# 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 = CuW2Zr # 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 3.383244143e+02 3.383244143e+02 1.30 3.124585029e+02 3.124585029e+02 1.32 2.886066613e+02 2.886066613e+02 1.34 2.665947775e+02 2.665947775e+02 1.36 2.462587379e+02 2.462587379e+02 1.38 2.274469383e+02 2.274469383e+02 1.40 2.100234068e+02 2.100234068e+02 1.42 1.938690415e+02 1.938690415e+02 1.44 1.788804123e+02 1.788804123e+02 1.46 1.649672394e+02 1.649672394e+02 1.48 1.520497508e+02 1.520497508e+02 1.50 1.400564377e+02 1.400564377e+02 1.52 1.289225019e+02 1.289225019e+02 1.54 1.185889414e+02 1.185889414e+02 1.56 1.090020508e+02 1.090020508e+02 1.58 1.001130263e+02 1.001130263e+02 1.60 9.187734586e+01 9.187734586e+01 1.62 8.425382291e+01 8.425382291e+01 1.64 7.720353282e+01 7.720353282e+01 1.66 7.068891607e+01 7.068891607e+01 1.68 6.467325251e+01 6.467325251e+01 1.70 5.912059147e+01 5.912059147e+01 1.72 5.399586194e+01 5.399586194e+01 1.74 4.926507713e+01 4.926507713e+01 1.76 4.489557076e+01 4.489557076e+01 1.78 4.085633810e+01 4.085633810e+01 1.80 3.711843663e+01 3.711843663e+01 1.82 3.365542054e+01 3.365542054e+01 1.84 3.044362380e+01 3.044362380e+01 1.86 2.746235721e+01 2.746235721e+01 1.88 2.469389427e+01 2.469389427e+01 1.90 2.212321609e+01 2.212321609e+01 1.92 1.973762771e+01 1.973762771e+01 1.94 1.752703451e+01 1.752703451e+01 1.96 1.548182178e+01 1.548182178e+01 1.98 1.359224788e+01 1.359224788e+01 2.00 1.184882502e+01 1.184882502e+01 2.02 1.024220976e+01 1.024220976e+01 2.04 8.763188806e+00 8.763188806e+00 2.06 7.402593956e+00 7.402593956e+00 2.08 6.151299796e+00 6.151299796e+00 2.10 5.000296916e+00 5.000296916e+00 2.12 3.940841837e+00 3.940841837e+00 2.14 2.964658953e+00 2.964658953e+00 2.16 2.064159367e+00 2.064159367e+00 2.18 1.232592786e+00 1.232592786e+00 2.20 4.641032858e-01 4.641032858e-01 2.22 -2.463305178e-01 -2.463305178e-01 2.24 -9.030179078e-01 -9.030179078e-01 2.26 -1.509700284e+00 -1.509700284e+00 2.28 -2.069698054e+00 -2.069698054e+00 2.30 -2.586000537e+00 -2.586000537e+00 2.32 -3.061372995e+00 -3.061372995e+00 2.34 -3.498378667e+00 -3.498378667e+00 2.36 -3.899422031e+00 -3.899422031e+00 2.38 -4.266756358e+00 -4.266756358e+00 2.40 -4.602494945e+00 -4.602494945e+00 2.42 -4.908630891e+00 -4.908630891e+00 2.44 -5.187052333e+00 -5.187052333e+00 2.46 -5.439559335e+00 -5.439559335e+00 2.48 -5.667864735e+00 -5.667864735e+00 2.50 -5.873583676e+00 -5.873583676e+00 2.52 -6.058216268e+00 -6.058216268e+00 2.54 -6.223130518e+00 -6.223130518e+00 2.56 -6.369551799e+00 -6.369551799e+00 2.58 -6.498563279e+00 -6.498563279e+00 2.60 -6.611087654e+00 -6.611087654e+00 2.62 -6.707840647e+00 -6.707840647e+00 2.64 -6.789715776e+00 -6.789715776e+00 2.66 -6.857572836e+00 -6.857572836e+00 2.68 -6.912238988e+00 -6.912238988e+00 2.70 -6.954524776e+00 -6.954524776e+00 2.72 -6.985233143e+00 -6.985233143e+00 2.74 -7.005158968e+00 -7.005158968e+00 2.76 -7.015118316e+00 -7.015118316e+00 2.78 -7.015669143e+00 -7.015669143e+00 2.80 -7.006850424e+00 -7.006850424e+00 2.82 -6.988703995e+00 -6.988703995e+00 2.84 -6.961335021e+00 -6.961335021e+00 2.86 -6.924910220e+00 -6.924910220e+00 2.88 -6.879664827e+00 -6.879664827e+00 2.90 -6.825912860e+00 -6.825912860e+00 2.92 -6.764041660e+00 -6.764041660e+00 2.94 -6.694417924e+00 -6.694417924e+00 2.96 -6.617472357e+00 -6.617472357e+00 2.98 -6.533749121e+00 -6.533749121e+00 3.00 -6.443881979e+00 -6.443881979e+00 3.02 -6.348562482e+00 -6.348562482e+00 3.04 -6.248501502e+00 -6.248501502e+00 3.06 -6.144407756e+00 -6.144407756e+00 3.08 -6.037132513e+00 -6.037132513e+00 3.10 -5.927144459e+00 -5.927144459e+00 3.12 -5.814683689e+00 -5.814683689e+00 3.14 -5.699923676e+00 -5.699923676e+00 3.16 -5.582946807e+00 -5.582946807e+00 3.18 -5.463768664e+00 -5.463768664e+00 3.20 -5.342349343e+00 -5.342349343e+00 3.22 -5.218618589e+00 -5.218618589e+00 3.24 -5.092531313e+00 -5.092531313e+00 3.26 -4.964071112e+00 -4.964071112e+00 3.28 -4.833254694e+00 -4.833254694e+00 3.30 -4.700151518e+00 -4.700151518e+00 3.32 -4.564898271e+00 -4.564898271e+00 3.34 -4.427707640e+00 -4.427707640e+00 3.36 -4.288872235e+00 -4.288872235e+00 3.38 -4.148765015e+00 -4.148765015e+00 3.40 -4.007836226e+00 -4.007836226e+00 3.42 -3.866612631e+00 -3.866612631e+00 3.44 -3.725682624e+00 -3.725682624e+00 3.46 -3.585687002e+00 -3.585687002e+00 3.48 -3.447298171e+00 -3.447298171e+00 3.50 -3.311195242e+00 -3.311195242e+00 3.52 -3.178035756e+00 -3.178035756e+00 3.54 -3.048426968e+00 -3.048426968e+00 3.56 -2.922899854e+00 -2.922899854e+00 3.58 -2.801888667e+00 -2.801888667e+00 3.60 -2.685717922e+00 -2.685717922e+00 3.62 -2.574597569e+00 -2.574597569e+00 3.64 -2.468626041e+00 -2.468626041e+00 3.66 -2.367799969e+00 -2.367799969e+00 3.68 -2.272028848e+00 -2.272028848e+00 3.70 -2.181152769e+00 -2.181152769e+00 3.72 -2.094961382e+00 -2.094961382e+00 3.74 -2.013212516e+00 -2.013212516e+00 3.76 -1.935649200e+00 -1.935649200e+00 3.78 -1.862014142e+00 -1.862014142e+00 3.80 -1.792060988e+00 -1.792060988e+00 3.82 -1.725561969e+00 -1.725561969e+00 3.84 -1.662311812e+00 -1.662311812e+00 3.86 -1.602128096e+00 -1.602128096e+00 3.88 -1.544848607e+00 -1.544848607e+00 3.90 -1.490326582e+00 -1.490326582e+00 3.92 -1.438423562e+00 -1.438423562e+00 3.94 -1.389009818e+00 -1.389009818e+00 3.96 -1.341950634e+00 -1.341950634e+00 3.98 -1.297110428e+00 -1.297110428e+00 4.00 -1.254350393e+00 -1.254350393e+00 4.02 -1.213529525e+00 -1.213529525e+00 4.04 -1.174506729e+00 -1.174506729e+00 4.06 -1.137143366e+00 -1.137143366e+00 4.08 -1.101305743e+00 -1.101305743e+00 4.10 -1.066861492e+00 -1.066861492e+00 4.12 -1.033704896e+00 -1.033704896e+00 4.14 -1.001720192e+00 -1.001720192e+00 4.16 -9.708084938e-01 -9.708084938e-01 4.18 -9.408808001e-01 -9.408808001e-01 4.20 -9.118575646e-01 -9.118575646e-01 4.22 -8.836692173e-01 -8.836692173e-01 4.24 -8.562555086e-01 -8.562555086e-01 4.26 -8.295651197e-01 -8.295651197e-01 4.28 -8.035555989e-01 -8.035555989e-01 4.30 -7.781932927e-01 -7.781932927e-01 4.32 -7.534532342e-01 -7.534532342e-01 4.34 -7.293189197e-01 -7.293189197e-01 4.36 -7.057818906e-01 -7.057818906e-01 4.38 -6.828410426e-01 -6.828410426e-01 4.40 -6.605016047e-01 -6.605016047e-01 4.42 -6.387737742e-01 -6.387737742e-01 4.44 -6.176710483e-01 -6.176710483e-01 4.46 -5.972083477e-01 -5.972083477e-01 4.48 -5.774000802e-01 -5.774000802e-01 4.50 -5.582583132e-01 -5.582583132e-01 4.52 -5.397912242e-01 -5.397912242e-01 4.54 -5.220019641e-01 -5.220019641e-01 4.56 -5.048880104e-01 -5.048880104e-01 4.58 -4.884410226e-01 -4.884410226e-01 4.60 -4.726471491e-01 -4.726471491e-01 4.62 -4.574876904e-01 -4.574876904e-01 4.64 -4.429399974e-01 -4.429399974e-01 4.66 -4.289784822e-01 -4.289784822e-01 4.68 -4.155756356e-01 -4.155756356e-01 4.70 -4.027029666e-01 -4.027029666e-01 4.72 -3.903318128e-01 -3.903318128e-01 4.74 -3.784339942e-01 -3.784339942e-01 4.76 -3.669823057e-01 -3.669823057e-01 4.78 -3.559508583e-01 -3.559508583e-01 4.80 -3.453121136e-01 -3.453121136e-01 4.82 -3.350502343e-01 -3.350502343e-01 4.84 -3.251403259e-01 -3.251403259e-01 4.86 -3.155629317e-01 -3.155629317e-01 4.88 -3.063001182e-01 -3.063001182e-01 4.90 -2.973353661e-01 -2.973353661e-01 4.92 -2.886534479e-01 -2.886534479e-01 4.94 -2.802403008e-01 -2.802403008e-01 4.96 -2.720828998e-01 -2.720828998e-01 4.98 -2.641691376e-01 -2.641691376e-01 5.00 -2.564877130e-01 -2.564877130e-01 5.02 -2.490280297e-01 -2.490280297e-01 5.04 -2.417801069e-01 -2.417801069e-01 5.06 -2.347345014e-01 -2.347345014e-01 5.08 -2.278822434e-01 -2.278822434e-01 5.10 -2.212147840e-01 -2.212147840e-01 5.12 -2.147239568e-01 -2.147239568e-01 5.14 -2.084019524e-01 -2.084019524e-01 5.16 -2.022413075e-01 -2.022413075e-01 5.18 -1.962349081e-01 -1.962349081e-01 5.20 -1.903760083e-01 -1.903760083e-01 5.22 -1.846582631e-01 -1.846582631e-01 5.24 -1.790757767e-01 -1.790757767e-01 5.26 -1.736231631e-01 -1.736231631e-01 5.28 -1.682956175e-01 -1.682956175e-01 5.30 -1.630889942e-01 -1.630889942e-01 5.32 -1.579998832e-01 -1.579998832e-01 5.34 -1.530256812e-01 -1.530256812e-01 5.36 -1.481646424e-01 -1.481646424e-01 5.38 -1.434159040e-01 -1.434159040e-01 5.40 -1.387794710e-01 -1.387794710e-01 5.42 -1.342561552e-01 -1.342561552e-01 5.44 -1.298474616e-01 -1.298474616e-01 5.46 -1.255554220e-01 -1.255554220e-01 5.48 -1.213823829e-01 -1.213823829e-01 5.50 -1.173307597e-01 -1.173307597e-01 5.52 -1.134027763e-01 -1.134027763e-01 5.54 -1.096002109e-01 -1.096002109e-01 5.56 -1.059241706e-01 -1.059241706e-01 5.58 -1.023749136e-01 -1.023749136e-01 5.60 -9.895164962e-02 -9.895164962e-02 5.62 -9.565261271e-02 -9.565261271e-02 5.64 -9.247515380e-02 -9.247515380e-02 5.66 -8.941566341e-02 -8.941566341e-02 5.68 -8.646968970e-02 -8.646968970e-02 5.70 -8.363208445e-02 -8.363208445e-02 5.72 -8.089716074e-02 -8.089716074e-02 5.74 -7.825884896e-02 -7.825884896e-02 5.76 -7.571084110e-02 -7.571084110e-02 5.78 -7.324671653e-02 -7.324671653e-02 5.80 -7.086004638e-02 -7.086004638e-02 5.82 -6.854447587e-02 -6.854447587e-02 5.84 -6.629378647e-02 -6.629378647e-02 5.86 -6.410194088e-02 -6.410194088e-02 5.88 -6.196311467e-02 -6.196311467e-02 5.90 -5.987171867e-02 -5.987171867e-02 5.92 -5.782241616e-02 -5.782241616e-02 5.94 -5.581013858e-02 -5.581013858e-02 5.96 -5.383010304e-02 -5.383010304e-02 5.98 -5.187783445e-02 -5.187783445e-02 6.00 -4.994919455e-02 -4.994919455e-02