# 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 = Mo2PbZr # 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 4.149970694e+02 4.149970694e+02 1.30 3.868870527e+02 3.868870527e+02 1.32 3.607627578e+02 3.607627578e+02 1.34 3.364626021e+02 3.364626021e+02 1.36 3.138435165e+02 3.138435165e+02 1.38 2.927777324e+02 2.927777324e+02 1.40 2.731493540e+02 2.731493540e+02 1.42 2.548515890e+02 2.548515890e+02 1.44 2.377849222e+02 2.377849222e+02 1.46 2.218565678e+02 2.218565678e+02 1.48 2.069809506e+02 2.069809506e+02 1.50 1.930804086e+02 1.930804086e+02 1.52 1.800853397e+02 1.800853397e+02 1.54 1.679336519e+02 1.679336519e+02 1.56 1.565695559e+02 1.565695559e+02 1.58 1.459422511e+02 1.459422511e+02 1.60 1.360047164e+02 1.360047164e+02 1.62 1.267127477e+02 1.267127477e+02 1.64 1.180242215e+02 1.180242215e+02 1.66 1.098986882e+02 1.098986882e+02 1.68 1.022973017e+02 1.022973017e+02 1.70 9.518304514e+01 9.518304514e+01 1.72 8.852123123e+01 8.852123123e+01 1.74 8.228010267e+01 8.228010267e+01 1.76 7.643128461e+01 7.643128461e+01 1.78 7.094987440e+01 7.094987440e+01 1.80 6.581405926e+01 6.581405926e+01 1.82 6.100439630e+01 6.100439630e+01 1.84 5.650288797e+01 5.650288797e+01 1.86 5.229220402e+01 5.229220402e+01 1.88 4.835537497e+01 4.835537497e+01 1.90 4.467594487e+01 4.467594487e+01 1.92 4.124084286e+01 4.124084286e+01 1.94 3.804005298e+01 3.804005298e+01 1.96 3.505812464e+01 3.505812464e+01 1.98 3.227943554e+01 3.227943554e+01 2.00 2.968944342e+01 2.968944342e+01 2.02 2.727462899e+01 2.727462899e+01 2.04 2.502239735e+01 2.502239735e+01 2.06 2.292096867e+01 2.292096867e+01 2.08 2.095929785e+01 2.095929785e+01 2.10 1.912701912e+01 1.912701912e+01 2.12 1.741447206e+01 1.741447206e+01 2.14 1.581274385e+01 1.581274385e+01 2.16 1.431372873e+01 1.431372873e+01 2.18 1.291014537e+01 1.291014537e+01 2.20 1.159550057e+01 1.159550057e+01 2.22 1.036399433e+01 1.036399433e+01 2.24 9.210408434e+00 9.210408434e+00 2.26 8.130002020e+00 8.130002020e+00 2.28 7.118436201e+00 7.118436201e+00 2.30 6.171706815e+00 6.171706815e+00 2.32 5.286085989e+00 5.286085989e+00 2.34 4.458100830e+00 4.458100830e+00 2.36 3.684479900e+00 3.684479900e+00 2.38 2.962133466e+00 2.962133466e+00 2.40 2.288139832e+00 2.288139832e+00 2.42 1.659735663e+00 1.659735663e+00 2.44 1.074313250e+00 1.074313250e+00 2.46 5.294089545e-01 5.294089545e-01 2.48 2.269253814e-02 2.269253814e-02 2.50 -4.480422484e-01 -4.480422484e-01 2.52 -8.848795534e-01 -8.848795534e-01 2.54 -1.289773885e+00 -1.289773885e+00 2.56 -1.664537617e+00 -1.664537617e+00 2.58 -2.010832335e+00 -2.010832335e+00 2.60 -2.330171659e+00 -2.330171659e+00 2.62 -2.623934778e+00 -2.623934778e+00 2.64 -2.893404331e+00 -2.893404331e+00 2.66 -3.139776256e+00 -3.139776256e+00 2.68 -3.364199968e+00 -3.364199968e+00 2.70 -3.567807214e+00 -3.567807214e+00 2.72 -3.751748240e+00 -3.751748240e+00 2.74 -3.917061497e+00 -3.917061497e+00 2.76 -4.064750236e+00 -4.064750236e+00 2.78 -4.195590848e+00 -4.195590848e+00 2.80 -4.310707606e+00 -4.310707606e+00 2.82 -4.411306284e+00 -4.411306284e+00 2.84 -4.498544236e+00 -4.498544236e+00 2.86 -4.573529129e+00 -4.573529129e+00 2.88 -4.637280999e+00 -4.637280999e+00 2.90 -4.690670493e+00 -4.690670493e+00 2.92 -4.734519975e+00 -4.734519975e+00 2.94 -4.769363496e+00 -4.769363496e+00 2.96 -4.795383505e+00 -4.795383505e+00 2.98 -4.812799177e+00 -4.812799177e+00 3.00 -4.821886501e+00 -4.821886501e+00 3.02 -4.822963946e+00 -4.822963946e+00 3.04 -4.816375951e+00 -4.816375951e+00 3.06 -4.802481590e+00 -4.802481590e+00 3.08 -4.781634580e+00 -4.781634580e+00 3.10 -4.754177284e+00 -4.754177284e+00 3.12 -4.720429630e+00 -4.720429630e+00 3.14 -4.680700370e+00 -4.680700370e+00 3.16 -4.635265650e+00 -4.635265650e+00 3.18 -4.584388013e+00 -4.584388013e+00 3.20 -4.528317047e+00 -4.528317047e+00 3.22 -4.467295462e+00 -4.467295462e+00 3.24 -4.401566010e+00 -4.401566010e+00 3.26 -4.331378938e+00 -4.331378938e+00 3.28 -4.256999360e+00 -4.256999360e+00 3.30 -4.178713665e+00 -4.178713665e+00 3.32 -4.096834122e+00 -4.096834122e+00 3.34 -4.011701369e+00 -4.011701369e+00 3.36 -3.923685124e+00 -3.923685124e+00 3.38 -3.833183894e+00 -3.833183894e+00 3.40 -3.740623113e+00 -3.740623113e+00 3.42 -3.646510231e+00 -3.646510231e+00 3.44 -3.551295701e+00 -3.551295701e+00 3.46 -3.455342593e+00 -3.455342593e+00 3.48 -3.359064113e+00 -3.359064113e+00 3.50 -3.262908168e+00 -3.262908168e+00 3.52 -3.167321218e+00 -3.167321218e+00 3.54 -3.072702457e+00 -3.072702457e+00 3.56 -2.979435192e+00 -2.979435192e+00 3.58 -2.887875365e+00 -2.887875365e+00 3.60 -2.798333801e+00 -2.798333801e+00 3.62 -2.711064324e+00 -2.711064324e+00 3.64 -2.626258079e+00 -2.626258079e+00 3.66 -2.544043494e+00 -2.544043494e+00 3.68 -2.464490804e+00 -2.464490804e+00 3.70 -2.387619750e+00 -2.387619750e+00 3.72 -2.313409096e+00 -2.313409096e+00 3.74 -2.241806766e+00 -2.241806766e+00 3.76 -2.172739650e+00 -2.172739650e+00 3.78 -2.106122430e+00 -2.106122430e+00 3.80 -2.041864960e+00 -2.041864960e+00 3.82 -1.979877908e+00 -1.979877908e+00 3.84 -1.920076499e+00 -1.920076499e+00 3.86 -1.862382310e+00 -1.862382310e+00 3.88 -1.806723250e+00 -1.806723250e+00 3.90 -1.753032089e+00 -1.753032089e+00 3.92 -1.701242025e+00 -1.701242025e+00 3.94 -1.651292774e+00 -1.651292774e+00 3.96 -1.603114778e+00 -1.603114778e+00 3.98 -1.556637627e+00 -1.556637627e+00 4.00 -1.511787364e+00 -1.511787364e+00 4.02 -1.468487336e+00 -1.468487336e+00 4.04 -1.426659676e+00 -1.426659676e+00 4.06 -1.386227076e+00 -1.386227076e+00 4.08 -1.347114474e+00 -1.347114474e+00 4.10 -1.309244084e+00 -1.309244084e+00 4.12 -1.272563062e+00 -1.272563062e+00 4.14 -1.237001983e+00 -1.237001983e+00 4.16 -1.202504642e+00 -1.202504642e+00 4.18 -1.169020086e+00 -1.169020086e+00 4.20 -1.136502310e+00 -1.136502310e+00 4.22 -1.104909832e+00 -1.104909832e+00 4.24 -1.074205211e+00 -1.074205211e+00 4.26 -1.044354557e+00 -1.044354557e+00 4.28 -1.015327053e+00 -1.015327053e+00 4.30 -9.870945157e-01 -9.870945157e-01 4.32 -9.596310082e-01 -9.596310082e-01 4.34 -9.329124949e-01 -9.329124949e-01 4.36 -9.069165508e-01 -9.069165508e-01 4.38 -8.816221135e-01 -8.816221135e-01 4.40 -8.570092778e-01 -8.570092778e-01 4.42 -8.330591250e-01 -8.330591250e-01 4.44 -8.097535825e-01 -8.097535825e-01 4.46 -7.870753093e-01 -7.870753093e-01 4.48 -7.650076024e-01 -7.650076024e-01 4.50 -7.435343203e-01 -7.435343203e-01 4.52 -7.226398200e-01 -7.226398200e-01 4.54 -7.023089059e-01 -7.023089059e-01 4.56 -6.825267867e-01 -6.825267867e-01 4.58 -6.632790401e-01 -6.632790401e-01 4.60 -6.445515820e-01 -6.445515820e-01 4.62 -6.263306411e-01 -6.263306411e-01 4.64 -6.086027360e-01 -6.086027360e-01 4.66 -5.913546555e-01 -5.913546555e-01 4.68 -5.745734403e-01 -5.745734403e-01 4.70 -5.582463676e-01 -5.582463676e-01 4.72 -5.423609352e-01 -5.423609352e-01 4.74 -5.269048487e-01 -5.269048487e-01 4.76 -5.118660082e-01 -5.118660082e-01 4.78 -4.972324968e-01 -4.972324968e-01 4.80 -4.829886722e-01 -4.829886722e-01 4.82 -4.691314033e-01 -4.691314033e-01 4.84 -4.556445989e-01 -4.556445989e-01 4.86 -4.425170014e-01 -4.425170014e-01 4.88 -4.297374946e-01 -4.297374946e-01 4.90 -4.172951028e-01 -4.172951028e-01 4.92 -4.051789930e-01 -4.051789930e-01 4.94 -3.933784810e-01 -3.933784810e-01 4.96 -3.818830412e-01 -3.818830412e-01 4.98 -3.706823216e-01 -3.706823216e-01 5.00 -3.597661636e-01 -3.597661636e-01 5.02 -3.491246281e-01 -3.491246281e-01 5.04 -3.387480267e-01 -3.387480267e-01 5.06 -3.286269590e-01 -3.286269590e-01 5.08 -3.187523543e-01 -3.187523543e-01 5.10 -3.091155183e-01 -3.091155183e-01 5.12 -2.997081813e-01 -2.997081813e-01 5.14 -2.905225484e-01 -2.905225484e-01 5.16 -2.815513484e-01 -2.815513484e-01 5.18 -2.727878797e-01 -2.727878797e-01 5.20 -2.642260519e-01 -2.642260519e-01 5.22 -2.558604222e-01 -2.558604222e-01 5.24 -2.476862252e-01 -2.476862252e-01 5.26 -2.396993820e-01 -2.396993820e-01 5.28 -2.318964577e-01 -2.318964577e-01 5.30 -2.242748738e-01 -2.242748738e-01 5.32 -2.168328188e-01 -2.168328188e-01 5.34 -2.095692270e-01 -2.095692270e-01 5.36 -2.024837698e-01 -2.024837698e-01 5.38 -1.955768284e-01 -1.955768284e-01 5.40 -1.888494387e-01 -1.888494387e-01 5.42 -1.823031979e-01 -1.823031979e-01 5.44 -1.759401238e-01 -1.759401238e-01 5.46 -1.697624668e-01 -1.697624668e-01 5.48 -1.637724733e-01 -1.637724733e-01 5.50 -1.579721149e-01 -1.579721149e-01 5.52 -1.523628039e-01 -1.523628039e-01 5.54 -1.469451176e-01 -1.469451176e-01 5.56 -1.417185592e-01 -1.417185592e-01 5.58 -1.366813775e-01 -1.366813775e-01 5.60 -1.318301337e-01 -1.318301337e-01 5.62 -1.271601755e-01 -1.271601755e-01 5.64 -1.226660121e-01 -1.226660121e-01 5.66 -1.183408573e-01 -1.183408573e-01 5.68 -1.141768367e-01 -1.141768367e-01 5.70 -1.101652290e-01 -1.101652290e-01 5.72 -1.062967202e-01 -1.062967202e-01 5.74 -1.025616503e-01 -1.025616503e-01 5.76 -9.895024054e-02 -9.895024054e-02 5.78 -9.545279223e-02 -9.545279223e-02 5.80 -9.205985346e-02 -9.205985346e-02 5.82 -8.876235379e-02 -8.876235379e-02 5.84 -8.555170911e-02 -8.555170911e-02 5.86 -8.241990058e-02 -8.241990058e-02 5.88 -7.935953210e-02 -7.935953210e-02 5.90 -7.636387060e-02 -7.636387060e-02 5.92 -7.342687295e-02 -7.342687295e-02 5.94 -7.054320278e-02 -7.054320278e-02 5.96 -6.770823941e-02 -6.770823941e-02 5.98 -6.491808090e-02 -6.491808090e-02 6.00 -6.216954237e-02 -6.216954237e-02