# 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 = Al2TaW # 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 2.218392499e+02 2.218392499e+02 1.30 2.058545105e+02 2.058545105e+02 1.32 1.910517075e+02 1.910517075e+02 1.34 1.773352680e+02 1.773352680e+02 1.36 1.646176305e+02 1.646176305e+02 1.38 1.528196594e+02 1.528196594e+02 1.40 1.418699346e+02 1.418699346e+02 1.42 1.317029652e+02 1.317029652e+02 1.44 1.222571961e+02 1.222571961e+02 1.46 1.134738427e+02 1.134738427e+02 1.48 1.052972543e+02 1.052972543e+02 1.50 9.767647713e+01 9.767647713e+01 1.52 9.056668065e+01 9.056668065e+01 1.54 8.392933826e+01 8.392933826e+01 1.56 7.773124560e+01 7.773124560e+01 1.58 7.194315847e+01 7.194315847e+01 1.60 6.653861342e+01 6.653861342e+01 1.62 6.149304383e+01 6.149304383e+01 1.64 5.678314014e+01 5.678314014e+01 1.66 5.238648093e+01 5.238648093e+01 1.68 4.828151922e+01 4.828151922e+01 1.70 4.444787793e+01 4.444787793e+01 1.72 4.086670092e+01 4.086670092e+01 1.74 3.752079365e+01 3.752079365e+01 1.76 3.439451136e+01 3.439451136e+01 1.78 3.147354390e+01 3.147354390e+01 1.80 2.874652885e+01 2.874652885e+01 1.82 2.620495616e+01 2.620495616e+01 1.84 2.383718283e+01 2.383718283e+01 1.86 2.163225539e+01 2.163225539e+01 1.88 1.957991444e+01 1.957991444e+01 1.90 1.767070035e+01 1.767070035e+01 1.92 1.589843976e+01 1.589843976e+01 1.94 1.425497779e+01 1.425497779e+01 1.96 1.273152389e+01 1.273152389e+01 1.98 1.131964390e+01 1.131964390e+01 2.00 1.001127640e+01 1.001127640e+01 2.02 8.798770753e+00 8.798770753e+00 2.04 7.674922298e+00 7.674922298e+00 2.06 6.632980111e+00 6.632980111e+00 2.08 5.666625539e+00 5.666625539e+00 2.10 4.769944143e+00 4.769944143e+00 2.12 3.937416692e+00 3.937416692e+00 2.14 3.163938200e+00 3.163938200e+00 2.16 2.444855054e+00 2.444855054e+00 2.18 1.775999896e+00 1.775999896e+00 2.20 1.153704176e+00 1.153704176e+00 2.22 5.747759764e-01 5.747759764e-01 2.24 3.644248311e-02 3.644248311e-02 2.26 -4.637323238e-01 -4.637323238e-01 2.28 -9.279376038e-01 -9.279376038e-01 2.30 -1.358195836e+00 -1.358195836e+00 2.32 -1.756421063e+00 -1.756421063e+00 2.34 -2.124449857e+00 -2.124449857e+00 2.36 -2.464047359e+00 -2.464047359e+00 2.38 -2.776895802e+00 -2.776895802e+00 2.40 -3.064576169e+00 -3.064576169e+00 2.42 -3.328553279e+00 -3.328553279e+00 2.44 -3.570164416e+00 -3.570164416e+00 2.46 -3.790574513e+00 -3.790574513e+00 2.48 -3.990961297e+00 -3.990961297e+00 2.50 -4.172397744e+00 -4.172397744e+00 2.52 -4.335955161e+00 -4.335955161e+00 2.54 -4.482858380e+00 -4.482858380e+00 2.56 -4.614335597e+00 -4.614335597e+00 2.58 -4.731634561e+00 -4.731634561e+00 2.60 -4.836016848e+00 -4.836016848e+00 2.62 -4.928692779e+00 -4.928692779e+00 2.64 -5.010595727e+00 -5.010595727e+00 2.66 -5.082319420e+00 -5.082319420e+00 2.68 -5.144264667e+00 -5.144264667e+00 2.70 -5.196776860e+00 -5.196776860e+00 2.72 -5.240133231e+00 -5.240133231e+00 2.74 -5.274546823e+00 -5.274546823e+00 2.76 -5.300183801e+00 -5.300183801e+00 2.78 -5.317185475e+00 -5.317185475e+00 2.80 -5.325689113e+00 -5.325689113e+00 2.82 -5.325844885e+00 -5.325844885e+00 2.84 -5.317829018e+00 -5.317829018e+00 2.86 -5.301854249e+00 -5.301854249e+00 2.88 -5.278178746e+00 -5.278178746e+00 2.90 -5.247114004e+00 -5.247114004e+00 2.92 -5.209031411e+00 -5.209031411e+00 2.94 -5.164366467e+00 -5.164366467e+00 2.96 -5.113619287e+00 -5.113619287e+00 2.98 -5.057349964e+00 -5.057349964e+00 3.00 -4.996167731e+00 -4.996167731e+00 3.02 -4.931294679e+00 -4.931294679e+00 3.04 -4.864328240e+00 -4.864328240e+00 3.06 -4.795399323e+00 -4.795399323e+00 3.08 -4.724617230e+00 -4.724617230e+00 3.10 -4.652092775e+00 -4.652092775e+00 3.12 -4.577918725e+00 -4.577918725e+00 3.14 -4.502158384e+00 -4.502158384e+00 3.16 -4.424842430e+00 -4.424842430e+00 3.18 -4.345978222e+00 -4.345978222e+00 3.20 -4.265583780e+00 -4.265583780e+00 3.22 -4.183679971e+00 -4.183679971e+00 3.24 -4.100291426e+00 -4.100291426e+00 3.26 -4.015460608e+00 -4.015460608e+00 3.28 -3.929258123e+00 -3.929258123e+00 3.30 -3.841788542e+00 -3.841788542e+00 3.32 -3.753191721e+00 -3.753191721e+00 3.34 -3.663640268e+00 -3.663640268e+00 3.36 -3.573334265e+00 -3.573334265e+00 3.38 -3.482494436e+00 -3.482494436e+00 3.40 -3.391354856e+00 -3.391354856e+00 3.42 -3.300155953e+00 -3.300155953e+00 3.44 -3.209138086e+00 -3.209138086e+00 3.46 -3.118535766e+00 -3.118535766e+00 3.48 -3.028572275e+00 -3.028572275e+00 3.50 -2.939454572e+00 -2.939454572e+00 3.52 -2.851368502e+00 -2.851368502e+00 3.54 -2.764474574e+00 -2.764474574e+00 3.56 -2.678904769e+00 -2.678904769e+00 3.58 -2.594760861e+00 -2.594760861e+00 3.60 -2.512114678e+00 -2.512114678e+00 3.62 -2.431010498e+00 -2.431010498e+00 3.64 -2.351469482e+00 -2.351469482e+00 3.66 -2.273495807e+00 -2.273495807e+00 3.68 -2.197083902e+00 -2.197083902e+00 3.70 -2.122226072e+00 -2.122226072e+00 3.72 -2.048919726e+00 -2.048919726e+00 3.74 -1.977173495e+00 -1.977173495e+00 3.76 -1.907011580e+00 -1.907011580e+00 3.78 -1.838475933e+00 -1.838475933e+00 3.80 -1.771626009e+00 -1.771626009e+00 3.82 -1.706536166e+00 -1.706536166e+00 3.84 -1.643290982e+00 -1.643290982e+00 3.86 -1.581979023e+00 -1.581979023e+00 3.88 -1.522685768e+00 -1.522685768e+00 3.90 -1.465486427e+00 -1.465486427e+00 3.92 -1.410439423e+00 -1.410439423e+00 3.94 -1.357581173e+00 -1.357581173e+00 3.96 -1.306922511e+00 -1.306922511e+00 3.98 -1.258447092e+00 -1.258447092e+00 4.00 -1.212111656e+00 -1.212111656e+00 4.02 -1.167847988e+00 -1.167847988e+00 4.04 -1.125566261e+00 -1.125566261e+00 4.06 -1.085159365e+00 -1.085159365e+00 4.08 -1.046507851e+00 -1.046507851e+00 4.10 -1.009485110e+00 -1.009485110e+00 4.12 -9.739626668e-01 -9.739626668e-01 4.14 -9.398149655e-01 -9.398149655e-01 4.16 -9.069239930e-01 -9.069239930e-01 4.18 -8.751831829e-01 -8.751831829e-01 4.20 -8.445006159e-01 -8.445006159e-01 4.22 -8.148013337e-01 -8.148013337e-01 4.24 -7.860286140e-01 -7.860286140e-01 4.26 -7.581440727e-01 -7.581440727e-01 4.28 -7.311265155e-01 -7.311265155e-01 4.30 -7.049695568e-01 -7.049695568e-01 4.32 -6.796781525e-01 -6.796781525e-01 4.34 -6.552643345e-01 -6.552643345e-01 4.36 -6.317425561e-01 -6.317425561e-01 4.38 -6.091251198e-01 -6.091251198e-01 4.40 -5.874181512e-01 -5.874181512e-01 4.42 -5.666184941e-01 -5.666184941e-01 4.44 -5.467117494e-01 -5.467117494e-01 4.46 -5.276715105e-01 -5.276715105e-01 4.48 -5.094596852e-01 -5.094596852e-01 4.50 -4.920276784e-01 -4.920276784e-01 4.52 -4.753181719e-01 -4.753181719e-01 4.54 -4.592671698e-01 -4.592671698e-01 4.56 -4.438061038e-01 -4.438061038e-01 4.58 -4.288638159e-01 -4.288638159e-01 4.60 -4.143683513e-01 -4.143683513e-01 4.62 -4.002484531e-01 -4.002484531e-01 4.64 -3.864344251e-01 -3.864344251e-01 4.66 -3.728597925e-01 -3.728597925e-01 4.68 -3.594625454e-01 -3.594625454e-01 4.70 -3.461851057e-01 -3.461851057e-01 4.72 -3.329752582e-01 -3.329752582e-01 4.74 -3.197870842e-01 -3.197870842e-01 4.76 -3.065819381e-01 -3.065819381e-01 4.78 -2.933294805e-01 -2.933294805e-01 4.80 -2.800087422e-01 -2.800087422e-01 4.82 -2.666092311e-01 -2.666092311e-01 4.84 -2.531318237e-01 -2.531318237e-01 4.86 -2.395895654e-01 -2.395895654e-01 4.88 -2.260080654e-01 -2.260080654e-01 4.90 -2.124254253e-01 -2.124254253e-01 4.92 -1.988915728e-01 -1.988915728e-01 4.94 -1.854669226e-01 -1.854669226e-01 4.96 -1.722203467e-01 -1.722203467e-01 4.98 -1.592265153e-01 -1.592265153e-01 5.00 -1.465627494e-01 -1.465627494e-01 5.02 -1.343055972e-01 -1.343055972e-01 5.04 -1.225273972e-01 -1.225273972e-01 5.06 -1.112931034e-01 -1.112931034e-01 5.08 -1.006576249e-01 -1.006576249e-01 5.10 -9.066387204e-02 -9.066387204e-02 5.12 -8.134161876e-02 -8.134161876e-02 5.14 -7.270719961e-02 -7.270719961e-02 5.16 -6.476397359e-02 -6.476397359e-02 5.18 -5.750342268e-02 -5.750342268e-02 5.20 -5.090671375e-02 -5.090671375e-02 5.22 -4.494653888e-02 -4.494653888e-02 5.24 -3.958905683e-02 -3.958905683e-02 5.26 -3.479580691e-02 -3.479580691e-02 5.28 -3.052546995e-02 -3.052546995e-02 5.30 -2.673541187e-02 -2.673541187e-02 5.32 -2.338295915e-02 -2.338295915e-02 5.34 -2.042641729e-02 -2.042641729e-02 5.36 -1.782583330e-02 -1.782583330e-02 5.38 -1.554317985e-02 -1.554317985e-02 5.40 -1.354348358e-02 -1.354348358e-02 5.42 -1.179478347e-02 -1.179478347e-02 5.44 -1.026784756e-02 -1.026784756e-02 5.46 -8.936190018e-03 -8.936190018e-03 5.48 -7.775999289e-03 -7.775999289e-03 5.50 -6.766006527e-03 -6.766006527e-03 5.52 -5.887316817e-03 -5.887316817e-03 5.54 -5.123220305e-03 -5.123220305e-03 5.56 -4.458995673e-03 -4.458995673e-03 5.58 -3.881714813e-03 -3.881714813e-03 5.60 -3.380054643e-03 -3.380054643e-03 5.62 -2.944119871e-03 -2.944119871e-03 5.64 -2.565278898e-03 -2.565278898e-03 5.66 -2.236013871e-03 -2.236013871e-03 5.68 -1.949785096e-03 -1.949785096e-03 5.70 -1.700909465e-03 -1.700909465e-03 5.72 -1.484452171e-03 -1.484452171e-03 5.74 -1.296130815e-03 -1.296130815e-03 5.76 -1.132230862e-03 -1.132230862e-03 5.78 -9.895313833e-04 -9.895313833e-04 5.80 -8.652400533e-04 -8.652400533e-04 5.82 -7.569363716e-04 -7.569363716e-04 5.84 -6.625221959e-04 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