# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AuTaZr2 # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 4.305194039e+02 4.305194039e+02 1.30 4.011353195e+02 4.011353195e+02 1.32 3.738388993e+02 3.738388993e+02 1.34 3.484633191e+02 3.484633191e+02 1.36 3.248567950e+02 3.248567950e+02 1.38 3.028818989e+02 3.028818989e+02 1.40 2.824143241e+02 2.824143241e+02 1.42 2.633416690e+02 2.633416690e+02 1.44 2.455624174e+02 2.455624174e+02 1.46 2.289844379e+02 2.289844379e+02 1.48 2.135231710e+02 2.135231710e+02 1.50 1.991003347e+02 1.991003347e+02 1.52 1.856432228e+02 1.856432228e+02 1.54 1.730839320e+02 1.730839320e+02 1.56 1.613587170e+02 1.613587170e+02 1.58 1.504075492e+02 1.504075492e+02 1.60 1.401741568e+02 1.401741568e+02 1.62 1.306062608e+02 1.306062608e+02 1.64 1.216558773e+02 1.216558773e+02 1.66 1.132792983e+02 1.132792983e+02 1.68 1.054368562e+02 1.054368562e+02 1.70 9.809252066e+01 9.809252066e+01 1.72 9.121334872e+01 9.121334872e+01 1.74 8.476893211e+01 8.476893211e+01 1.76 7.873097466e+01 7.873097466e+01 1.78 7.307303498e+01 7.307303498e+01 1.80 6.777038560e+01 6.777038560e+01 1.82 6.279988307e+01 6.279988307e+01 1.84 5.813997102e+01 5.813997102e+01 1.86 5.377074678e+01 5.377074678e+01 1.88 4.967391081e+01 4.967391081e+01 1.90 4.583255677e+01 4.583255677e+01 1.92 4.223090502e+01 4.223090502e+01 1.94 3.885399656e+01 3.885399656e+01 1.96 3.568757600e+01 3.568757600e+01 1.98 3.271804177e+01 3.271804177e+01 2.00 2.993247568e+01 2.993247568e+01 2.02 2.731965203e+01 2.731965203e+01 2.04 2.487203242e+01 2.487203242e+01 2.06 2.258560661e+01 2.258560661e+01 2.08 2.045294764e+01 2.045294764e+01 2.10 1.846397676e+01 1.846397676e+01 2.12 1.660942842e+01 1.660942842e+01 2.14 1.488073365e+01 1.488073365e+01 2.16 1.326989442e+01 1.326989442e+01 2.18 1.176938291e+01 1.176938291e+01 2.20 1.037209933e+01 1.037209933e+01 2.22 9.071339204e+00 9.071339204e+00 2.24 7.860788616e+00 7.860788616e+00 2.26 6.734529429e+00 6.734529429e+00 2.28 5.687030939e+00 5.687030939e+00 2.30 4.713164802e+00 4.713164802e+00 2.32 3.808174087e+00 3.808174087e+00 2.34 2.967627676e+00 2.967627676e+00 2.36 2.187385168e+00 2.187385168e+00 2.38 1.463556475e+00 1.463556475e+00 2.40 7.924759263e-01 7.924759263e-01 2.42 1.706803277e-01 1.706803277e-01 2.44 -4.050913078e-01 -4.050913078e-01 2.46 -9.379052198e-01 -9.379052198e-01 2.48 -1.430627744e+00 -1.430627744e+00 2.50 -1.885922178e+00 -1.885922178e+00 2.52 -2.306252428e+00 -2.306252428e+00 2.54 -2.693896403e+00 -2.693896403e+00 2.56 -3.050966177e+00 -3.050966177e+00 2.58 -3.379428534e+00 -3.379428534e+00 2.60 -3.681120975e+00 -3.681120975e+00 2.62 -3.957761197e+00 -3.957761197e+00 2.64 -4.210956578e+00 -4.210956578e+00 2.66 -4.442203909e+00 -4.442203909e+00 2.68 -4.652898690e+00 -4.652898690e+00 2.70 -4.844341525e+00 -4.844341525e+00 2.72 -5.017746452e+00 -5.017746452e+00 2.74 -5.174248708e+00 -5.174248708e+00 2.76 -5.314910545e+00 -5.314910545e+00 2.78 -5.440722371e+00 -5.440722371e+00 2.80 -5.552615505e+00 -5.552615505e+00 2.82 -5.651407577e+00 -5.651407577e+00 2.84 -5.737869363e+00 -5.737869363e+00 2.86 -5.812908233e+00 -5.812908233e+00 2.88 -5.877240715e+00 -5.877240715e+00 2.90 -5.931467679e+00 -5.931467679e+00 2.92 -5.976172248e+00 -5.976172248e+00 2.94 -6.011920595e+00 -6.011920595e+00 2.96 -6.039261862e+00 -6.039261862e+00 2.98 -6.058727221e+00 -6.058727221e+00 3.00 -6.070827630e+00 -6.070827630e+00 3.02 -6.075992490e+00 -6.075992490e+00 3.04 -6.074406503e+00 -6.074406503e+00 3.06 -6.066138311e+00 -6.066138311e+00 3.08 -6.051286587e+00 -6.051286587e+00 3.10 -6.029993423e+00 -6.029993423e+00 3.12 -6.002428585e+00 -6.002428585e+00 3.14 -5.968794828e+00 -5.968794828e+00 3.16 -5.929304785e+00 -5.929304785e+00 3.18 -5.884191557e+00 -5.884191557e+00 3.20 -5.833727168e+00 -5.833727168e+00 3.22 -5.778239079e+00 -5.778239079e+00 3.24 -5.717935546e+00 -5.717935546e+00 3.26 -5.653047918e+00 -5.653047918e+00 3.28 -5.583848886e+00 -5.583848886e+00 3.30 -5.510652395e+00 -5.510652395e+00 3.32 -5.433808704e+00 -5.433808704e+00 3.34 -5.353693704e+00 -5.353693704e+00 3.36 -5.270690489e+00 -5.270690489e+00 3.38 -5.185167572e+00 -5.185167572e+00 3.40 -5.097470576e+00 -5.097470576e+00 3.42 -5.007917764e+00 -5.007917764e+00 3.44 -4.916783667e+00 -4.916783667e+00 3.46 -4.824303487e+00 -4.824303487e+00 3.48 -4.730672971e+00 -4.730672971e+00 3.50 -4.636052414e+00 -4.636052414e+00 3.52 -4.540571818e+00 -4.540571818e+00 3.54 -4.444336438e+00 -4.444336438e+00 3.56 -4.347432312e+00 -4.347432312e+00 3.58 -4.249931670e+00 -4.249931670e+00 3.60 -4.151898251e+00 -4.151898251e+00 3.62 -4.053392601e+00 -4.053392601e+00 3.64 -3.954477422e+00 -3.954477422e+00 3.66 -3.855222956e+00 -3.855222956e+00 3.68 -3.755712348e+00 -3.755712348e+00 3.70 -3.656046798e+00 -3.656046798e+00 3.72 -3.556350270e+00 -3.556350270e+00 3.74 -3.456773395e+00 -3.456773395e+00 3.76 -3.357496163e+00 -3.357496163e+00 3.78 -3.258728931e+00 -3.258728931e+00 3.80 -3.160711248e+00 -3.160711248e+00 3.82 -3.063708082e+00 -3.063708082e+00 3.84 -2.968003169e+00 -2.968003169e+00 3.86 -2.873889528e+00 -2.873889528e+00 3.88 -2.781657599e+00 -2.781657599e+00 3.90 -2.691582001e+00 -2.691582001e+00 3.92 -2.603904934e+00 -2.603904934e+00 3.94 -2.518838755e+00 -2.518838755e+00 3.96 -2.436535164e+00 -2.436535164e+00 3.98 -2.357096560e+00 -2.357096560e+00 4.00 -2.280571765e+00 -2.280571765e+00 4.02 -2.206959808e+00 -2.206959808e+00 4.04 -2.136216582e+00 -2.136216582e+00 4.06 -2.068263192e+00 -2.068263192e+00 4.08 -2.002994858e+00 -2.002994858e+00 4.10 -1.940281044e+00 -1.940281044e+00 4.12 -1.880008383e+00 -1.880008383e+00 4.14 -1.822031378e+00 -1.822031378e+00 4.16 -1.766216620e+00 -1.766216620e+00 4.18 -1.712436131e+00 -1.712436131e+00 4.20 -1.660569972e+00 -1.660569972e+00 4.22 -1.610507863e+00 -1.610507863e+00 4.24 -1.562149964e+00 -1.562149964e+00 4.26 -1.515406976e+00 -1.515406976e+00 4.28 -1.470199680e+00 -1.470199680e+00 4.30 -1.426458051e+00 -1.426458051e+00 4.32 -1.384120056e+00 -1.384120056e+00 4.34 -1.343130265e+00 -1.343130265e+00 4.36 -1.303438410e+00 -1.303438410e+00 4.38 -1.264997993e+00 -1.264997993e+00 4.40 -1.227765054e+00 -1.227765054e+00 4.42 -1.191697188e+00 -1.191697188e+00 4.44 -1.156752816e+00 -1.156752816e+00 4.46 -1.122890753e+00 -1.122890753e+00 4.48 -1.090070010e+00 -1.090070010e+00 4.50 -1.058249804e+00 -1.058249804e+00 4.52 -1.027389693e+00 -1.027389693e+00 4.54 -9.974497991e-01 -9.974497991e-01 4.56 -9.683910555e-01 -9.683910555e-01 4.58 -9.401754423e-01 -9.401754423e-01 4.60 -9.127661960e-01 -9.127661960e-01 4.62 -8.861279795e-01 -8.861279795e-01 4.64 -8.602270131e-01 -8.602270131e-01 4.66 -8.350311763e-01 -8.350311763e-01 4.68 -8.105100888e-01 -8.105100888e-01 4.70 -7.866351813e-01 -7.866351813e-01 4.72 -7.633797665e-01 -7.633797665e-01 4.74 -7.407191156e-01 -7.407191156e-01 4.76 -7.186305429e-01 -7.186305429e-01 4.78 -6.970934967e-01 -6.970934967e-01 4.80 -6.760834989e-01 -6.760834989e-01 4.82 -6.555978662e-01 -6.555978662e-01 4.84 -6.356155552e-01 -6.356155552e-01 4.86 -6.161252854e-01 -6.161252854e-01 4.88 -5.971180704e-01 -5.971180704e-01 4.90 -5.785870768e-01 -5.785870768e-01 4.92 -5.605273869e-01 -5.605273869e-01 4.94 -5.429356594e-01 -5.429356594e-01 4.96 -5.258096925e-01 -5.258096925e-01 4.98 -5.091479071e-01 -5.091479071e-01 5.00 -4.929487796e-01 -4.929487796e-01 5.02 -4.772102615e-01 -4.772102615e-01 5.04 -4.619292317e-01 -4.619292317e-01 5.06 -4.471010250e-01 -4.471010250e-01 5.08 -4.327190753e-01 -4.327190753e-01 5.10 -4.187746996e-01 -4.187746996e-01 5.12 -4.052570384e-01 -4.052570384e-01 5.14 -3.921531489e-01 -3.921531489e-01 5.16 -3.794482384e-01 -3.794482384e-01 5.18 -3.671260153e-01 -3.671260153e-01 5.20 -3.551691280e-01 -3.551691280e-01 5.22 -3.435596640e-01 -3.435596640e-01 5.24 -3.322796792e-01 -3.322796792e-01 5.26 -3.213117354e-01 -3.213117354e-01 5.28 -3.106394209e-01 -3.106394209e-01 5.30 -3.002478380e-01 -3.002478380e-01 5.32 -2.901240363e-01 -2.901240363e-01 5.34 -2.802573725e-01 -2.802573725e-01 5.36 -2.706397765e-01 -2.706397765e-01 5.38 -2.612659022e-01 -2.612659022e-01 5.40 -2.521331407e-01 -2.521331407e-01 5.42 -2.432414818e-01 -2.432414818e-01 5.44 -2.345932149e-01 -2.345932149e-01 5.46 -2.261924767e-01 -2.261924767e-01 5.48 -2.180446645e-01 -2.180446645e-01 5.50 -2.101557545e-01 -2.101557545e-01 5.52 -2.025315772e-01 -2.025315772e-01 5.54 -1.951771098e-01 -1.951771098e-01 5.56 -1.880958439e-01 -1.880958439e-01 5.58 -1.812892817e-01 -1.812892817e-01 5.60 -1.747564648e-01 -1.747564648e-01 5.62 -1.684938137e-01 -1.684938137e-01 5.64 -1.624957583e-01 -1.624957583e-01 5.66 -1.567543661e-01 -1.567543661e-01 5.68 -1.512596091e-01 -1.512596091e-01 5.70 -1.459997401e-01 -1.459997401e-01 5.72 -1.409617039e-01 -1.409617039e-01 5.74 -1.361315430e-01 -1.361315430e-01 5.76 -1.314947746e-01 -1.314947746e-01 5.78 -1.270367176e-01 -1.270367176e-01 5.80 -1.227427632e-01 -1.227427632e-01 5.82 -1.185985864e-01 -1.185985864e-01 5.84 -1.145903019e-01 -1.145903019e-01 5.86 -1.107045733e-01 -1.107045733e-01 5.88 -1.069286840e-01 -1.069286840e-01 5.90 -1.032505800e-01 -1.032505800e-01 5.92 -9.965889474e-02 -9.965889474e-02 5.94 -9.614296452e-02 -9.614296452e-02 5.96 -9.269284315e-02 -9.269284315e-02 5.98 -8.929932148e-02 -8.929932148e-02 6.00 -8.595395778e-02 -8.595395778e-02