# 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 = FeTaZr2 # 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 3.448505992e+02 3.448505992e+02 1.30 3.193726567e+02 3.193726567e+02 1.32 2.957949719e+02 2.957949719e+02 1.34 2.739636642e+02 2.739636642e+02 1.36 2.537398299e+02 2.537398299e+02 1.38 2.349983136e+02 2.349983136e+02 1.40 2.176260784e+02 2.176260784e+02 1.42 2.015199826e+02 2.015199826e+02 1.44 1.865846764e+02 1.865846764e+02 1.46 1.727313957e+02 1.727313957e+02 1.48 1.598775775e+02 1.598775775e+02 1.50 1.479466040e+02 1.479466040e+02 1.52 1.368674443e+02 1.368674443e+02 1.54 1.265743244e+02 1.265743244e+02 1.56 1.170067090e+02 1.170067090e+02 1.58 1.081094924e+02 1.081094924e+02 1.60 9.983295014e+01 9.983295014e+01 1.62 9.213220440e+01 9.213220440e+01 1.64 8.496646017e+01 8.496646017e+01 1.66 7.829831515e+01 7.829831515e+01 1.68 7.209331354e+01 7.209331354e+01 1.70 6.631976767e+01 6.631976767e+01 1.72 6.094854513e+01 6.094854513e+01 1.74 5.595278697e+01 5.595278697e+01 1.76 5.130753778e+01 5.130753778e+01 1.78 4.698941543e+01 4.698941543e+01 1.80 4.297631124e+01 4.297631124e+01 1.82 3.924718978e+01 3.924718978e+01 1.84 3.578190664e+01 3.578190664e+01 1.86 3.256126538e+01 3.256126538e+01 1.88 2.956716809e+01 2.956716809e+01 1.90 2.678279891e+01 2.678279891e+01 1.92 2.419268418e+01 2.419268418e+01 1.94 2.178262677e+01 2.178262677e+01 1.96 1.953954171e+01 1.953954171e+01 1.98 1.745158634e+01 1.745158634e+01 2.00 1.551114753e+01 1.551114753e+01 2.02 1.370922614e+01 1.370922614e+01 2.04 1.203597081e+01 1.203597081e+01 2.06 1.048237125e+01 1.048237125e+01 2.08 9.040161254e+00 9.040161254e+00 2.10 7.701717167e+00 7.701717167e+00 2.12 6.459998117e+00 6.459998117e+00 2.14 5.308500729e+00 5.308500729e+00 2.16 4.241240987e+00 4.241240987e+00 2.18 3.252713591e+00 3.252713591e+00 2.20 2.337842174e+00 2.337842174e+00 2.22 1.491891403e+00 1.491891403e+00 2.24 7.104012246e-01 7.104012246e-01 2.26 -1.084644086e-02 -1.084644086e-02 2.28 -6.758458585e-01 -6.758458585e-01 2.30 -1.288334292e+00 -1.288334292e+00 2.32 -1.851826586e+00 -1.851826586e+00 2.34 -2.369591770e+00 -2.369591770e+00 2.36 -2.844697157e+00 -2.844697157e+00 2.38 -3.280022243e+00 -3.280022243e+00 2.40 -3.678274662e+00 -3.678274662e+00 2.42 -4.042010392e+00 -4.042010392e+00 2.44 -4.373639353e+00 -4.373639353e+00 2.46 -4.675442892e+00 -4.675442892e+00 2.48 -4.949577901e+00 -4.949577901e+00 2.50 -5.198076031e+00 -5.198076031e+00 2.52 -5.422837790e+00 -5.422837790e+00 2.54 -5.625624515e+00 -5.625624515e+00 2.56 -5.808051690e+00 -5.808051690e+00 2.58 -5.971587512e+00 -5.971587512e+00 2.60 -6.117559623e+00 -6.117559623e+00 2.62 -6.247166023e+00 -6.247166023e+00 2.64 -6.361509294e+00 -6.361509294e+00 2.66 -6.461589175e+00 -6.461589175e+00 2.68 -6.548334709e+00 -6.548334709e+00 2.70 -6.622608246e+00 -6.622608246e+00 2.72 -6.685210624e+00 -6.685210624e+00 2.74 -6.736883813e+00 -6.736883813e+00 2.76 -6.778294265e+00 -6.778294265e+00 2.78 -6.809998013e+00 -6.809998013e+00 2.80 -6.832687126e+00 -6.832687126e+00 2.82 -6.847020562e+00 -6.847020562e+00 2.84 -6.853436695e+00 -6.853436695e+00 2.86 -6.852357369e+00 -6.852357369e+00 2.88 -6.844201336e+00 -6.844201336e+00 2.90 -6.829387969e+00 -6.829387969e+00 2.92 -6.808338871e+00 -6.808338871e+00 2.94 -6.781469573e+00 -6.781469573e+00 2.96 -6.749092713e+00 -6.749092713e+00 2.98 -6.711346505e+00 -6.711346505e+00 3.00 -6.668228429e+00 -6.668228429e+00 3.02 -6.619789301e+00 -6.619789301e+00 3.04 -6.566130701e+00 -6.566130701e+00 3.06 -6.507404268e+00 -6.507404268e+00 3.08 -6.443777280e+00 -6.443777280e+00 3.10 -6.375442702e+00 -6.375442702e+00 3.12 -6.302607907e+00 -6.302607907e+00 3.14 -6.225511272e+00 -6.225511272e+00 3.16 -6.144397546e+00 -6.144397546e+00 3.18 -6.059539244e+00 -6.059539244e+00 3.20 -5.971235797e+00 -5.971235797e+00 3.22 -5.879813709e+00 -5.879813709e+00 3.24 -5.785621473e+00 -5.785621473e+00 3.26 -5.689037198e+00 -5.689037198e+00 3.28 -5.590465660e+00 -5.590465660e+00 3.30 -5.490330595e+00 -5.490330595e+00 3.32 -5.389061713e+00 -5.389061713e+00 3.34 -5.287077053e+00 -5.287077053e+00 3.36 -5.184708091e+00 -5.184708091e+00 3.38 -5.082127292e+00 -5.082127292e+00 3.40 -4.979476285e+00 -4.979476285e+00 3.42 -4.876883340e+00 -4.876883340e+00 3.44 -4.774445720e+00 -4.774445720e+00 3.46 -4.672234585e+00 -4.672234585e+00 3.48 -4.570294008e+00 -4.570294008e+00 3.50 -4.468644258e+00 -4.468644258e+00 3.52 -4.367286295e+00 -4.367286295e+00 3.54 -4.266206756e+00 -4.266206756e+00 3.56 -4.165383074e+00 -4.165383074e+00 3.58 -4.064788601e+00 -4.064788601e+00 3.60 -3.964397714e+00 -3.964397714e+00 3.62 -3.864190951e+00 -3.864190951e+00 3.64 -3.764160196e+00 -3.764160196e+00 3.66 -3.664313855e+00 -3.664313855e+00 3.68 -3.564681940e+00 -3.564681940e+00 3.70 -3.465320849e+00 -3.465320849e+00 3.72 -3.366317570e+00 -3.366317570e+00 3.74 -3.267792951e+00 -3.267792951e+00 3.76 -3.169903601e+00 -3.169903601e+00 3.78 -3.072841963e+00 -3.072841963e+00 3.80 -2.976834059e+00 -2.976834059e+00 3.82 -2.882134531e+00 -2.882134531e+00 3.84 -2.789018728e+00 -2.789018728e+00 3.86 -2.697771963e+00 -2.697771963e+00 3.88 -2.608676475e+00 -2.608676475e+00 3.90 -2.521997173e+00 -2.521997173e+00 3.92 -2.437964123e+00 -2.437964123e+00 3.94 -2.356775497e+00 -2.356775497e+00 3.96 -2.278565460e+00 -2.278565460e+00 3.98 -2.203416691e+00 -2.203416691e+00 4.00 -2.131356408e+00 -2.131356408e+00 4.02 -2.062360828e+00 -2.062360828e+00 4.04 -1.996362548e+00 -1.996362548e+00 4.06 -1.933259542e+00 -1.933259542e+00 4.08 -1.872924584e+00 -1.872924584e+00 4.10 -1.815205237e+00 -1.815205237e+00 4.12 -1.759968879e+00 -1.759968879e+00 4.14 -1.707050302e+00 -1.707050302e+00 4.16 -1.656297902e+00 -1.656297902e+00 4.18 -1.607566190e+00 -1.607566190e+00 4.20 -1.560718095e+00 -1.560718095e+00 4.22 -1.515626304e+00 -1.515626304e+00 4.24 -1.472173848e+00 -1.472173848e+00 4.26 -1.430254146e+00 -1.430254146e+00 4.28 -1.389770660e+00 -1.389770660e+00 4.30 -1.350636302e+00 -1.350636302e+00 4.32 -1.312772698e+00 -1.312772698e+00 4.34 -1.276109382e+00 -1.276109382e+00 4.36 -1.240582986e+00 -1.240582986e+00 4.38 -1.206136448e+00 -1.206136448e+00 4.40 -1.172718278e+00 -1.172718278e+00 4.42 -1.140281873e+00 -1.140281873e+00 4.44 -1.108784913e+00 -1.108784913e+00 4.46 -1.078188819e+00 -1.078188819e+00 4.48 -1.048458268e+00 -1.048458268e+00 4.50 -1.019560780e+00 -1.019560780e+00 4.52 -9.914663490e-01 -9.914663490e-01 4.54 -9.641471318e-01 -9.641471318e-01 4.56 -9.375771686e-01 -9.375771686e-01 4.58 -9.117321488e-01 -9.117321488e-01 4.60 -8.865892056e-01 -8.865892056e-01 4.62 -8.621267388e-01 -8.621267388e-01 4.64 -8.383242617e-01 -8.383242617e-01 4.66 -8.151622678e-01 -8.151622678e-01 4.68 -7.926221158e-01 -7.926221158e-01 4.70 -7.706859285e-01 -7.706859285e-01 4.72 -7.493365045e-01 -7.493365045e-01 4.74 -7.285572410e-01 -7.285572410e-01 4.76 -7.083320648e-01 -7.083320648e-01 4.78 -6.886453712e-01 -6.886453712e-01 4.80 -6.694757614e-01 -6.694757614e-01 4.82 -6.508218783e-01 -6.508218783e-01 4.84 -6.326617694e-01 -6.326617694e-01 4.86 -6.149812373e-01 -6.149812373e-01 4.88 -5.977663177e-01 -5.977663177e-01 4.90 -5.810032459e-01 -5.810032459e-01 4.92 -5.646784242e-01 -5.646784242e-01 4.94 -5.487783931e-01 -5.487783931e-01 4.96 -5.332898037e-01 -5.332898037e-01 4.98 -5.181993942e-01 -5.181993942e-01 5.00 -5.034939694e-01 -5.034939694e-01 5.02 -4.891603849e-01 -4.891603849e-01 5.04 -4.751855376e-01 -4.751855376e-01 5.06 -4.615563626e-01 -4.615563626e-01 5.08 -4.482598411e-01 -4.482598411e-01 5.10 -4.352830191e-01 -4.352830191e-01 5.12 -4.226130415e-01 -4.226130415e-01 5.14 -4.102372041e-01 -4.102372041e-01 5.16 -3.981430267e-01 -3.981430267e-01 5.18 -3.863183514e-01 -3.863183514e-01 5.20 -3.747514677e-01 -3.747514677e-01 5.22 -3.634312673e-01 -3.634312673e-01 5.24 -3.523474276e-01 -3.523474276e-01 5.26 -3.414906229e-01 -3.414906229e-01 5.28 -3.308527563e-01 -3.308527563e-01 5.30 -3.204272021e-01 -3.204272021e-01 5.32 -3.102090439e-01 -3.102090439e-01 5.34 -3.001952874e-01 -3.001952874e-01 5.36 -2.903850236e-01 -2.903850236e-01 5.38 -2.807795148e-01 -2.807795148e-01 5.40 -2.713821746e-01 -2.713821746e-01 5.42 -2.621984225e-01 -2.621984225e-01 5.44 -2.532353958e-01 -2.532353958e-01 5.46 -2.445015219e-01 -2.445015219e-01 5.48 -2.360059655e-01 -2.360059655e-01 5.50 -2.277579864e-01 -2.277579864e-01 5.52 -2.197662573e-01 -2.197662573e-01 5.54 -2.120381971e-01 -2.120381971e-01 5.56 -2.045793804e-01 -2.045793804e-01 5.58 -1.973930723e-01 -1.973930723e-01 5.60 -1.904796940e-01 -1.904796940e-01 5.62 -1.838370407e-01 -1.838370407e-01 5.64 -1.774605498e-01 -1.774605498e-01 5.66 -1.713430788e-01 -1.713430788e-01 5.68 -1.654752265e-01 -1.654752265e-01 5.70 -1.598457287e-01 -1.598457287e-01 5.72 -1.544418845e-01 -1.544418845e-01 5.74 -1.492499773e-01 -1.492499773e-01 5.76 -1.442556642e-01 -1.442556642e-01 5.78 -1.394443146e-01 -1.394443146e-01 5.80 -1.348012911e-01 -1.348012911e-01 5.82 -1.303121696e-01 -1.303121696e-01 5.84 -1.259629043e-01 -1.259629043e-01 5.86 -1.217399442e-01 -1.217399442e-01 5.88 -1.176303120e-01 -1.176303120e-01 5.90 -1.136216538e-01 -1.136216538e-01 5.92 -1.097022717e-01 -1.097022717e-01 5.94 -1.058611479e-01 -1.058611479e-01 5.96 -1.020879669e-01 -1.020879669e-01 5.98 -9.837314607e-02 -9.837314607e-02 6.00 -9.470787580e-02 -9.470787580e-02