# 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 = Al2MoZr # 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 1.934806413e+02 1.934806413e+02 1.30 1.800107327e+02 1.800107327e+02 1.32 1.675036445e+02 1.675036445e+02 1.34 1.558823201e+02 1.558823201e+02 1.36 1.450763505e+02 1.450763505e+02 1.38 1.350222278e+02 1.350222278e+02 1.40 1.256627102e+02 1.256627102e+02 1.42 1.169452421e+02 1.169452421e+02 1.44 1.088203616e+02 1.088203616e+02 1.46 1.012410612e+02 1.012410612e+02 1.48 9.416356260e+01 9.416356260e+01 1.50 8.754888588e+01 8.754888588e+01 1.52 8.136382693e+01 8.136382693e+01 1.54 7.558042240e+01 7.558042240e+01 1.56 7.017442746e+01 7.017442746e+01 1.58 6.512373531e+01 6.512373531e+01 1.60 6.040723395e+01 6.040723395e+01 1.62 5.600408700e+01 5.600408700e+01 1.64 5.189342242e+01 5.189342242e+01 1.66 4.805438817e+01 4.805438817e+01 1.68 4.446659424e+01 4.446659424e+01 1.70 4.111081443e+01 4.111081443e+01 1.72 3.796955426e+01 3.796955426e+01 1.74 3.502724857e+01 3.502724857e+01 1.76 3.227009980e+01 3.227009980e+01 1.78 2.968589403e+01 2.968589403e+01 1.80 2.726403156e+01 2.726403156e+01 1.82 2.499562054e+01 2.499562054e+01 1.84 2.287255242e+01 2.287255242e+01 1.86 2.088615464e+01 2.088615464e+01 1.88 1.902914180e+01 1.902914180e+01 1.90 1.729665410e+01 1.729665410e+01 1.92 1.568138941e+01 1.568138941e+01 1.94 1.417600958e+01 1.417600958e+01 1.96 1.277334300e+01 1.277334300e+01 1.98 1.146640569e+01 1.146640569e+01 2.00 1.024851076e+01 1.024851076e+01 2.02 9.113397140e+00 9.113397140e+00 2.04 8.055309733e+00 8.055309733e+00 2.06 7.068984641e+00 7.068984641e+00 2.08 6.149548039e+00 6.149548039e+00 2.10 5.292404601e+00 5.292404601e+00 2.12 4.493159393e+00 4.493159393e+00 2.14 3.747610365e+00 3.747610365e+00 2.16 3.051795175e+00 3.051795175e+00 2.18 2.402047049e+00 2.402047049e+00 2.20 1.795042087e+00 1.795042087e+00 2.22 1.227803754e+00 1.227803754e+00 2.24 6.976879677e-01 6.976879677e-01 2.26 2.023577799e-01 2.023577799e-01 2.28 -2.602544358e-01 -2.602544358e-01 2.30 -6.919590206e-01 -6.919590206e-01 2.32 -1.094357015e+00 -1.094357015e+00 2.34 -1.468865905e+00 -1.468865905e+00 2.36 -1.816766086e+00 -1.816766086e+00 2.38 -2.139239646e+00 -2.139239646e+00 2.40 -2.437407649e+00 -2.437407649e+00 2.42 -2.712366141e+00 -2.712366141e+00 2.44 -2.965206661e+00 -2.965206661e+00 2.46 -3.197033241e+00 -3.197033241e+00 2.48 -3.408962585e+00 -3.408962585e+00 2.50 -3.602116645e+00 -3.602116645e+00 2.52 -3.777614228e+00 -3.777614228e+00 2.54 -3.936568147e+00 -3.936568147e+00 2.56 -4.080088727e+00 -4.080088727e+00 2.58 -4.209300459e+00 -4.209300459e+00 2.60 -4.325372929e+00 -4.325372929e+00 2.62 -4.429327778e+00 -4.429327778e+00 2.64 -4.522117905e+00 -4.522117905e+00 2.66 -4.604508226e+00 -4.604508226e+00 2.68 -4.677318720e+00 -4.677318720e+00 2.70 -4.741283908e+00 -4.741283908e+00 2.72 -4.796995492e+00 -4.796995492e+00 2.74 -4.844893322e+00 -4.844893322e+00 2.76 -4.885192697e+00 -4.885192697e+00 2.78 -4.918058311e+00 -4.918058311e+00 2.80 -4.943670061e+00 -4.943670061e+00 2.82 -4.962217575e+00 -4.962217575e+00 2.84 -4.973877021e+00 -4.973877021e+00 2.86 -4.978758588e+00 -4.978758588e+00 2.88 -4.977002091e+00 -4.977002091e+00 2.90 -4.968795317e+00 -4.968795317e+00 2.92 -4.954374341e+00 -4.954374341e+00 2.94 -4.934025130e+00 -4.934025130e+00 2.96 -4.908084741e+00 -4.908084741e+00 2.98 -4.876940401e+00 -4.876940401e+00 3.00 -4.841025012e+00 -4.841025012e+00 3.02 -4.800808143e+00 -4.800808143e+00 3.04 -4.757430192e+00 -4.757430192e+00 3.06 -4.712152294e+00 -4.712152294e+00 3.08 -4.664983935e+00 -4.664983935e+00 3.10 -4.615952351e+00 -4.615952351e+00 3.12 -4.565098158e+00 -4.565098158e+00 3.14 -4.512467849e+00 -4.512467849e+00 3.16 -4.458095982e+00 -4.458095982e+00 3.18 -4.402006804e+00 -4.402006804e+00 3.20 -4.344212868e+00 -4.344212868e+00 3.22 -4.284736287e+00 -4.284736287e+00 3.24 -4.223608872e+00 -4.223608872e+00 3.26 -4.160859521e+00 -4.160859521e+00 3.28 -4.096523120e+00 -4.096523120e+00 3.30 -4.030649377e+00 -4.030649377e+00 3.32 -3.963309673e+00 -3.963309673e+00 3.34 -3.894601157e+00 -3.894601157e+00 3.36 -3.824648055e+00 -3.824648055e+00 3.38 -3.753600781e+00 -3.753600781e+00 3.40 -3.681632668e+00 -3.681632668e+00 3.42 -3.608941233e+00 -3.608941233e+00 3.44 -3.535737676e+00 -3.535737676e+00 3.46 -3.462247253e+00 -3.462247253e+00 3.48 -3.388702425e+00 -3.388702425e+00 3.50 -3.315336290e+00 -3.315336290e+00 3.52 -3.242375347e+00 -3.242375347e+00 3.54 -3.170032222e+00 -3.170032222e+00 3.56 -3.098499098e+00 -3.098499098e+00 3.58 -3.027942490e+00 -3.027942490e+00 3.60 -2.958499794e+00 -2.958499794e+00 3.62 -2.890277756e+00 -2.890277756e+00 3.64 -2.823352775e+00 -2.823352775e+00 3.66 -2.757772775e+00 -2.757772775e+00 3.68 -2.693560277e+00 -2.693560277e+00 3.70 -2.630716292e+00 -2.630716292e+00 3.72 -2.569224697e+00 -2.569224697e+00 3.74 -2.509056779e+00 -2.509056779e+00 3.76 -2.450175700e+00 -2.450175700e+00 3.78 -2.392540632e+00 -2.392540632e+00 3.80 -2.336110329e+00 -2.336110329e+00 3.82 -2.280845886e+00 -2.280845886e+00 3.84 -2.226712443e+00 -2.226712443e+00 3.86 -2.173679690e+00 -2.173679690e+00 3.88 -2.121721171e+00 -2.121721171e+00 3.90 -2.070812579e+00 -2.070812579e+00 3.92 -2.020927796e+00 -2.020927796e+00 3.94 -1.972043636e+00 -1.972043636e+00 3.96 -1.924126832e+00 -1.924126832e+00 3.98 -1.877140957e+00 -1.877140957e+00 4.00 -1.831044357e+00 -1.831044357e+00 4.02 -1.785791093e+00 -1.785791093e+00 4.04 -1.741332545e+00 -1.741332545e+00 4.06 -1.697619350e+00 -1.697619350e+00 4.08 -1.654603446e+00 -1.654603446e+00 4.10 -1.612235953e+00 -1.612235953e+00 4.12 -1.570486051e+00 -1.570486051e+00 4.14 -1.529315708e+00 -1.529315708e+00 4.16 -1.488700124e+00 -1.488700124e+00 4.18 -1.448624018e+00 -1.448624018e+00 4.20 -1.409082730e+00 -1.409082730e+00 4.22 -1.370082981e+00 -1.370082981e+00 4.24 -1.331643138e+00 -1.331643138e+00 4.26 -1.293792810e+00 -1.293792810e+00 4.28 -1.256571637e+00 -1.256571637e+00 4.30 -1.220027210e+00 -1.220027210e+00 4.32 -1.184212163e+00 -1.184212163e+00 4.34 -1.149180644e+00 -1.149180644e+00 4.36 -1.114984448e+00 -1.114984448e+00 4.38 -1.081669219e+00 -1.081669219e+00 4.40 -1.049271106e+00 -1.049271106e+00 4.42 -1.017814198e+00 -1.017814198e+00 4.44 -9.873089648e-01 -9.873089648e-01 4.46 -9.577517446e-01 -9.577517446e-01 4.48 -9.291252044e-01 -9.291252044e-01 4.50 -9.013995842e-01 -9.013995842e-01 4.52 -8.745344736e-01 -8.745344736e-01 4.54 -8.484808718e-01 -8.484808718e-01 4.56 -8.231833085e-01 -8.231833085e-01 4.58 -7.985818641e-01 -7.985818641e-01 4.60 -7.746139906e-01 -7.746139906e-01 4.62 -7.512160918e-01 -7.512160918e-01 4.64 -7.283248709e-01 -7.283248709e-01 4.66 -7.058784846e-01 -7.058784846e-01 4.68 -6.838175613e-01 -6.838175613e-01 4.70 -6.620861449e-01 -6.620861449e-01 4.72 -6.406326233e-01 -6.406326233e-01 4.74 -6.194106872e-01 -6.194106872e-01 4.76 -5.983803440e-01 -5.983803440e-01 4.78 -5.775089917e-01 -5.775089917e-01 4.80 -5.567694776e-01 -5.567694776e-01 4.82 -5.361538980e-01 -5.361538980e-01 4.84 -5.156546591e-01 -5.156546591e-01 4.86 -4.952791846e-01 -4.952791846e-01 4.88 -4.750466886e-01 -4.750466886e-01 4.90 -4.549881588e-01 -4.549881588e-01 4.92 -4.351457682e-01 -4.351457682e-01 4.94 -4.155716446e-01 -4.155716446e-01 4.96 -3.963259784e-01 -3.963259784e-01 4.98 -3.774745273e-01 -3.774745273e-01 5.00 -3.590856491e-01 -3.590856491e-01 5.02 -3.412270650e-01 -3.412270650e-01 5.04 -3.239625998e-01 -3.239625998e-01 5.06 -3.073491643e-01 -3.073491643e-01 5.08 -2.914342189e-01 -2.914342189e-01 5.10 -2.762539061e-01 -2.762539061e-01 5.12 -2.618319600e-01 -2.618319600e-01 5.14 -2.481794144e-01 -2.481794144e-01 5.16 -2.352950515e-01 -2.352950515e-01 5.18 -2.231664682e-01 -2.231664682e-01 5.20 -2.117716018e-01 -2.117716018e-01 5.22 -2.010805416e-01 -2.010805416e-01 5.24 -1.910574627e-01 -1.910574627e-01 5.26 -1.816625422e-01 -1.816625422e-01 5.28 -1.728537522e-01 -1.728537522e-01 5.30 -1.645884509e-01 -1.645884509e-01 5.32 -1.568247338e-01 -1.568247338e-01 5.34 -1.495225213e-01 -1.495225213e-01 5.36 -1.426443779e-01 -1.426443779e-01 5.38 -1.361558835e-01 -1.361558835e-01 5.40 -1.300263909e-01 -1.300263909e-01 5.42 -1.242290075e-01 -1.242290075e-01 5.44 -1.187403227e-01 -1.187403227e-01 5.46 -1.135401897e-01 -1.135401897e-01 5.48 -1.086113608e-01 -1.086113608e-01 5.50 -1.039390268e-01 -1.039390268e-01 5.52 -9.951030164e-02 -9.951030164e-02 5.54 -9.531369533e-02 -9.531369533e-02 5.56 -9.133862867e-02 -9.133862867e-02 5.58 -8.757500994e-02 -8.757500994e-02 5.60 -8.401290134e-02 -8.401290134e-02 5.62 -8.064226699e-02 -8.064226699e-02 5.64 -7.745269346e-02 -7.745269346e-02 5.66 -7.443379826e-02 -7.443379826e-02 5.68 -7.157501142e-02 -7.157501142e-02 5.70 -6.886558419e-02 -6.886558419e-02 5.72 -6.629471850e-02 -6.629471850e-02 5.74 -6.385170308e-02 -6.385170308e-02 5.76 -6.152604149e-02 -6.152604149e-02 5.78 -5.930756225e-02 -5.930756225e-02 5.80 -5.718650601e-02 -5.718650601e-02 5.82 -5.515358813e-02 -5.515358813e-02 5.84 -5.320003818e-02 -5.320003818e-02 5.86 -5.131761963e-02 -5.131761963e-02 5.88 -4.949863398e-02 -4.949863398e-02 5.90 -4.773591394e-02 -4.773591394e-02 5.92 -4.602281024e-02 -4.602281024e-02 5.94 -4.435317621e-02 -4.435317621e-02 5.96 -4.272135354e-02 -4.272135354e-02 5.98 -4.112216243e-02 -4.112216243e-02 6.00 -3.955089955e-02 -3.955089955e-02