# 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 = AuMgMo2 # 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 3.856457480e+02 3.856457480e+02 1.30 3.574274423e+02 3.574274423e+02 1.32 3.313095730e+02 3.313095730e+02 1.34 3.071180274e+02 3.071180274e+02 1.36 2.846969158e+02 2.846969158e+02 1.38 2.639066489e+02 2.639066489e+02 1.40 2.446211699e+02 2.446211699e+02 1.42 2.267250293e+02 2.267250293e+02 1.44 2.101113272e+02 2.101113272e+02 1.46 1.946809644e+02 1.946809644e+02 1.48 1.803428236e+02 1.803428236e+02 1.50 1.670141138e+02 1.670141138e+02 1.52 1.546202308e+02 1.546202308e+02 1.54 1.430939565e+02 1.430939565e+02 1.56 1.323742334e+02 1.323742334e+02 1.58 1.224049006e+02 1.224049006e+02 1.60 1.131336459e+02 1.131336459e+02 1.62 1.045112575e+02 1.045112575e+02 1.64 9.649116350e+01 9.649116350e+01 1.66 8.902924361e+01 8.902924361e+01 1.68 8.208390376e+01 8.208390376e+01 1.70 7.561635380e+01 7.561635380e+01 1.72 6.959097089e+01 6.959097089e+01 1.74 6.397558328e+01 6.397558328e+01 1.76 5.874286467e+01 5.874286467e+01 1.78 5.387707951e+01 5.387707951e+01 1.80 4.936585732e+01 4.936585732e+01 1.82 4.518630854e+01 4.518630854e+01 1.84 4.131663060e+01 4.131663060e+01 1.86 3.773603237e+01 3.773603237e+01 1.88 3.442459905e+01 3.442459905e+01 1.90 3.136332649e+01 3.136332649e+01 1.92 2.853418219e+01 2.853418219e+01 1.94 2.592015698e+01 2.592015698e+01 1.96 2.350529362e+01 2.350529362e+01 1.98 2.127469567e+01 2.127469567e+01 2.00 1.921450520e+01 1.921450520e+01 2.02 1.731183927e+01 1.731183927e+01 2.04 1.555469188e+01 1.555469188e+01 2.06 1.393182335e+01 1.393182335e+01 2.08 1.243266867e+01 1.243266867e+01 2.10 1.104728997e+01 1.104728997e+01 2.12 9.766386206e+00 9.766386206e+00 2.14 8.581344022e+00 8.581344022e+00 2.16 7.484300803e+00 7.484300803e+00 2.18 6.468183895e+00 6.468183895e+00 2.20 5.526705713e+00 5.526705713e+00 2.22 4.654310129e+00 4.654310129e+00 2.24 3.846085648e+00 3.846085648e+00 2.26 3.097663940e+00 3.097663940e+00 2.28 2.405120775e+00 2.405120775e+00 2.30 1.764888634e+00 1.764888634e+00 2.32 1.173685125e+00 1.173685125e+00 2.34 6.284600664e-01 6.284600664e-01 2.36 1.263553183e-01 1.263553183e-01 2.38 -3.353213979e-01 -3.353213979e-01 2.40 -7.591134133e-01 -7.591134133e-01 2.42 -1.147425794e+00 -1.147425794e+00 2.44 -1.502530961e+00 -1.502530961e+00 2.46 -1.826572249e+00 -1.826572249e+00 2.48 -2.121564991e+00 -2.121564991e+00 2.50 -2.389263202e+00 -2.389263202e+00 2.52 -2.631293425e+00 -2.631293425e+00 2.54 -2.849566516e+00 -2.849566516e+00 2.56 -3.045836823e+00 -3.045836823e+00 2.58 -3.221700833e+00 -3.221700833e+00 2.60 -3.378611325e+00 -3.378611325e+00 2.62 -3.517890380e+00 -3.517890380e+00 2.64 -3.640742223e+00 -3.640742223e+00 2.66 -3.748128476e+00 -3.748128476e+00 2.68 -3.840525372e+00 -3.840525372e+00 2.70 -3.918346596e+00 -3.918346596e+00 2.72 -3.982037715e+00 -3.982037715e+00 2.74 -4.032073474e+00 -4.032073474e+00 2.76 -4.068955777e+00 -4.068955777e+00 2.78 -4.093212007e+00 -4.093212007e+00 2.80 -4.105394887e+00 -4.105394887e+00 2.82 -4.106101366e+00 -4.106101366e+00 2.84 -4.095997013e+00 -4.095997013e+00 2.86 -4.075668595e+00 -4.075668595e+00 2.88 -4.045747042e+00 -4.045747042e+00 2.90 -4.006927656e+00 -4.006927656e+00 2.92 -3.959973108e+00 -3.959973108e+00 2.94 -3.905711389e+00 -3.905711389e+00 2.96 -3.845026555e+00 -3.845026555e+00 2.98 -3.778841141e+00 -3.778841141e+00 3.00 -3.708086851e+00 -3.708086851e+00 3.02 -3.633671884e+00 -3.633671884e+00 3.04 -3.556453948e+00 -3.556453948e+00 3.06 -3.477209825e+00 -3.477209825e+00 3.08 -3.396608869e+00 -3.396608869e+00 3.10 -3.315196524e+00 -3.315196524e+00 3.12 -3.233387180e+00 -3.233387180e+00 3.14 -3.151468718e+00 -3.151468718e+00 3.16 -3.069612965e+00 -3.069612965e+00 3.18 -2.987895624e+00 -2.987895624e+00 3.20 -2.906318443e+00 -2.906318443e+00 3.22 -2.824833154e+00 -2.824833154e+00 3.24 -2.743364914e+00 -2.743364914e+00 3.26 -2.661833892e+00 -2.661833892e+00 3.28 -2.580174171e+00 -2.580174171e+00 3.30 -2.498349449e+00 -2.498349449e+00 3.32 -2.416365298e+00 -2.416365298e+00 3.34 -2.334311126e+00 -2.334311126e+00 3.36 -2.252272577e+00 -2.252272577e+00 3.38 -2.170330421e+00 -2.170330421e+00 3.40 -2.088638268e+00 -2.088638268e+00 3.42 -2.007404289e+00 -2.007404289e+00 3.44 -1.926714223e+00 -1.926714223e+00 3.46 -1.846623808e+00 -1.846623808e+00 3.48 -1.767301788e+00 -1.767301788e+00 3.50 -1.689011942e+00 -1.689011942e+00 3.52 -1.612085078e+00 -1.612085078e+00 3.54 -1.536887257e+00 -1.536887257e+00 3.56 -1.463787854e+00 -1.463787854e+00 3.58 -1.393130834e+00 -1.393130834e+00 3.60 -1.325211904e+00 -1.325211904e+00 3.62 -1.260263017e+00 -1.260263017e+00 3.64 -1.198444529e+00 -1.198444529e+00 3.66 -1.139844286e+00 -1.139844286e+00 3.68 -1.084482252e+00 -1.084482252e+00 3.70 -1.032318992e+00 -1.032318992e+00 3.72 -9.832663246e-01 -9.832663246e-01 3.74 -9.371987226e-01 -9.371987226e-01 3.76 -8.939643348e-01 -8.939643348e-01 3.78 -8.533949074e-01 -8.533949074e-01 3.80 -8.153141705e-01 -8.153141705e-01 3.82 -7.795445271e-01 -7.795445271e-01 3.84 -7.459120622e-01 -7.459120622e-01 3.86 -7.142500153e-01 -7.142500153e-01 3.88 -6.844009392e-01 -6.844009392e-01 3.90 -6.562178084e-01 -6.562178084e-01 3.92 -6.295642522e-01 -6.295642522e-01 3.94 -6.043148260e-01 -6.043148260e-01 3.96 -5.803538512e-01 -5.803538512e-01 3.98 -5.575753369e-01 -5.575753369e-01 4.00 -5.358822592e-01 -5.358822592e-01 4.02 -5.151860167e-01 -5.151860167e-01 4.04 -4.954059488e-01 -4.954059488e-01 4.06 -4.764689146e-01 -4.764689146e-01 4.08 -4.583089275e-01 -4.583089275e-01 4.10 -4.408664691e-01 -4.408664691e-01 4.12 -4.240897640e-01 -4.240897640e-01 4.14 -4.079320939e-01 -4.079320939e-01 4.16 -3.923533204e-01 -3.923533204e-01 4.18 -3.773192209e-01 -3.773192209e-01 4.20 -3.628012656e-01 -3.628012656e-01 4.22 -3.487763373e-01 -3.487763373e-01 4.24 -3.352263530e-01 -3.352263530e-01 4.26 -3.221377511e-01 -3.221377511e-01 4.28 -3.095008212e-01 -3.095008212e-01 4.30 -2.973088741e-01 -2.973088741e-01 4.32 -2.855572781e-01 -2.855572781e-01 4.34 -2.742424172e-01 -2.742424172e-01 4.36 -2.633606497e-01 -2.633606497e-01 4.38 -2.529073609e-01 -2.529073609e-01 4.40 -2.428761761e-01 -2.428761761e-01 4.42 -2.332584154e-01 -2.332584154e-01 4.44 -2.240428330e-01 -2.240428330e-01 4.46 -2.152156050e-01 -2.152156050e-01 4.48 -2.067601441e-01 -2.067601441e-01 4.50 -1.986576558e-01 -1.986576558e-01 4.52 -1.908892400e-01 -1.908892400e-01 4.54 -1.834347037e-01 -1.834347037e-01 4.56 -1.762731141e-01 -1.762731141e-01 4.58 -1.693833646e-01 -1.693833646e-01 4.60 -1.627446392e-01 -1.627446392e-01 4.62 -1.563367765e-01 -1.563367765e-01 4.64 -1.501405468e-01 -1.501405468e-01 4.66 -1.441378606e-01 -1.441378606e-01 4.68 -1.383119290e-01 -1.383119290e-01 4.70 -1.326473939e-01 -1.326473939e-01 4.72 -1.271304453e-01 -1.271304453e-01 4.74 -1.217489337e-01 -1.217489337e-01 4.76 -1.164924876e-01 -1.164924876e-01 4.78 -1.113526336e-01 -1.113526336e-01 4.80 -1.063227084e-01 -1.063227084e-01 4.82 -1.013988284e-01 -1.013988284e-01 4.84 -9.657860836e-02 -9.657860836e-02 4.86 -9.186213381e-02 -9.186213381e-02 4.88 -8.725172096e-02 -8.725172096e-02 4.90 -8.275177447e-02 -8.275177447e-02 4.92 -7.836856622e-02 -7.836856622e-02 4.94 -7.410991105e-02 -7.410991105e-02 4.96 -6.998474017e-02 -6.998474017e-02 4.98 -6.600258916e-02 -6.600258916e-02 5.00 -6.217302985e-02 -6.217302985e-02 5.02 -5.850508533e-02 -5.850508533e-02 5.04 -5.500667260e-02 -5.500667260e-02 5.06 -5.168411695e-02 -5.168411695e-02 5.08 -4.854178024e-02 -4.854178024e-02 5.10 -4.558181860e-02 -4.558181860e-02 5.12 -4.280408854e-02 -4.280408854e-02 5.14 -4.020619533e-02 -4.020619533e-02 5.16 -3.778366512e-02 -3.778366512e-02 5.18 -3.553021447e-02 -3.553021447e-02 5.20 -3.343807898e-02 -3.343807898e-02 5.22 -3.149837978e-02 -3.149837978e-02 5.24 -2.970149101e-02 -2.970149101e-02 5.26 -2.803738490e-02 -2.803738490e-02 5.28 -2.649593913e-02 -2.649593913e-02 5.30 -2.506719655e-02 -2.506719655e-02 5.32 -2.374157274e-02 -2.374157274e-02 5.34 -2.251001180e-02 -2.251001180e-02 5.36 -2.136409316e-02 -2.136409316e-02 5.38 -2.029609481e-02 -2.029609481e-02 5.40 -1.929901859e-02 -1.929901859e-02 5.42 -1.836655978e-02 -1.836655978e-02 5.44 -1.749306858e-02 -1.749306858e-02 5.46 -1.667360982e-02 -1.667360982e-02 5.48 -1.590381908e-02 -1.590381908e-02 5.50 -1.517982839e-02 -1.517982839e-02 5.52 -1.449819447e-02 -1.449819447e-02 5.54 -1.385582900e-02 -1.385582900e-02 5.56 -1.324993463e-02 -1.324993463e-02 5.58 -1.267794952e-02 -1.267794952e-02 5.60 -1.213750206e-02 -1.213750206e-02 5.62 -1.162637603e-02 -1.162637603e-02 5.64 -1.114248556e-02 -1.114248556e-02 5.66 -1.068385866e-02 -1.068385866e-02 5.68 -1.024862722e-02 -1.024862722e-02 5.70 -9.835021808e-03 -9.835021808e-03 5.72 -9.441369220e-03 -9.441369220e-03 5.74 -9.066091472e-03 -9.066091472e-03 5.76 -8.707705017e-03 -8.707705017e-03 5.78 -8.364819512e-03 -8.364819512e-03 5.80 -8.036135805e-03 -8.036135805e-03 5.82 -7.720443039e-03 -7.720443039e-03 5.84 -7.416615017e-03 -7.416615017e-03 5.86 -7.123606062e-03 -7.123606062e-03 5.88 -6.840446684e-03 -6.840446684e-03 5.90 -6.566239361e-03 -6.566239361e-03 5.92 -6.300154752e-03 -6.300154752e-03 5.94 -6.041428583e-03 -6.041428583e-03 5.96 -5.789359445e-03 -5.789359445e-03 5.98 -5.543307662e-03 -5.543307662e-03 6.00 -5.302695319e-03 -5.302695319e-03