# 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 = Ag2AuPd # 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 7.331319494e+02 7.331319494e+02 1.00 6.716395764e+02 6.716395764e+02 1.02 6.160330354e+02 6.160330354e+02 1.04 5.656896927e+02 5.656896927e+02 1.06 5.200579504e+02 5.200579504e+02 1.08 4.786446223e+02 4.786446223e+02 1.10 4.410168481e+02 4.410168481e+02 1.12 4.067856903e+02 4.067856903e+02 1.14 3.756043431e+02 3.756043431e+02 1.16 3.471651434e+02 3.471651434e+02 1.18 3.211922967e+02 3.211922967e+02 1.20 2.974397635e+02 2.974397635e+02 1.22 2.756874235e+02 2.756874235e+02 1.24 2.557411383e+02 2.557411383e+02 1.26 2.374251794e+02 2.374251794e+02 1.28 2.205829785e+02 2.205829785e+02 1.30 2.050733475e+02 2.050733475e+02 1.32 1.907722975e+02 1.907722975e+02 1.34 1.775680970e+02 1.775680970e+02 1.36 1.653597522e+02 1.653597522e+02 1.38 1.540580400e+02 1.540580400e+02 1.40 1.435825574e+02 1.435825574e+02 1.42 1.338601593e+02 1.338601593e+02 1.44 1.248267797e+02 1.248267797e+02 1.46 1.164238094e+02 1.164238094e+02 1.48 1.085986463e+02 1.085986463e+02 1.50 1.013045458e+02 1.013045458e+02 1.52 9.449902955e+01 9.449902955e+01 1.54 8.814341414e+01 8.814341414e+01 1.56 8.220266865e+01 8.220266865e+01 1.58 7.664516570e+01 7.664516570e+01 1.60 7.144325309e+01 7.144325309e+01 1.62 6.657058795e+01 6.657058795e+01 1.64 6.200351774e+01 6.200351774e+01 1.66 5.772102093e+01 5.772102093e+01 1.68 5.370360268e+01 5.370360268e+01 1.70 4.993326000e+01 4.993326000e+01 1.72 4.639335549e+01 4.639335549e+01 1.74 4.306888486e+01 4.306888486e+01 1.76 3.994589194e+01 3.994589194e+01 1.78 3.701097235e+01 3.701097235e+01 1.80 3.425258676e+01 3.425258676e+01 1.82 3.165999951e+01 3.165999951e+01 1.84 2.922298848e+01 2.922298848e+01 1.86 2.693187256e+01 2.693187256e+01 1.88 2.474562067e+01 2.474562067e+01 1.90 2.271627692e+01 2.271627692e+01 1.92 2.081207399e+01 2.081207399e+01 1.94 1.902300618e+01 1.902300618e+01 1.96 1.734270520e+01 1.734270520e+01 1.98 1.576497805e+01 1.576497805e+01 2.00 1.428448550e+01 1.428448550e+01 2.02 1.289602934e+01 1.289602934e+01 2.04 1.159470262e+01 1.159470262e+01 2.06 1.037590959e+01 1.037590959e+01 2.08 9.235277188e+00 9.235277188e+00 2.10 8.168653046e+00 8.168653046e+00 2.12 7.171816846e+00 7.171816846e+00 2.14 6.241340646e+00 6.241340646e+00 2.16 5.373723201e+00 5.373723201e+00 2.18 4.565692805e+00 4.565692805e+00 2.20 3.814243585e+00 3.814243585e+00 2.22 3.116175772e+00 3.116175772e+00 2.24 2.468765448e+00 2.468765448e+00 2.26 1.869353788e+00 1.869353788e+00 2.28 1.315333013e+00 1.315333013e+00 2.30 8.041989366e-01 8.041989366e-01 2.32 3.335413587e-01 3.335413587e-01 2.34 -9.885413702e-02 -9.885413702e-02 2.36 -4.949854044e-01 -4.949854044e-01 2.38 -8.571404141e-01 -8.571404141e-01 2.40 -1.187298006e+00 -1.187298006e+00 2.42 -1.487418597e+00 -1.487418597e+00 2.44 -1.759232387e+00 -1.759232387e+00 2.46 -2.004252383e+00 -2.004252383e+00 2.48 -2.224131266e+00 -2.224131266e+00 2.50 -2.420678922e+00 -2.420678922e+00 2.52 -2.595409195e+00 -2.595409195e+00 2.54 -2.749765699e+00 -2.749765699e+00 2.56 -2.885123976e+00 -2.885123976e+00 2.58 -3.002793436e+00 -3.002793436e+00 2.60 -3.104019210e+00 -3.104019210e+00 2.62 -3.189983887e+00 -3.189983887e+00 2.64 -3.261784223e+00 -3.261784223e+00 2.66 -3.320515295e+00 -3.320515295e+00 2.68 -3.367251726e+00 -3.367251726e+00 2.70 -3.402876349e+00 -3.402876349e+00 2.72 -3.428087308e+00 -3.428087308e+00 2.74 -3.443723268e+00 -3.443723268e+00 2.76 -3.450793477e+00 -3.450793477e+00 2.78 -3.450324066e+00 -3.450324066e+00 2.80 -3.442964418e+00 -3.442964418e+00 2.82 -3.429105701e+00 -3.429105701e+00 2.84 -3.409362942e+00 -3.409362942e+00 2.86 -3.384310834e+00 -3.384310834e+00 2.88 -3.354485171e+00 -3.354485171e+00 2.90 -3.320423001e+00 -3.320423001e+00 2.92 -3.282969784e+00 -3.282969784e+00 2.94 -3.242104576e+00 -3.242104576e+00 2.96 -3.198228645e+00 -3.198228645e+00 2.98 -3.151713485e+00 -3.151713485e+00 3.00 -3.102902462e+00 -3.102902462e+00 3.02 -3.052112505e+00 -3.052112505e+00 3.04 -2.999632387e+00 -2.999632387e+00 3.06 -2.945768801e+00 -2.945768801e+00 3.08 -2.890061196e+00 -2.890061196e+00 3.10 -2.832904886e+00 -2.832904886e+00 3.12 -2.774967843e+00 -2.774967843e+00 3.14 -2.716516163e+00 -2.716516163e+00 3.16 -2.657768293e+00 -2.657768293e+00 3.18 -2.598869068e+00 -2.598869068e+00 3.20 -2.539957417e+00 -2.539957417e+00 3.22 -2.481158301e+00 -2.481158301e+00 3.24 -2.422578845e+00 -2.422578845e+00 3.26 -2.364613429e+00 -2.364613429e+00 3.28 -2.307147742e+00 -2.307147742e+00 3.30 -2.250161782e+00 -2.250161782e+00 3.32 -2.193728606e+00 -2.193728606e+00 3.34 -2.137913782e+00 -2.137913782e+00 3.36 -2.082774810e+00 -2.082774810e+00 3.38 -2.028362513e+00 -2.028362513e+00 3.40 -1.974742498e+00 -1.974742498e+00 3.42 -1.922215658e+00 -1.922215658e+00 3.44 -1.870515832e+00 -1.870515832e+00 3.46 -1.819671523e+00 -1.819671523e+00 3.48 -1.769708298e+00 -1.769708298e+00 3.50 -1.720645705e+00 -1.720645705e+00 3.52 -1.672500247e+00 -1.672500247e+00 3.54 -1.625286609e+00 -1.625286609e+00 3.56 -1.579015973e+00 -1.579015973e+00 3.58 -1.533689771e+00 -1.533689771e+00 3.60 -1.489313838e+00 -1.489313838e+00 3.62 -1.445887560e+00 -1.445887560e+00 3.64 -1.403367058e+00 -1.403367058e+00 3.66 -1.361715015e+00 -1.361715015e+00 3.68 -1.320932491e+00 -1.320932491e+00 3.70 -1.281048148e+00 -1.281048148e+00 3.72 -1.242086045e+00 -1.242086045e+00 3.74 -1.204051191e+00 -1.204051191e+00 3.76 -1.166943242e+00 -1.166943242e+00 3.78 -1.130747668e+00 -1.130747668e+00 3.80 -1.095452650e+00 -1.095452650e+00 3.82 -1.061033507e+00 -1.061033507e+00 3.84 -1.027488914e+00 -1.027488914e+00 3.86 -9.947982921e-01 -9.947982921e-01 3.88 -9.629483026e-01 -9.629483026e-01 3.90 -9.319257316e-01 -9.319257316e-01 3.92 -9.016392348e-01 -9.016392348e-01 3.94 -8.721340652e-01 -8.721340652e-01 3.96 -8.434301912e-01 -8.434301912e-01 3.98 -8.153635651e-01 -8.153635651e-01 4.00 -7.880411940e-01 -7.880411940e-01 4.02 -7.615897303e-01 -7.615897303e-01 4.04 -7.361298724e-01 -7.361298724e-01 4.06 -7.117783411e-01 -7.117783411e-01 4.08 -6.884264696e-01 -6.884264696e-01 4.10 -6.659698312e-01 -6.659698312e-01 4.12 -6.444259320e-01 -6.444259320e-01 4.14 -6.237679040e-01 -6.237679040e-01 4.16 -6.036631350e-01 -6.036631350e-01 4.18 -5.838589697e-01 -5.838589697e-01 4.20 -5.641768475e-01 -5.641768475e-01 4.22 -5.444972808e-01 -5.444972808e-01 4.24 -5.247473731e-01 -5.247473731e-01 4.26 -5.048871742e-01 -5.048871742e-01 4.28 -4.848650654e-01 -4.848650654e-01 4.30 -4.647279663e-01 -4.647279663e-01 4.32 -4.445575317e-01 -4.445575317e-01 4.34 -4.244287633e-01 -4.244287633e-01 4.36 -4.044051317e-01 -4.044051317e-01 4.38 -3.844819707e-01 -3.844819707e-01 4.40 -3.647826050e-01 -3.647826050e-01 4.42 -3.454470383e-01 -3.454470383e-01 4.44 -3.265831783e-01 -3.265831783e-01 4.46 -3.082723167e-01 -3.082723167e-01 4.48 -2.905737622e-01 -2.905737622e-01 4.50 -2.735287516e-01 -2.735287516e-01 4.52 -2.571637446e-01 -2.571637446e-01 4.54 -2.414931952e-01 -2.414931952e-01 4.56 -2.265217649e-01 -2.265217649e-01 4.58 -2.122370589e-01 -2.122370589e-01 4.60 -1.988986457e-01 -1.988986457e-01 4.62 -1.864663217e-01 -1.864663217e-01 4.64 -1.746521792e-01 -1.746521792e-01 4.66 -1.634465863e-01 -1.634465863e-01 4.68 -1.528287742e-01 -1.528287742e-01 4.70 -1.427766405e-01 -1.427766405e-01 4.72 -1.332672707e-01 -1.332672707e-01 4.74 -1.242773305e-01 -1.242773305e-01 4.76 -1.157833803e-01 -1.157833803e-01 4.78 -1.077621261e-01 -1.077621261e-01 4.80 -1.001814708e-01 -1.001814708e-01 4.82 -9.329870086e-02 -9.329870086e-02 4.84 -8.690839754e-02 -8.690839754e-02 4.86 -8.087584896e-02 -8.087584896e-02 4.88 -7.518248579e-02 -7.518248579e-02 4.90 -6.981045010e-02 -6.981045010e-02 4.92 -6.474261502e-02 -6.474261502e-02 4.94 -5.996259369e-02 -5.996259369e-02 4.96 -5.545473865e-02 -5.545473865e-02 4.98 -5.120413456e-02 -5.120413456e-02 5.00 -4.719658549e-02 -4.719658549e-02 5.02 -4.341859844e-02 -4.341859844e-02 5.04 -3.985736344e-02 -3.985736344e-02 5.06 -3.650073056e-02 -3.650073056e-02 5.08 -3.333718597e-02 -3.333718597e-02 5.10 -3.035582694e-02 -3.035582694e-02 5.12 -2.754633634e-02 -2.754633634e-02 5.14 -2.489895668e-02 -2.489895668e-02 5.16 -2.240446406e-02 -2.240446406e-02 5.18 -2.005414273e-02 -2.005414273e-02 5.20 -1.783976020e-02 -1.783976020e-02 5.22 -1.575354302e-02 -1.575354302e-02 5.24 -1.378815291e-02 -1.378815291e-02 5.26 -1.193664673e-02 -1.193664673e-02 5.28 -1.019361343e-02 -1.019361343e-02 5.30 -8.577246067e-03 -8.577246067e-03 5.32 -7.598666913e-03 -7.598666913e-03 5.34 -6.696640285e-03 -6.696640285e-03 5.36 -5.853195312e-03 -5.853195312e-03 5.38 -5.060760020e-03 -5.060760020e-03 5.40 -4.316305869e-03 -4.316305869e-03 5.42 -3.616980552e-03 -3.616980552e-03 5.44 -2.960097881e-03 -2.960097881e-03 5.46 -2.343128290e-03 -2.343128290e-03 5.48 -1.763689908e-03 -1.763689908e-03 5.50 -1.219540136e-03 -1.219540136e-03 5.52 -7.085675865e-04 -7.085675865e-04 5.54 -2.257053536e-04 -2.257053536e-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 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