# 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 = CuFe2Ti # 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 1.789614021e+02 1.789614021e+02 1.30 1.637388887e+02 1.637388887e+02 1.32 1.497715460e+02 1.497715460e+02 1.34 1.369440595e+02 1.369440595e+02 1.36 1.251549506e+02 1.251549506e+02 1.38 1.143158616e+02 1.143158616e+02 1.40 1.043491768e+02 1.043491768e+02 1.42 9.518559728e+01 9.518559728e+01 1.44 8.676258258e+01 8.676258258e+01 1.46 7.902341748e+01 7.902341748e+01 1.48 7.191628926e+01 7.191628926e+01 1.50 6.539329310e+01 6.539329310e+01 1.52 5.940963476e+01 5.940963476e+01 1.54 5.392314223e+01 5.392314223e+01 1.56 4.889405084e+01 4.889405084e+01 1.58 4.428500905e+01 4.428500905e+01 1.60 4.006122671e+01 4.006122671e+01 1.62 3.619063405e+01 3.619063405e+01 1.64 3.264387468e+01 3.264387468e+01 1.66 2.939405109e+01 2.939405109e+01 1.68 2.641628632e+01 2.641628632e+01 1.70 2.368728395e+01 2.368728395e+01 1.72 2.118523137e+01 2.118523137e+01 1.74 1.889002611e+01 1.889002611e+01 1.76 1.678342594e+01 1.678342594e+01 1.78 1.484917970e+01 1.484917970e+01 1.80 1.307300433e+01 1.307300433e+01 1.82 1.144241462e+01 1.144241462e+01 1.84 9.946435672e+00 9.946435672e+00 1.86 8.575254381e+00 8.575254381e+00 1.88 7.319881940e+00 7.319881940e+00 1.90 6.171886585e+00 6.171886585e+00 1.92 5.123222410e+00 5.123222410e+00 1.94 4.166156926e+00 4.166156926e+00 1.96 3.293282298e+00 3.293282298e+00 1.98 2.497575075e+00 2.497575075e+00 2.00 1.772457167e+00 1.772457167e+00 2.02 1.111830636e+00 1.111830636e+00 2.04 5.100925756e-01 5.100925756e-01 2.06 -3.785163740e-02 -3.785163740e-02 2.08 -5.365734339e-01 -5.365734339e-01 2.10 -9.901199934e-01 -9.901199934e-01 2.12 -1.402045951e+00 -1.402045951e+00 2.14 -1.775482105e+00 -1.775482105e+00 2.16 -2.113227038e+00 -2.113227038e+00 2.18 -2.417841106e+00 -2.417841106e+00 2.20 -2.691726532e+00 -2.691726532e+00 2.22 -2.937185854e+00 -2.937185854e+00 2.24 -3.156455532e+00 -3.156455532e+00 2.26 -3.351715056e+00 -3.351715056e+00 2.28 -3.525075223e+00 -3.525075223e+00 2.30 -3.678551222e+00 -3.678551222e+00 2.32 -3.814028400e+00 -3.814028400e+00 2.34 -3.933225615e+00 -3.933225615e+00 2.36 -4.037665540e+00 -4.037665540e+00 2.38 -4.128660874e+00 -4.128660874e+00 2.40 -4.207324468e+00 -4.207324468e+00 2.42 -4.274658752e+00 -4.274658752e+00 2.44 -4.331444858e+00 -4.331444858e+00 2.46 -4.378334316e+00 -4.378334316e+00 2.48 -4.415948304e+00 -4.415948304e+00 2.50 -4.444896010e+00 -4.444896010e+00 2.52 -4.465782559e+00 -4.465782559e+00 2.54 -4.479208186e+00 -4.479208186e+00 2.56 -4.485703259e+00 -4.485703259e+00 2.58 -4.485683880e+00 -4.485683880e+00 2.60 -4.479802289e+00 -4.479802289e+00 2.62 -4.468319129e+00 -4.468319129e+00 2.64 -4.451368638e+00 -4.451368638e+00 2.66 -4.429136657e+00 -4.429136657e+00 2.68 -4.401855523e+00 -4.401855523e+00 2.70 -4.369793670e+00 -4.369793670e+00 2.72 -4.333245770e+00 -4.333245770e+00 2.74 -4.292537635e+00 -4.292537635e+00 2.76 -4.248020433e+00 -4.248020433e+00 2.78 -4.199840634e+00 -4.199840634e+00 2.80 -4.147964796e+00 -4.147964796e+00 2.82 -4.092398237e+00 -4.092398237e+00 2.84 -4.033194164e+00 -4.033194164e+00 2.86 -3.970453887e+00 -3.970453887e+00 2.88 -3.904326251e+00 -3.904326251e+00 2.90 -3.835004127e+00 -3.835004127e+00 2.92 -3.762717369e+00 -3.762717369e+00 2.94 -3.687723184e+00 -3.687723184e+00 2.96 -3.610295824e+00 -3.610295824e+00 2.98 -3.530717434e+00 -3.530717434e+00 3.00 -3.449270894e+00 -3.449270894e+00 3.02 -3.366234253e+00 -3.366234253e+00 3.04 -3.281875656e+00 -3.281875656e+00 3.06 -3.196448429e+00 -3.196448429e+00 3.08 -3.110186210e+00 -3.110186210e+00 3.10 -3.023300754e+00 -3.023300754e+00 3.12 -2.935983340e+00 -2.935983340e+00 3.14 -2.848411078e+00 -2.848411078e+00 3.16 -2.760756509e+00 -2.760756509e+00 3.18 -2.673199376e+00 -2.673199376e+00 3.20 -2.585937282e+00 -2.585937282e+00 3.22 -2.499193276e+00 -2.499193276e+00 3.24 -2.413218765e+00 -2.413218765e+00 3.26 -2.328291066e+00 -2.328291066e+00 3.28 -2.244705725e+00 -2.244705725e+00 3.30 -2.162764561e+00 -2.162764561e+00 3.32 -2.082760994e+00 -2.082760994e+00 3.34 -2.004964624e+00 -2.004964624e+00 3.36 -1.929607160e+00 -1.929607160e+00 3.38 -1.856871517e+00 -1.856871517e+00 3.40 -1.786885337e+00 -1.786885337e+00 3.42 -1.719719543e+00 -1.719719543e+00 3.44 -1.655391414e+00 -1.655391414e+00 3.46 -1.593871609e+00 -1.593871609e+00 3.48 -1.535093490e+00 -1.535093490e+00 3.50 -1.478963304e+00 -1.478963304e+00 3.52 -1.425369747e+00 -1.425369747e+00 3.54 -1.374191769e+00 -1.374191769e+00 3.56 -1.325304021e+00 -1.325304021e+00 3.58 -1.278579951e+00 -1.278579951e+00 3.60 -1.233893103e+00 -1.233893103e+00 3.62 -1.191117517e+00 -1.191117517e+00 3.64 -1.150128135e+00 -1.150128135e+00 3.66 -1.110801831e+00 -1.110801831e+00 3.68 -1.073019275e+00 -1.073019275e+00 3.70 -1.036667443e+00 -1.036667443e+00 3.72 -1.001642341e+00 -1.001642341e+00 3.74 -9.678514767e-01 -9.678514767e-01 3.76 -9.352156709e-01 -9.352156709e-01 3.78 -9.036699298e-01 -9.036699298e-01 3.80 -8.731632566e-01 -8.731632566e-01 3.82 -8.436574002e-01 -8.436574002e-01 3.84 -8.151246681e-01 -8.151246681e-01 3.86 -7.875450489e-01 -7.875450489e-01 3.88 -7.609029811e-01 -7.609029811e-01 3.90 -7.351841559e-01 -7.351841559e-01 3.92 -7.103727060e-01 -7.103727060e-01 3.94 -6.864492025e-01 -6.864492025e-01 3.96 -6.633892654e-01 -6.633892654e-01 3.98 -6.411632723e-01 -6.411632723e-01 4.00 -6.197366604e-01 -6.197366604e-01 4.02 -5.990707739e-01 -5.990707739e-01 4.04 -5.791240008e-01 -5.791240008e-01 4.06 -5.598528325e-01 -5.598528325e-01 4.08 -5.412131573e-01 -5.412131573e-01 4.10 -5.231616734e-01 -5.231616734e-01 4.12 -5.056563623e-01 -5.056563623e-01 4.14 -4.886566825e-01 -4.886566825e-01 4.16 -4.721244681e-01 -4.721244681e-01 4.18 -4.560242691e-01 -4.560242691e-01 4.20 -4.403237291e-01 -4.403237291e-01 4.22 -4.249939538e-01 -4.249939538e-01 4.24 -4.100098989e-01 -4.100098989e-01 4.26 -3.953507883e-01 -3.953507883e-01 4.28 -3.810005473e-01 -3.810005473e-01 4.30 -3.669482162e-01 -3.669482162e-01 4.32 -3.531882859e-01 -3.531882859e-01 4.34 -3.397208839e-01 -3.397208839e-01 4.36 -3.265517308e-01 -3.265517308e-01 4.38 -3.136917941e-01 -3.136917941e-01 4.40 -3.011565912e-01 -3.011565912e-01 4.42 -2.889651308e-01 -2.889651308e-01 4.44 -2.771385334e-01 -2.771385334e-01 4.46 -2.656984254e-01 -2.656984254e-01 4.48 -2.546652466e-01 -2.546652466e-01 4.50 -2.440566351e-01 -2.440566351e-01 4.52 -2.338860507e-01 -2.338860507e-01 4.54 -2.241617677e-01 -2.241617677e-01 4.56 -2.148863134e-01 -2.148863134e-01 4.58 -2.060563687e-01 -2.060563687e-01 4.60 -1.976630867e-01 -1.976630867e-01 4.62 -1.896927420e-01 -1.896927420e-01 4.64 -1.821276008e-01 -1.821276008e-01 4.66 -1.749468992e-01 -1.749468992e-01 4.68 -1.681278301e-01 -1.681278301e-01 4.70 -1.616464633e-01 -1.616464633e-01 4.72 -1.554785518e-01 -1.554785518e-01 4.74 -1.496001990e-01 -1.496001990e-01 4.76 -1.439883860e-01 -1.439883860e-01 4.78 -1.386213692e-01 -1.386213692e-01 4.80 -1.334789243e-01 -1.334789243e-01 4.82 -1.285427201e-01 -1.285427201e-01 4.84 -1.237961724e-01 -1.237961724e-01 4.86 -1.192247137e-01 -1.192247137e-01 4.88 -1.148157772e-01 -1.148157772e-01 4.90 -1.105587949e-01 -1.105587949e-01 4.92 -1.064451570e-01 -1.064451570e-01 4.94 -1.024681269e-01 -1.024681269e-01 4.96 -9.862270373e-02 -9.862270373e-02 4.98 -9.490542811e-02 -9.490542811e-02 5.00 -9.131412747e-02 -9.131412747e-02 5.02 -8.784760775e-02 -8.784760775e-02 5.04 -8.450530553e-02 -8.450530553e-02 5.06 -8.128692361e-02 -8.128692361e-02 5.08 -7.819203744e-02 -7.819203744e-02 5.10 -7.521977001e-02 -7.521977001e-02 5.12 -7.236876507e-02 -7.236876507e-02 5.14 -6.963685135e-02 -6.963685135e-02 5.16 -6.702095843e-02 -6.702095843e-02 5.18 -6.451713104e-02 -6.451713104e-02 5.20 -6.212061287e-02 -6.212061287e-02 5.22 -5.982597883e-02 -5.982597883e-02 5.24 -5.762729394e-02 -5.762729394e-02 5.26 -5.551827869e-02 -5.551827869e-02 5.28 -5.349246514e-02 -5.349246514e-02 5.30 -5.154333331e-02 -5.154333331e-02 5.32 -4.966442260e-02 -4.966442260e-02 5.34 -4.784941701e-02 -4.784941701e-02 5.36 -4.609220641e-02 -4.609220641e-02 5.38 -4.438692784e-02 -4.438692784e-02 5.40 -4.272799199e-02 -4.272799199e-02 5.42 -4.111010017e-02 -4.111010017e-02 5.44 -3.952825705e-02 -3.952825705e-02 5.46 -3.797778366e-02 -3.797778366e-02 5.48 -3.645433472e-02 -3.645433472e-02 5.50 -3.495392338e-02 -3.495392338e-02 5.52 -3.347295559e-02 -3.347295559e-02 5.54 -3.200827572e-02 -3.200827572e-02 5.56 -3.055722208e-02 -3.055722208e-02 5.58 -2.911769304e-02 -2.911769304e-02 5.60 -2.768821999e-02 -2.768821999e-02 5.62 -2.626804256e-02 -2.626804256e-02 5.64 -2.485718012e-02 -2.485718012e-02 5.66 -2.345649154e-02 -2.345649154e-02 5.68 -2.206771449e-02 -2.206771449e-02 5.70 -2.069347462e-02 -2.069347462e-02 5.72 -1.933725589e-02 -1.933725589e-02 5.74 -1.800332517e-02 -1.800332517e-02 5.76 -1.669660302e-02 -1.669660302e-02 5.78 -1.542225224e-02 -1.542225224e-02 5.80 -1.418590433e-02 -1.418590433e-02 5.82 -1.299338666e-02 -1.299338666e-02 5.84 -1.185028105e-02 -1.185028105e-02 5.86 -1.076167074e-02 -1.076167074e-02 5.88 -9.731914401e-03 -9.731914401e-03 5.90 -8.764465006e-03 -8.764465006e-03 5.92 -7.861746036e-03 -7.861746036e-03 5.94 -7.025091564e-03 -7.025091564e-03 5.96 -6.254749812e-03 -6.254749812e-03 5.98 -5.549943758e-03 -5.549943758e-03 6.00 -4.908977778e-03 -4.908977778e-03