# 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 = CoCuMg2 # 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 2.385574011e+02 2.385574011e+02 1.30 2.202300868e+02 2.202300868e+02 1.32 2.033274794e+02 2.033274794e+02 1.34 1.877306064e+02 1.877306064e+02 1.36 1.733321696e+02 1.733321696e+02 1.38 1.600356764e+02 1.600356764e+02 1.40 1.477538213e+02 1.477538213e+02 1.42 1.364068267e+02 1.364068267e+02 1.44 1.259210224e+02 1.259210224e+02 1.46 1.162279670e+02 1.162279670e+02 1.48 1.072642998e+02 1.072642998e+02 1.50 9.897195593e+01 9.897195593e+01 1.52 9.129816700e+01 9.129816700e+01 1.54 8.419504059e+01 8.419504059e+01 1.56 7.761936354e+01 7.761936354e+01 1.58 7.153157287e+01 7.153157287e+01 1.60 6.589473968e+01 6.589473968e+01 1.62 6.067536537e+01 6.067536537e+01 1.64 5.584268446e+01 5.584268446e+01 1.66 5.136832001e+01 5.136832001e+01 1.68 4.722600661e+01 4.722600661e+01 1.70 4.339140888e+01 4.339140888e+01 1.72 3.984192751e+01 3.984192751e+01 1.74 3.655647164e+01 3.655647164e+01 1.76 3.351529203e+01 3.351529203e+01 1.78 3.069996178e+01 3.069996178e+01 1.80 2.809345032e+01 2.809345032e+01 1.82 2.568017121e+01 2.568017121e+01 1.84 2.344591194e+01 2.344591194e+01 1.86 2.137768185e+01 2.137768185e+01 1.88 1.946352665e+01 1.946352665e+01 1.90 1.769236250e+01 1.769236250e+01 1.92 1.605384827e+01 1.605384827e+01 1.94 1.453831219e+01 1.453831219e+01 1.96 1.313673254e+01 1.313673254e+01 1.98 1.184075502e+01 1.184075502e+01 2.00 1.064270677e+01 1.064270677e+01 2.02 9.535576603e+00 9.535576603e+00 2.04 8.512954902e+00 8.512954902e+00 2.06 7.568945325e+00 7.568945325e+00 2.08 6.698072973e+00 6.698072973e+00 2.10 5.895214459e+00 5.895214459e+00 2.12 5.155557035e+00 5.155557035e+00 2.14 4.474581124e+00 4.474581124e+00 2.16 3.848055338e+00 3.848055338e+00 2.18 3.272029177e+00 3.272029177e+00 2.20 2.742820398e+00 2.742820398e+00 2.22 2.256992973e+00 2.256992973e+00 2.24 1.811334262e+00 1.811334262e+00 2.26 1.402834513e+00 1.402834513e+00 2.28 1.028668495e+00 1.028668495e+00 2.30 6.861860951e-01 6.861860951e-01 2.32 3.729008387e-01 3.729008387e-01 2.34 8.645575176e-02 8.645575176e-02 2.36 -1.752510764e-01 -1.752510764e-01 2.38 -4.141104122e-01 -4.141104122e-01 2.40 -6.318365745e-01 -6.318365745e-01 2.42 -8.299808850e-01 -8.299808850e-01 2.44 -1.009955115e+00 -1.009955115e+00 2.46 -1.173059492e+00 -1.173059492e+00 2.48 -1.320676659e+00 -1.320676659e+00 2.50 -1.453909607e+00 -1.453909607e+00 2.52 -1.573490469e+00 -1.573490469e+00 2.54 -1.680167158e+00 -1.680167158e+00 2.56 -1.774698403e+00 -1.774698403e+00 2.58 -1.857845730e+00 -1.857845730e+00 2.60 -1.930363834e+00 -1.930363834e+00 2.62 -1.992989962e+00 -1.992989962e+00 2.64 -2.046455145e+00 -2.046455145e+00 2.66 -2.091471333e+00 -2.091471333e+00 2.68 -2.128710684e+00 -2.128710684e+00 2.70 -2.158809744e+00 -2.158809744e+00 2.72 -2.182374795e+00 -2.182374795e+00 2.74 -2.199982996e+00 -2.199982996e+00 2.76 -2.212178379e+00 -2.212178379e+00 2.78 -2.219464583e+00 -2.219464583e+00 2.80 -2.222299372e+00 -2.222299372e+00 2.82 -2.221090178e+00 -2.221090178e+00 2.84 -2.216197217e+00 -2.216197217e+00 2.86 -2.207939175e+00 -2.207939175e+00 2.88 -2.196601523e+00 -2.196601523e+00 2.90 -2.182445279e+00 -2.182445279e+00 2.92 -2.165714952e+00 -2.165714952e+00 2.94 -2.146645028e+00 -2.146645028e+00 2.96 -2.125464816e+00 -2.125464816e+00 2.98 -2.102401572e+00 -2.102401572e+00 3.00 -2.077681732e+00 -2.077681732e+00 3.02 -2.051530017e+00 -2.051530017e+00 3.04 -2.024187966e+00 -2.024187966e+00 3.06 -1.995878179e+00 -1.995878179e+00 3.08 -1.966755696e+00 -1.966755696e+00 3.10 -1.936962763e+00 -1.936962763e+00 3.12 -1.906624061e+00 -1.906624061e+00 3.14 -1.875846683e+00 -1.875846683e+00 3.16 -1.844718432e+00 -1.844718432e+00 3.18 -1.813312751e+00 -1.813312751e+00 3.20 -1.781685084e+00 -1.781685084e+00 3.22 -1.749836949e+00 -1.749836949e+00 3.24 -1.717756081e+00 -1.717756081e+00 3.26 -1.685443929e+00 -1.685443929e+00 3.28 -1.652914781e+00 -1.652914781e+00 3.30 -1.620194137e+00 -1.620194137e+00 3.32 -1.587316328e+00 -1.587316328e+00 3.34 -1.554321679e+00 -1.554321679e+00 3.36 -1.521253641e+00 -1.521253641e+00 3.38 -1.488156349e+00 -1.488156349e+00 3.40 -1.455072802e+00 -1.455072802e+00 3.42 -1.422044269e+00 -1.422044269e+00 3.44 -1.389109370e+00 -1.389109370e+00 3.46 -1.356304475e+00 -1.356304475e+00 3.48 -1.323663680e+00 -1.323663680e+00 3.50 -1.291218830e+00 -1.291218830e+00 3.52 -1.258999426e+00 -1.258999426e+00 3.54 -1.227032447e+00 -1.227032447e+00 3.56 -1.195342169e+00 -1.195342169e+00 3.58 -1.163950037e+00 -1.163950037e+00 3.60 -1.132874691e+00 -1.132874691e+00 3.62 -1.102132168e+00 -1.102132168e+00 3.64 -1.071736323e+00 -1.071736323e+00 3.66 -1.041699488e+00 -1.041699488e+00 3.68 -1.012033319e+00 -1.012033319e+00 3.70 -9.827498240e-01 -9.827498240e-01 3.72 -9.538624636e-01 -9.538624636e-01 3.74 -9.253872194e-01 -9.253872194e-01 3.76 -8.973434847e-01 -8.973434847e-01 3.78 -8.697546064e-01 -8.697546064e-01 3.80 -8.426479171e-01 -8.426479171e-01 3.82 -8.160541378e-01 -8.160541378e-01 3.84 -7.900061090e-01 -7.900061090e-01 3.86 -7.645369218e-01 -7.645369218e-01 3.88 -7.396776451e-01 -7.396776451e-01 3.90 -7.154549438e-01 -7.154549438e-01 3.92 -6.918887297e-01 -6.918887297e-01 3.94 -6.689913904e-01 -6.689913904e-01 3.96 -6.467656047e-01 -6.467656047e-01 3.98 -6.252052310e-01 -6.252052310e-01 4.00 -6.042957397e-01 -6.042957397e-01 4.02 -5.840154440e-01 -5.840154440e-01 4.04 -5.643370507e-01 -5.643370507e-01 4.06 -5.452293163e-01 -5.452293163e-01 4.08 -5.266586454e-01 -5.266586454e-01 4.10 -5.085899998e-01 -5.085899998e-01 4.12 -4.909903838e-01 -4.909903838e-01 4.14 -4.738263581e-01 -4.738263581e-01 4.16 -4.570674379e-01 -4.570674379e-01 4.18 -4.406861843e-01 -4.406861843e-01 4.20 -4.246588519e-01 -4.246588519e-01 4.22 -4.089659287e-01 -4.089659287e-01 4.24 -3.935925555e-01 -3.935925555e-01 4.26 -3.785288021e-01 -3.785288021e-01 4.28 -3.637697787e-01 -3.637697787e-01 4.30 -3.493155670e-01 -3.493155670e-01 4.32 -3.351709732e-01 -3.351709732e-01 4.34 -3.213451144e-01 -3.213451144e-01 4.36 -3.078508560e-01 -3.078508560e-01 4.38 -2.947041143e-01 -2.947041143e-01 4.40 -2.819230254e-01 -2.819230254e-01 4.42 -2.695269789e-01 -2.695269789e-01 4.44 -2.575355211e-01 -2.575355211e-01 4.46 -2.459671583e-01 -2.459671583e-01 4.48 -2.348381221e-01 -2.348381221e-01 4.50 -2.241611932e-01 -2.241611932e-01 4.52 -2.139446965e-01 -2.139446965e-01 4.54 -2.041917712e-01 -2.041917712e-01 4.56 -1.948999931e-01 -1.948999931e-01 4.58 -1.860613763e-01 -1.860613763e-01 4.60 -1.776627333e-01 -1.776627333e-01 4.62 -1.696863324e-01 -1.696863324e-01 4.64 -1.621107624e-01 -1.621107624e-01 4.66 -1.549119130e-01 -1.549119130e-01 4.68 -1.480639813e-01 -1.480639813e-01 4.70 -1.415404400e-01 -1.415404400e-01 4.72 -1.353149198e-01 -1.353149198e-01 4.74 -1.293619833e-01 -1.293619833e-01 4.76 -1.236577825e-01 -1.236577825e-01 4.78 -1.181806008e-01 -1.181806008e-01 4.80 -1.129108859e-01 -1.129108859e-01 4.82 -1.078332450e-01 -1.078332450e-01 4.84 -1.029340365e-01 -1.029340365e-01 4.86 -9.820330463e-02 -9.820330463e-02 4.88 -9.363425678e-02 -9.363425678e-02 4.90 -8.922307839e-02 -8.922307839e-02 4.92 -8.496859265e-02 -8.496859265e-02 4.94 -8.087177299e-02 -8.087177299e-02 4.96 -7.693511741e-02 -7.693511741e-02 4.98 -7.316193665e-02 -7.316193665e-02 5.00 -6.955562940e-02 -6.955562940e-02 5.02 -6.611899011e-02 -6.611899011e-02 5.04 -6.285362322e-02 -6.285362322e-02 5.06 -5.975951582e-02 -5.975951582e-02 5.08 -5.683479776e-02 -5.683479776e-02 5.10 -5.407563582e-02 -5.407563582e-02 5.12 -5.147571627e-02 -5.147571627e-02 5.14 -4.902809865e-02 -4.902809865e-02 5.16 -4.672486275e-02 -4.672486275e-02 5.18 -4.455714099e-02 -4.455714099e-02 5.20 -4.251552718e-02 -4.251552718e-02 5.22 -4.059044779e-02 -4.059044779e-02 5.24 -3.877247749e-02 -3.877247749e-02 5.26 -3.705259124e-02 -3.705259124e-02 5.28 -3.542235298e-02 -3.542235298e-02 5.30 -3.387404608e-02 -3.387404608e-02 5.32 -3.240075299e-02 -3.240075299e-02 5.34 -3.099639203e-02 -3.099639203e-02 5.36 -2.965571857e-02 -2.965571857e-02 5.38 -2.837429645e-02 -2.837429645e-02 5.40 -2.714844455e-02 -2.714844455e-02 5.42 -2.597516264e-02 -2.597516264e-02 5.44 -2.485204011e-02 -2.485204011e-02 5.46 -2.377715192e-02 -2.377715192e-02 5.48 -2.274894683e-02 -2.274894683e-02 5.50 -2.176613350e-02 -2.176613350e-02 5.52 -2.082757120e-02 -2.082757120e-02 5.54 -1.993217120e-02 -1.993217120e-02 5.56 -1.907881439e-02 -1.907881439e-02 5.58 -1.826628930e-02 -1.826628930e-02 5.60 -1.749325205e-02 -1.749325205e-02 5.62 -1.675820817e-02 -1.675820817e-02 5.64 -1.605951382e-02 -1.605951382e-02 5.66 -1.539539248e-02 -1.539539248e-02 5.68 -1.476396260e-02 -1.476396260e-02 5.70 -1.416327138e-02 -1.416327138e-02 5.72 -1.359133043e-02 -1.359133043e-02 5.74 -1.304614955e-02 -1.304614955e-02 5.76 -1.252574344e-02 -1.252574344e-02 5.78 -1.202819516e-02 -1.202819516e-02 5.80 -1.155167704e-02 -1.155167704e-02 5.82 -1.109444706e-02 -1.109444706e-02 5.84 -1.065485761e-02 -1.065485761e-02 5.86 -1.023136017e-02 -1.023136017e-02 5.88 -9.822506865e-03 -9.822506865e-03 5.90 -9.426949975e-03 -9.426949975e-03 5.92 -9.043440260e-03 -9.043440260e-03 5.94 -8.670824946e-03 -8.670824946e-03 5.96 -8.308045997e-03 -8.308045997e-03 5.98 -7.954139211e-03 -7.954139211e-03 6.00 -7.608234497e-03 -7.608234497e-03