# 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 = Mg2PdTi # 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 3.582475592e+02 3.582475592e+02 1.30 3.320797792e+02 3.320797792e+02 1.32 3.078641257e+02 3.078641257e+02 1.34 2.854435559e+02 2.854435559e+02 1.36 2.646748403e+02 2.646748403e+02 1.38 2.454269221e+02 2.454269221e+02 1.40 2.275794669e+02 2.275794669e+02 1.42 2.110220547e+02 2.110220547e+02 1.44 1.956540843e+02 1.956540843e+02 1.46 1.813846581e+02 1.813846581e+02 1.48 1.681317108e+02 1.681317108e+02 1.50 1.558205418e+02 1.558205418e+02 1.52 1.443823952e+02 1.443823952e+02 1.54 1.337534059e+02 1.337534059e+02 1.56 1.238739498e+02 1.238739498e+02 1.58 1.146883361e+02 1.146883361e+02 1.60 1.061447647e+02 1.061447647e+02 1.62 9.819543485e+01 9.819543485e+01 1.64 9.079666517e+01 9.079666517e+01 1.66 8.390891408e+01 8.390891408e+01 1.68 7.750275542e+01 7.750275542e+01 1.70 7.155672145e+01 7.155672145e+01 1.72 6.603784577e+01 6.603784577e+01 1.74 6.091531179e+01 6.091531179e+01 1.76 5.616048948e+01 5.616048948e+01 1.78 5.174688574e+01 5.174688574e+01 1.80 4.765003985e+01 4.765003985e+01 1.82 4.384733307e+01 4.384733307e+01 1.84 4.031777892e+01 4.031777892e+01 1.86 3.704185059e+01 3.704185059e+01 1.88 3.400134859e+01 3.400134859e+01 1.90 3.117931314e+01 3.117931314e+01 1.92 2.855997341e+01 2.855997341e+01 1.94 2.612872408e+01 2.612872408e+01 1.96 2.387211600e+01 2.387211600e+01 1.98 2.177782751e+01 2.177782751e+01 2.00 1.983458266e+01 1.983458266e+01 2.02 1.803201314e+01 1.803201314e+01 2.04 1.636050457e+01 1.636050457e+01 2.06 1.481107486e+01 1.481107486e+01 2.08 1.337530619e+01 1.337530619e+01 2.10 1.204532292e+01 1.204532292e+01 2.12 1.081378519e+01 1.081378519e+01 2.14 9.673876818e+00 9.673876818e+00 2.16 8.619279611e+00 8.619279611e+00 2.18 7.644134182e+00 7.644134182e+00 2.20 6.742996086e+00 6.742996086e+00 2.22 5.910787836e+00 5.910787836e+00 2.24 5.142756655e+00 5.142756655e+00 2.26 4.434441887e+00 4.434441887e+00 2.28 3.781653077e+00 3.781653077e+00 2.30 3.180464182e+00 3.180464182e+00 2.32 2.627208728e+00 2.627208728e+00 2.34 2.118481664e+00 2.118481664e+00 2.36 1.651130427e+00 1.651130427e+00 2.38 1.222237263e+00 1.222237263e+00 2.40 8.290907755e-01 8.290907755e-01 2.42 4.691518653e-01 4.691518653e-01 2.44 1.400240107e-01 1.400240107e-01 2.46 -1.605841521e-01 -1.605841521e-01 2.48 -4.348861195e-01 -4.348861195e-01 2.50 -6.848750872e-01 -6.848750872e-01 2.52 -9.124204911e-01 -9.124204911e-01 2.54 -1.119261744e+00 -1.119261744e+00 2.56 -1.306990381e+00 -1.306990381e+00 2.58 -1.477043265e+00 -1.477043265e+00 2.60 -1.630709248e+00 -1.630709248e+00 2.62 -1.769316687e+00 -1.769316687e+00 2.64 -1.893964084e+00 -1.893964084e+00 2.66 -2.005324569e+00 -2.005324569e+00 2.68 -2.104065923e+00 -2.104065923e+00 2.70 -2.190853858e+00 -2.190853858e+00 2.72 -2.266349971e+00 -2.266349971e+00 2.74 -2.331208078e+00 -2.331208078e+00 2.76 -2.386070179e+00 -2.386070179e+00 2.78 -2.431573688e+00 -2.431573688e+00 2.80 -2.468379855e+00 -2.468379855e+00 2.82 -2.497134355e+00 -2.497134355e+00 2.84 -2.518460337e+00 -2.518460337e+00 2.86 -2.532963441e+00 -2.532963441e+00 2.88 -2.541236174e+00 -2.541236174e+00 2.90 -2.543859738e+00 -2.543859738e+00 2.92 -2.541402187e+00 -2.541402187e+00 2.94 -2.534412989e+00 -2.534412989e+00 2.96 -2.523415361e+00 -2.523415361e+00 2.98 -2.508898490e+00 -2.508898490e+00 3.00 -2.491311486e+00 -2.491311486e+00 3.02 -2.471059850e+00 -2.471059850e+00 3.04 -2.448503856e+00 -2.448503856e+00 3.06 -2.423959989e+00 -2.423959989e+00 3.08 -2.397700218e+00 -2.397700218e+00 3.10 -2.369955987e+00 -2.369955987e+00 3.12 -2.340921445e+00 -2.340921445e+00 3.14 -2.310760788e+00 -2.310760788e+00 3.16 -2.279611711e+00 -2.279611711e+00 3.18 -2.247593926e+00 -2.247593926e+00 3.20 -2.214814276e+00 -2.214814276e+00 3.22 -2.181371307e+00 -2.181371307e+00 3.24 -2.147358598e+00 -2.147358598e+00 3.26 -2.112866893e+00 -2.112866893e+00 3.28 -2.077985084e+00 -2.077985084e+00 3.30 -2.042815019e+00 -2.042815019e+00 3.32 -2.007459173e+00 -2.007459173e+00 3.34 -1.971967653e+00 -1.971967653e+00 3.36 -1.936389405e+00 -1.936389405e+00 3.38 -1.900772091e+00 -1.900772091e+00 3.40 -1.865161065e+00 -1.865161065e+00 3.42 -1.829599909e+00 -1.829599909e+00 3.44 -1.794131023e+00 -1.794131023e+00 3.46 -1.758797666e+00 -1.758797666e+00 3.48 -1.723638029e+00 -1.723638029e+00 3.50 -1.688657426e+00 -1.688657426e+00 3.52 -1.653860905e+00 -1.653860905e+00 3.54 -1.619266921e+00 -1.619266921e+00 3.56 -1.584903672e+00 -1.584903672e+00 3.58 -1.550804831e+00 -1.550804831e+00 3.60 -1.517005019e+00 -1.517005019e+00 3.62 -1.483535711e+00 -1.483535711e+00 3.64 -1.450422183e+00 -1.450422183e+00 3.66 -1.417681911e+00 -1.417681911e+00 3.68 -1.385324412e+00 -1.385324412e+00 3.70 -1.353352262e+00 -1.353352262e+00 3.72 -1.321762839e+00 -1.321762839e+00 3.74 -1.290550319e+00 -1.290550319e+00 3.76 -1.259707578e+00 -1.259707578e+00 3.78 -1.229227785e+00 -1.229227785e+00 3.80 -1.199105561e+00 -1.199105561e+00 3.82 -1.169337731e+00 -1.169337731e+00 3.84 -1.139923654e+00 -1.139923654e+00 3.86 -1.110865228e+00 -1.110865228e+00 3.88 -1.082166630e+00 -1.082166630e+00 3.90 -1.053833893e+00 -1.053833893e+00 3.92 -1.025874268e+00 -1.025874268e+00 3.94 -9.982965587e-01 -9.982965587e-01 3.96 -9.711097381e-01 -9.711097381e-01 3.98 -9.443237437e-01 -9.443237437e-01 4.00 -9.179494413e-01 -9.179494413e-01 4.02 -8.919989340e-01 -8.919989340e-01 4.04 -8.664858875e-01 -8.664858875e-01 4.06 -8.414257431e-01 -8.414257431e-01 4.08 -8.168357015e-01 -8.168357015e-01 4.10 -7.927337583e-01 -7.927337583e-01 4.12 -7.691407068e-01 -7.691407068e-01 4.14 -7.460749495e-01 -7.460749495e-01 4.16 -7.235543103e-01 -7.235543103e-01 4.18 -7.015940102e-01 -7.015940102e-01 4.20 -6.802055393e-01 -6.802055393e-01 4.22 -6.593957777e-01 -6.593957777e-01 4.24 -6.391664641e-01 -6.391664641e-01 4.26 -6.195140570e-01 -6.195140570e-01 4.28 -6.004299658e-01 -6.004299658e-01 4.30 -5.819010838e-01 -5.819010838e-01 4.32 -5.639105237e-01 -5.639105237e-01 4.34 -5.464384499e-01 -5.464384499e-01 4.36 -5.294629183e-01 -5.294629183e-01 4.38 -5.129606516e-01 -5.129606516e-01 4.40 -4.969077134e-01 -4.969077134e-01 4.42 -4.812800626e-01 -4.812800626e-01 4.44 -4.660539945e-01 -4.660539945e-01 4.46 -4.512064887e-01 -4.512064887e-01 4.48 -4.367154865e-01 -4.367154865e-01 4.50 -4.225601292e-01 -4.225601292e-01 4.52 -4.087209799e-01 -4.087209799e-01 4.54 -3.951802516e-01 -3.951802516e-01 4.56 -3.819220531e-01 -3.819220531e-01 4.58 -3.689326564e-01 -3.689326564e-01 4.60 -3.562007801e-01 -3.562007801e-01 4.62 -3.437178702e-01 -3.437178702e-01 4.64 -3.314783507e-01 -3.314783507e-01 4.66 -3.194798104e-01 -3.194798104e-01 4.68 -3.077230830e-01 -3.077230830e-01 4.70 -2.962121840e-01 -2.962121840e-01 4.72 -2.849540735e-01 -2.849540735e-01 4.74 -2.739582283e-01 -2.739582283e-01 4.76 -2.632360328e-01 -2.632360328e-01 4.78 -2.528000190e-01 -2.528000190e-01 4.80 -2.426626014e-01 -2.426626014e-01 4.82 -2.328369218e-01 -2.328369218e-01 4.84 -2.233333423e-01 -2.233333423e-01 4.86 -2.141606600e-01 -2.141606600e-01 4.88 -2.053251314e-01 -2.053251314e-01 4.90 -1.968302190e-01 -1.968302190e-01 4.92 -1.886765594e-01 -1.886765594e-01 4.94 -1.808621225e-01 -1.808621225e-01 4.96 -1.733825077e-01 -1.733825077e-01 4.98 -1.662313150e-01 -1.662313150e-01 5.00 -1.594005302e-01 -1.594005302e-01 5.02 -1.528808749e-01 -1.528808749e-01 5.04 -1.466620918e-01 -1.466620918e-01 5.06 -1.407331543e-01 -1.407331543e-01 5.08 -1.350824099e-01 -1.350824099e-01 5.10 -1.296976769e-01 -1.296976769e-01 5.12 -1.245663196e-01 -1.245663196e-01 5.14 -1.196753250e-01 -1.196753250e-01 5.16 -1.150113970e-01 -1.150113970e-01 5.18 -1.105610749e-01 -1.105610749e-01 5.20 -1.063108734e-01 -1.063108734e-01 5.22 -1.022474375e-01 -1.022474375e-01 5.24 -9.835769800e-02 -9.835769800e-02 5.26 -9.462902010e-02 -9.462902010e-02 5.28 -9.104933313e-02 -9.104933313e-02 5.30 -8.760723552e-02 -8.760723552e-02 5.32 -8.429207146e-02 -8.429207146e-02 5.34 -8.109397867e-02 -8.109397867e-02 5.36 -7.800390834e-02 -7.800390834e-02 5.38 -7.501361927e-02 -7.501361927e-02 5.40 -7.211564965e-02 -7.211564965e-02 5.42 -6.930327082e-02 -6.930327082e-02 5.44 -6.657042598e-02 -6.657042598e-02 5.46 -6.391166071e-02 -6.391166071e-02 5.48 -6.132205165e-02 -6.132205165e-02 5.50 -5.879714044e-02 -5.879714044e-02 5.52 -5.633288051e-02 -5.633288051e-02 5.54 -5.392560366e-02 -5.392560366e-02 5.56 -5.157201314e-02 -5.157201314e-02 5.58 -4.926920266e-02 -4.926920266e-02 5.60 -4.701469765e-02 -4.701469765e-02 5.62 -4.480652820e-02 -4.480652820e-02 5.64 -4.264331215e-02 -4.264331215e-02 5.66 -4.052434070e-02 -4.052434070e-02 5.68 -3.844965330e-02 -3.844965330e-02 5.70 -3.642008758e-02 -3.642008758e-02 5.72 -3.443729130e-02 -3.443729130e-02 5.74 -3.250368553e-02 -3.250368553e-02 5.76 -3.062234916e-02 -3.062234916e-02 5.78 -2.879657982e-02 -2.879657982e-02 5.80 -2.702980755e-02 -2.702980755e-02 5.82 -2.532645418e-02 -2.532645418e-02 5.84 -2.369078074e-02 -2.369078074e-02 5.86 -2.212660088e-02 -2.212660088e-02 5.88 -2.063705351e-02 -2.063705351e-02 5.90 -1.922441975e-02 -1.922441975e-02 5.92 -1.788999820e-02 -1.788999820e-02 5.94 -1.663404589e-02 -1.663404589e-02 5.96 -1.545578497e-02 -1.545578497e-02 5.98 -1.435346873e-02 -1.435346873e-02 6.00 -1.332449576e-02 -1.332449576e-02