e-01 3.94 -9.596872960e-01 -9.596872960e-01 3.96 -9.276625910e-01 -9.276625910e-01 3.98 -8.965673469e-01 -8.965673469e-01 4.00 -8.662307993e-01 -8.662307993e-01 4.02 -8.367751194e-01 -8.367751194e-01 4.04 -8.083678580e-01 -8.083678580e-01 4.06 -7.811704641e-01 -7.811704641e-01 4.08 -7.550520420e-01 -7.550520420e-01 4.10 -7.298852891e-01 -7.298852891e-01 4.12 -7.055766780e-01 -7.055766780e-01 4.14 -6.822246167e-01 -6.822246167e-01 4.16 -6.596541891e-01 -6.596541891e-01 4.18 -6.375323656e-01 -6.375323656e-01 4.20 -6.156221137e-01 -6.156221137e-01 4.22 -5.937628151e-01 -5.937628151e-01 4.24 -5.718540289e-01 -5.718540289e-01 4.26 -5.498359350e-01 -5.498359350e-01 4.28 -5.276401946e-01 -5.276401946e-01 4.30 -5.053202410e-01 -5.053202410e-01 4.32 -4.829734911e-01 -4.829734911e-01 4.34 -4.606888624e-01 -4.606888624e-01 4.36 -4.385469171e-01 -4.385469171e-01 4.38 -4.165662437e-01 -4.165662437e-01 4.40 -3.948269967e-01 -3.948269967e-01 4.42 -3.734947714e-01 -3.734947714e-01 4.44 -3.526966887e-01 -3.526966887e-01 4.46 -3.325278055e-01 -3.325278055e-01 4.48 -3.130568284e-01 -3.130568284e-01 4.50 -2.943309167e-01 -2.943309167e-01 4.52 -2.763797112e-01 -2.763797112e-01 4.54 -2.592187087e-01 -2.592187087e-01 4.56 -2.428519835e-01 -2.428519835e-01 4.58 -2.272666402e-01 -2.272666402e-01 4.60 -2.126811915e-01 -2.126811915e-01 4.62 -1.990543835e-01 -1.990543835e-01 4.64 -1.861326323e-01 -1.861326323e-01 4.66 -1.739009282e-01 -1.739009282e-01 4.68 -1.623342333e-01 -1.623342333e-01 4.70 -1.514060990e-01 -1.514060990e-01 4.72 -1.410892644e-01 -1.410892644e-01 4.74 -1.313561113e-01 -1.313561113e-01 4.76 -1.221790255e-01 -1.221790255e-01 4.78 -1.135306807e-01 -1.135306807e-01 4.80 -1.053733903e-01 -1.053733903e-01 4.82 -9.801345930e-02 -9.801345930e-02 4.84 -9.120740314e-02 -9.120740314e-02 4.86 -8.479584870e-02 -8.479584870e-02 4.88 -7.875748924e-02 -7.875748924e-02 4.90 -7.307189836e-02 -7.307189836e-02 4.92 -6.771954495e-02 -6.771954495e-02 4.94 -6.268179633e-02 -6.268179633e-02 4.96 -5.794091083e-02 -5.794091083e-02 4.98 -5.348002318e-02 -5.348002318e-02 5.00 -4.928312421e-02 -4.928312421e-02 5.02 -4.533503676e-02 -4.533503676e-02 5.04 -4.162138811e-02 -4.162138811e-02 5.06 -3.812857937e-02 -3.812857937e-02 5.08 -3.484375428e-02 -3.484375428e-02 5.10 -3.175476710e-02 -3.175476710e-02 5.12 -2.885015054e-02 -2.885015054e-02 5.14 -2.611908331e-02 -2.611908331e-02 5.16 -2.355135805e-02 -2.355135805e-02 5.18 -2.113735020e-02 -2.113735020e-02 5.20 -1.886798779e-02 -1.886798779e-02 5.22 -1.673472227e-02 -1.673472227e-02 5.24 -1.472949992e-02 -1.472949992e-02 5.26 -1.284471986e-02 -1.284471986e-02 5.28 -1.107421117e-02 -1.107421117e-02 5.30 -9.432369156e-03 -9.432369156e-03 5.32 -8.359693741e-03 -8.359693741e-03 5.34 -7.367142127e-03 -7.367142127e-03 5.36 -6.438322864e-03 -6.438322864e-03 5.38 -5.565884030e-03 -5.565884030e-03 5.40 -4.746465264e-03 -4.746465264e-03 5.42 -3.976902630e-03 -3.976902630e-03 5.44 -3.254217282e-03 -3.254217282e-03 5.46 -2.575604820e-03 -2.575604820e-03 5.48 -1.938425298e-03 -1.938425298e-03 5.50 -1.340193789e-03 -1.340193789e-03 5.52 -7.785713715e-04 -7.785713715e-04 5.54 -2.479741015e-04 -2.479741015e-04 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