# 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 = AuMg2Mo # 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 4.032940699e+02 4.032940699e+02 1.30 3.736809314e+02 3.736809314e+02 1.32 3.462763164e+02 3.462763164e+02 1.34 3.209117403e+02 3.209117403e+02 1.36 2.974324114e+02 2.974324114e+02 1.38 2.756939871e+02 2.756939871e+02 1.40 2.555605590e+02 2.555605590e+02 1.42 2.369042433e+02 2.369042433e+02 1.44 2.196058340e+02 2.196058340e+02 1.46 2.035555766e+02 2.035555766e+02 1.48 1.886535938e+02 1.886535938e+02 1.50 1.748099007e+02 1.748099007e+02 1.52 1.619438939e+02 1.619438939e+02 1.54 1.499832414e+02 1.499832414e+02 1.56 1.388624703e+02 1.388624703e+02 1.58 1.285216473e+02 1.285216473e+02 1.60 1.189054094e+02 1.189054094e+02 1.62 1.099623472e+02 1.099623472e+02 1.64 1.016446593e+02 1.016446593e+02 1.66 9.390796771e+01 9.390796771e+01 1.68 8.671404537e+01 8.671404537e+01 1.70 8.003844426e+01 8.003844426e+01 1.72 7.384720595e+01 7.384720595e+01 1.74 6.810630748e+01 6.810630748e+01 1.76 6.278373348e+01 6.278373348e+01 1.78 5.784953209e+01 5.784953209e+01 1.80 5.327526278e+01 5.327526278e+01 1.82 4.903402925e+01 4.903402925e+01 1.84 4.510068419e+01 4.510068419e+01 1.86 4.145205542e+01 4.145205542e+01 1.88 3.806703668e+01 3.806703668e+01 1.90 3.492649068e+01 3.492649068e+01 1.92 3.201301071e+01 3.201301071e+01 1.94 2.931063455e+01 2.931063455e+01 1.96 2.680460280e+01 2.680460280e+01 1.98 2.448119295e+01 2.448119295e+01 2.00 2.232761766e+01 2.232761766e+01 2.02 2.033195074e+01 2.033195074e+01 2.04 1.848305370e+01 1.848305370e+01 2.06 1.677049365e+01 1.677049365e+01 2.08 1.518446316e+01 1.518446316e+01 2.10 1.371572537e+01 1.371572537e+01 2.12 1.235559342e+01 1.235559342e+01 2.14 1.109594344e+01 1.109594344e+01 2.16 9.929242257e+00 9.929242257e+00 2.18 8.848566074e+00 8.848566074e+00 2.20 7.847597881e+00 7.847597881e+00 2.22 6.920596170e+00 6.920596170e+00 2.24 6.062346068e+00 6.062346068e+00 2.26 5.268102369e+00 5.268102369e+00 2.28 4.533530620e+00 4.533530620e+00 2.30 3.854655925e+00 3.854655925e+00 2.32 3.227810927e+00 3.227810927e+00 2.34 2.649594188e+00 2.649594188e+00 2.36 2.116920983e+00 2.116920983e+00 2.38 1.626857034e+00 1.626857034e+00 2.40 1.176432399e+00 1.176432399e+00 2.42 7.628696170e-01 7.628696170e-01 2.44 3.835661955e-01 3.835661955e-01 2.46 3.607878002e-02 3.607878002e-02 2.48 -2.818857296e-01 -2.818857296e-01 2.50 -5.724723173e-01 -5.724723173e-01 2.52 -8.375613404e-01 -8.375613404e-01 2.54 -1.078768140e+00 -1.078768140e+00 2.56 -1.297630528e+00 -1.297630528e+00 2.58 -1.495616543e+00 -1.495616543e+00 2.60 -1.674119074e+00 -1.674119074e+00 2.62 -1.834450345e+00 -1.834450345e+00 2.64 -1.977848482e+00 -1.977848482e+00 2.66 -2.105532552e+00 -2.105532552e+00 2.68 -2.218485260e+00 -2.218485260e+00 2.70 -2.317585715e+00 -2.317585715e+00 2.72 -2.403655979e+00 -2.403655979e+00 2.74 -2.477467833e+00 -2.477467833e+00 2.76 -2.539749762e+00 -2.539749762e+00 2.78 -2.591192697e+00 -2.591192697e+00 2.80 -2.632449441e+00 -2.632449441e+00 2.82 -2.664133896e+00 -2.664133896e+00 2.84 -2.686838336e+00 -2.686838336e+00 2.86 -2.701140106e+00 -2.701140106e+00 2.88 -2.707608362e+00 -2.707608362e+00 2.90 -2.706811283e+00 -2.706811283e+00 2.92 -2.699322784e+00 -2.699322784e+00 2.94 -2.685727567e+00 -2.685727567e+00 2.96 -2.666623296e+00 -2.666623296e+00 2.98 -2.642618956e+00 -2.642618956e+00 3.00 -2.614328915e+00 -2.614328915e+00 3.02 -2.582362829e+00 -2.582362829e+00 3.04 -2.547312013e+00 -2.547312013e+00 3.06 -2.509735361e+00 -2.509735361e+00 3.08 -2.470142696e+00 -2.470142696e+00 3.10 -2.428983483e+00 -2.428983483e+00 3.12 -2.386637764e+00 -2.386637764e+00 3.14 -2.343415288e+00 -2.343415288e+00 3.16 -2.299555151e+00 -2.299555151e+00 3.18 -2.255235629e+00 -2.255235629e+00 3.20 -2.210584500e+00 -2.210584500e+00 3.22 -2.165691600e+00 -2.165691600e+00 3.24 -2.120621430e+00 -2.120621430e+00 3.26 -2.075424506e+00 -2.075424506e+00 3.28 -2.030157675e+00 -2.030157675e+00 3.30 -1.984915844e+00 -1.984915844e+00 3.32 -1.939687359e+00 -1.939687359e+00 3.34 -1.894461299e+00 -1.894461299e+00 3.36 -1.849248378e+00 -1.849248378e+00 3.38 -1.804081075e+00 -1.804081075e+00 3.40 -1.759002092e+00 -1.759002092e+00 3.42 -1.713931236e+00 -1.713931236e+00 3.44 -1.668737600e+00 -1.668737600e+00 3.46 -1.623361730e+00 -1.623361730e+00 3.48 -1.577813450e+00 -1.577813450e+00 3.50 -1.532163313e+00 -1.532163313e+00 3.52 -1.486530646e+00 -1.486530646e+00 3.54 -1.441069324e+00 -1.441069324e+00 3.56 -1.395952710e+00 -1.395952710e+00 3.58 -1.351359282e+00 -1.351359282e+00 3.60 -1.307460190e+00 -1.307460190e+00 3.62 -1.264409599e+00 -1.264409599e+00 3.64 -1.222338155e+00 -1.222338155e+00 3.66 -1.181349529e+00 -1.181349529e+00 3.68 -1.141519619e+00 -1.141519619e+00 3.70 -1.102897856e+00 -1.102897856e+00 3.72 -1.065509962e+00 -1.065509962e+00 3.74 -1.029361573e+00 -1.029361573e+00 3.76 -9.944422068e-01 -9.944422068e-01 3.78 -9.607291877e-01 -9.607291877e-01 3.80 -9.281912316e-01 -9.281912316e-01 3.82 -8.967915002e-01 -8.967915002e-01 3.84 -8.664900174e-01 -8.664900174e-01 3.86 -8.372454153e-01 -8.372454153e-01 3.88 -8.090160475e-01 -8.090160475e-01 3.90 -7.817605756e-01 -7.817605756e-01 3.92 -7.554379728e-01 -7.554379728e-01 3.94 -7.300083889e-01 -7.300083889e-01 3.96 -7.054317430e-01 -7.054317430e-01 3.98 -6.816687054e-01 -6.816687054e-01 4.00 -6.586805794e-01 -6.586805794e-01 4.02 -6.364295607e-01 -6.364295607e-01 4.04 -6.148790844e-01 -6.148790844e-01 4.06 -5.939942151e-01 -5.939942151e-01 4.08 -5.737420395e-01 -5.737420395e-01 4.10 -5.540913802e-01 -5.540913802e-01 4.12 -5.350158744e-01 -5.350158744e-01 4.14 -5.164899101e-01 -5.164899101e-01 4.16 -4.984919365e-01 -4.984919365e-01 4.18 -4.810038184e-01 -4.810038184e-01 4.20 -4.640109311e-01 -4.640109311e-01 4.22 -4.475021489e-01 -4.475021489e-01 4.24 -4.314696940e-01 -4.314696940e-01 4.26 -4.159088190e-01 -4.159088190e-01 4.28 -4.008173056e-01 -4.008173056e-01 4.30 -3.861947851e-01 -3.861947851e-01 4.32 -3.720419120e-01 -3.720419120e-01 4.34 -3.583594482e-01 -3.583594482e-01 4.36 -3.451473406e-01 -3.451473406e-01 4.38 -3.324038797e-01 -3.324038797e-01 4.40 -3.201250225e-01 -3.201250225e-01 4.42 -3.083039427e-01 -3.083039427e-01 4.44 -2.969308337e-01 -2.969308337e-01 4.46 -2.859929619e-01 -2.859929619e-01 4.48 -2.754749310e-01 -2.754749310e-01 4.50 -2.653591027e-01 -2.653591027e-01 4.52 -2.556261075e-01 -2.556261075e-01 4.54 -2.462553873e-01 -2.462553873e-01 4.56 -2.372257187e-01 -2.372257187e-01 4.58 -2.285156862e-01 -2.285156862e-01 4.60 -2.201040853e-01 -2.201040853e-01 4.62 -2.119702538e-01 -2.119702538e-01 4.64 -2.040943365e-01 -2.040943365e-01 4.66 -1.964574953e-01 -1.964574953e-01 4.68 -1.890420801e-01 -1.890420801e-01 4.70 -1.818317752e-01 -1.818317752e-01 4.72 -1.748117328e-01 -1.748117328e-01 4.74 -1.679687046e-01 -1.679687046e-01 4.76 -1.612911740e-01 -1.612911740e-01 4.78 -1.547694906e-01 -1.547694906e-01 4.80 -1.483956066e-01 -1.483956066e-01 4.82 -1.421648417e-01 -1.421648417e-01 4.84 -1.360733825e-01 -1.360733825e-01 4.86 -1.301201382e-01 -1.301201382e-01 4.88 -1.243062367e-01 -1.243062367e-01 4.90 -1.186349149e-01 -1.186349149e-01 4.92 -1.131113093e-01 -1.131113093e-01 4.94 -1.077421408e-01 -1.077421408e-01 4.96 -1.025352963e-01 -1.025352963e-01 4.98 -9.749932363e-02 -9.749932363e-02 5.00 -9.264286888e-02 -9.264286888e-02 5.02 -8.797409284e-02 -8.797409284e-02 5.04 -8.350011536e-02 -8.350011536e-02 5.06 -7.922652535e-02 -7.922652535e-02 5.08 -7.515698407e-02 -7.515698407e-02 5.10 -7.129298874e-02 -7.129298874e-02 5.12 -6.763377016e-02 -6.763377016e-02 5.14 -6.417633266e-02 -6.417633266e-02 5.16 -6.091562023e-02 -6.091562023e-02 5.18 -5.784478172e-02 -5.784478172e-02 5.20 -5.495505133e-02 -5.495505133e-02 5.22 -5.223646830e-02 -5.223646830e-02 5.24 -4.967942871e-02 -4.967942871e-02 5.26 -4.727381547e-02 -4.727381547e-02 5.28 -4.500933814e-02 -4.500933814e-02 5.30 -4.287584911e-02 -4.287584911e-02 5.32 -4.086359729e-02 -4.086359729e-02 5.34 -3.896341945e-02 -3.896341945e-02 5.36 -3.716687217e-02 -3.716687217e-02 5.38 -3.546630815e-02 -3.546630815e-02 5.40 -3.385490416e-02 -3.385490416e-02 5.42 -3.232664627e-02 -3.232664627e-02 5.44 -3.087627903e-02 -3.087627903e-02 5.46 -2.949922626e-02 -2.949922626e-02 5.48 -2.819149168e-02 -2.819149168e-02 5.50 -2.694954822e-02 -2.694954822e-02 5.52 -2.577022472e-02 -2.577022472e-02 5.54 -2.465059874e-02 -2.465059874e-02 5.56 -2.358790234e-02 -2.358790234e-02 5.58 -2.257944633e-02 -2.257944633e-02 5.60 -2.162256576e-02 -2.162256576e-02 5.62 -2.071458698e-02 -2.071458698e-02 5.64 -1.985281449e-02 -1.985281449e-02 5.66 -1.903453398e-02 -1.903453398e-02 5.68 -1.825702714e-02 -1.825702714e-02 5.70 -1.751759366e-02 -1.751759366e-02 5.72 -1.681357617e-02 -1.681357617e-02 5.74 -1.614238427e-02 -1.614238427e-02 5.76 -1.550148281e-02 -1.550148281e-02 5.78 -1.488846365e-02 -1.488846365e-02 5.80 -1.430106053e-02 -1.430106053e-02 5.82 -1.373713257e-02 -1.373713257e-02 5.84 -1.319466798e-02 -1.319466798e-02 5.86 -1.267178459e-02 -1.267178459e-02 5.88 -1.216672783e-02 -1.216672783e-02 5.90 -1.167786749e-02 -1.167786749e-02 5.92 -1.120369376e-02 -1.120369376e-02 5.94 -1.074281365e-02 -1.074281365e-02 5.96 -1.029394825e-02 -1.029394825e-02 5.98 -9.855931333e-03 -9.855931333e-03 6.00 -9.427709734e-03 -9.427709734e-03