# 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 = Ag2AuCu # 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 4.836821831e+02 4.836821831e+02 1.00 4.434627466e+02 4.434627466e+02 1.02 4.071855020e+02 4.071855020e+02 1.04 3.744099172e+02 3.744099172e+02 1.06 3.447467946e+02 3.447467946e+02 1.08 3.178523632e+02 3.178523632e+02 1.10 2.934277773e+02 2.934277773e+02 1.12 2.712049202e+02 2.712049202e+02 1.14 2.509466820e+02 2.509466820e+02 1.16 2.324489429e+02 2.324489429e+02 1.18 2.155295566e+02 2.155295566e+02 1.20 2.000283850e+02 2.000283850e+02 1.22 1.857990509e+02 1.857990509e+02 1.24 1.727179002e+02 1.727179002e+02 1.26 1.606711038e+02 1.606711038e+02 1.28 1.495591725e+02 1.495591725e+02 1.30 1.392938387e+02 1.392938387e+02 1.32 1.297955879e+02 1.297955879e+02 1.34 1.209944320e+02 1.209944320e+02 1.36 1.128273068e+02 1.128273068e+02 1.38 1.052387353e+02 1.052387353e+02 1.40 9.818045637e+01 9.818045637e+01 1.42 9.160787404e+01 9.160787404e+01 1.44 8.548132713e+01 8.548132713e+01 1.46 7.976279192e+01 7.976279192e+01 1.48 7.442021824e+01 7.442021824e+01 1.50 6.942660079e+01 6.942660079e+01 1.52 6.475565332e+01 6.475565332e+01 1.54 6.038292899e+01 6.038292899e+01 1.56 5.628784658e+01 5.628784658e+01 1.58 5.245080042e+01 5.245080042e+01 1.60 4.885394120e+01 4.885394120e+01 1.62 4.548030700e+01 4.548030700e+01 1.64 4.231505334e+01 4.231505334e+01 1.66 3.934420506e+01 3.934420506e+01 1.68 3.655552705e+01 3.655552705e+01 1.70 3.393829147e+01 3.393829147e+01 1.72 3.148158448e+01 3.148158448e+01 1.74 2.917558696e+01 2.917558696e+01 1.76 2.701043117e+01 2.701043117e+01 1.78 2.497763033e+01 2.497763033e+01 1.80 2.306983052e+01 2.306983052e+01 1.82 2.127954869e+01 2.127954869e+01 1.84 1.956714267e+01 1.956714267e+01 1.86 1.798966459e+01 1.798966459e+01 1.88 1.650870516e+01 1.650870516e+01 1.90 1.509971789e+01 1.509971789e+01 1.92 1.378425905e+01 1.378425905e+01 1.94 1.254353352e+01 1.254353352e+01 1.96 1.137366375e+01 1.137366375e+01 1.98 1.027038265e+01 1.027038265e+01 2.00 9.231223943e+00 9.231223943e+00 2.02 8.253639718e+00 8.253639718e+00 2.04 7.334807964e+00 7.334807964e+00 2.06 6.472040018e+00 6.472040018e+00 2.08 5.662765611e+00 5.662765611e+00 2.10 4.904521207e+00 4.904521207e+00 2.12 4.194940695e+00 4.194940695e+00 2.14 3.531751647e+00 3.531751647e+00 2.16 2.912392677e+00 2.912392677e+00 2.18 2.334976949e+00 2.334976949e+00 2.20 1.797683245e+00 1.797683245e+00 2.22 1.298319709e+00 1.298319709e+00 2.24 8.351473758e-01 8.351473758e-01 2.26 4.064118860e-01 4.064118860e-01 2.28 1.034118517e-02 1.034118517e-02 2.30 -3.547714491e-01 -3.547714491e-01 2.32 -6.902861606e-01 -6.902861606e-01 2.34 -9.976009857e-01 -9.976009857e-01 2.36 -1.278619088e+00 -1.278619088e+00 2.38 -1.534989263e+00 -1.534989263e+00 2.40 -1.768102410e+00 -1.768102410e+00 2.42 -1.979364579e+00 -1.979364579e+00 2.44 -2.169997945e+00 -2.169997945e+00 2.46 -2.341124216e+00 -2.341124216e+00 2.48 -2.494065901e+00 -2.494065901e+00 2.50 -2.630053208e+00 -2.630053208e+00 2.52 -2.750070527e+00 -2.750070527e+00 2.54 -2.855160264e+00 -2.855160264e+00 2.56 -2.946042969e+00 -2.946042969e+00 2.58 -3.023852686e+00 -3.023852686e+00 2.60 -3.090227208e+00 -3.090227208e+00 2.62 -3.145534242e+00 -3.145534242e+00 2.64 -3.190393237e+00 -3.190393237e+00 2.66 -3.225515191e+00 -3.225515191e+00 2.68 -3.251711786e+00 -3.251711786e+00 2.70 -3.269677622e+00 -3.269677622e+00 2.72 -3.279969284e+00 -3.279969284e+00 2.74 -3.283291031e+00 -3.283291031e+00 2.76 -3.280237099e+00 -3.280237099e+00 2.78 -3.271382079e+00 -3.271382079e+00 2.80 -3.257288489e+00 -3.257288489e+00 2.82 -3.238349086e+00 -3.238349086e+00 2.84 -3.215014519e+00 -3.215014519e+00 2.86 -3.187705783e+00 -3.187705783e+00 2.88 -3.156811263e+00 -3.156811263e+00 2.90 -3.122070203e+00 -3.122070203e+00 2.92 -3.084673156e+00 -3.084673156e+00 2.94 -3.044734802e+00 -3.044734802e+00 2.96 -3.002552239e+00 -3.002552239e+00 2.98 -2.958397350e+00 -2.958397350e+00 3.00 -2.912522113e+00 -2.912522113e+00 3.02 -2.865160905e+00 -2.865160905e+00 3.04 -2.816706179e+00 -2.816706179e+00 3.06 -2.767414192e+00 -2.767414192e+00 3.08 -2.717127299e+00 -2.717127299e+00 3.10 -2.665833773e+00 -2.665833773e+00 3.12 -2.613867166e+00 -2.613867166e+00 3.14 -2.561439304e+00 -2.561439304e+00 3.16 -2.508743347e+00 -2.508743347e+00 3.18 -2.455889152e+00 -2.455889152e+00 3.20 -2.402986540e+00 -2.402986540e+00 3.22 -2.350134896e+00 -2.350134896e+00 3.24 -2.297424759e+00 -2.297424759e+00 3.26 -2.244938487e+00 -2.244938487e+00 3.28 -2.192750802e+00 -2.192750802e+00 3.30 -2.140929227e+00 -2.140929227e+00 3.32 -2.089534673e+00 -2.089534673e+00 3.34 -2.038622194e+00 -2.038622194e+00 3.36 -1.988240953e+00 -1.988240953e+00 3.38 -1.938432697e+00 -1.938432697e+00 3.40 -1.889268221e+00 -1.889268221e+00 3.42 -1.841033229e+00 -1.841033229e+00 3.44 -1.793421381e+00 -1.793421381e+00 3.46 -1.746411951e+00 -1.746411951e+00 3.48 -1.699976953e+00 -1.699976953e+00 3.50 -1.654229479e+00 -1.654229479e+00 3.52 -1.609270139e+00 -1.609270139e+00 3.54 -1.565097869e+00 -1.565097869e+00 3.56 -1.521712725e+00 -1.521712725e+00 3.58 -1.479125853e+00 -1.479125853e+00 3.60 -1.437342447e+00 -1.437342447e+00 3.62 -1.396373391e+00 -1.396373391e+00 3.64 -1.356226244e+00 -1.356226244e+00 3.66 -1.316900599e+00 -1.316900599e+00 3.68 -1.278376218e+00 -1.278376218e+00 3.70 -1.240631880e+00 -1.240631880e+00 3.72 -1.203665090e+00 -1.203665090e+00 3.74 -1.167488478e+00 -1.167488478e+00 3.76 -1.132105227e+00 -1.132105227e+00 3.78 -1.097513943e+00 -1.097513943e+00 3.80 -1.063702105e+00 -1.063702105e+00 3.82 -1.030660354e+00 -1.030660354e+00 3.84 -9.983814068e-01 -9.983814068e-01 3.86 -9.668474697e-01 -9.668474697e-01 3.88 -9.360667172e-01 -9.360667172e-01 3.90 -9.059705542e-01 -9.059705542e-01 3.92 -8.765504068e-01 -8.765504068e-01 3.94 -8.478472726e-01 -8.478472726e-01 3.96 -8.197044540e-01 -8.197044540e-01 3.98 -7.922323084e-01 -7.922323084e-01 4.00 -7.655848437e-01 -7.655848437e-01 4.02 -7.398990833e-01 -7.398990833e-01 4.04 -7.152974953e-01 -7.152974953e-01 4.06 -6.917380510e-01 -6.917380510e-01 4.08 -6.690949236e-01 -6.690949236e-01 4.10 -6.473985369e-01 -6.473985369e-01 4.12 -6.265117141e-01 -6.265117141e-01 4.14 -6.060601726e-01 -6.060601726e-01 4.16 -5.857733395e-01 -5.857733395e-01 4.18 -5.654646245e-01 -5.654646245e-01 4.20 -5.450139619e-01 -5.450139619e-01 4.22 -5.243533567e-01 -5.243533567e-01 4.24 -5.034330780e-01 -5.034330780e-01 4.26 -4.822533448e-01 -4.822533448e-01 4.28 -4.608412911e-01 -4.608412911e-01 4.30 -4.400257787e-01 -4.400257787e-01 4.32 -4.195041344e-01 -4.195041344e-01 4.34 -3.989705567e-01 -3.989705567e-01 4.36 -3.785306679e-01 -3.785306679e-01 4.38 -3.583641860e-01 -3.583641860e-01 4.40 -3.386109659e-01 -3.386109659e-01 4.42 -3.193777645e-01 -3.193777645e-01 4.44 -3.007439936e-01 -3.007439936e-01 4.46 -2.827665714e-01 -2.827665714e-01 4.48 -2.654840122e-01 -2.654840122e-01 4.50 -2.489198541e-01 -2.489198541e-01 4.52 -2.330855373e-01 -2.330855373e-01 4.54 -2.179828112e-01 -2.179828112e-01 4.56 -2.036057432e-01 -2.036057432e-01 4.58 -1.899423897e-01 -1.899423897e-01 4.60 -1.769761773e-01 -1.769761773e-01 4.62 -1.646870473e-01 -1.646870473e-01 4.64 -1.530523951e-01 -1.530523951e-01 4.66 -1.420478425e-01 -1.420478425e-01 4.68 -1.316478618e-01 -1.316478618e-01 4.70 -1.218262816e-01 -1.218262816e-01 4.72 -1.125566932e-01 -1.125566932e-01 4.74 -1.038127728e-01 -1.038127728e-01 4.76 -9.556853703e-02 -9.556853703e-02 4.78 -8.779853569e-02 -8.779853569e-02 4.80 -8.046885513e-02 -8.046885513e-02 4.82 -7.383497146e-02 -7.383497146e-02 4.84 -6.768971710e-02 -6.768971710e-02 4.86 -6.189750136e-02 -6.189750136e-02 4.88 -5.643904846e-02 -5.643904846e-02 4.90 -5.129594074e-02 -5.129594074e-02 4.92 -4.645018559e-02 -4.645018559e-02 4.94 -4.183374543e-02 -4.183374543e-02 4.96 -3.822429806e-02 -3.822429806e-02 4.98 -3.554555229e-02 -3.554555229e-02 5.00 -3.297753813e-02 -3.297753813e-02 5.02 -3.056137737e-02 -3.056137737e-02 5.04 -2.828861163e-02 -2.828861163e-02 5.06 -2.615089356e-02 -2.615089356e-02 5.08 -2.414034892e-02 -2.414034892e-02 5.10 -2.224955142e-02 -2.224955142e-02 5.12 -2.047149879e-02 -2.047149879e-02 5.14 -1.879958952e-02 -1.879958952e-02 5.16 -1.722760075e-02 -1.722760075e-02 5.18 -1.574966727e-02 -1.574966727e-02 5.20 -1.436026166e-02 -1.436026166e-02 5.22 -1.305417544e-02 -1.305417544e-02 5.24 -1.182650098e-02 -1.182650098e-02 5.26 -1.067261447e-02 -1.067261447e-02 5.28 -9.588159793e-03 -9.588159793e-03 5.30 -8.569033450e-03 -8.569033450e-03 5.32 -7.611370143e-03 -7.611370143e-03 5.34 -6.711529085e-03 -6.711529085e-03 5.36 -5.866081161e-03 -5.866081161e-03 5.38 -5.071796841e-03 -5.071796841e-03 5.40 -4.325634828e-03 -4.325634828e-03 5.42 -3.624731197e-03 -3.624731197e-03 5.44 -2.966389176e-03 -2.966389176e-03 5.46 -2.348069547e-03 -2.348069547e-03 5.48 -1.767381635e-03 -1.767381635e-03 5.50 -1.222074808e-03 -1.222074808e-03 5.52 -7.100303404e-04 -7.100303404e-04 5.54 -2.261682987e-04 -2.261682987e-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