# 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 = Au2CuW # 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 3.274363080e+02 3.274363080e+02 1.30 3.031974886e+02 3.031974886e+02 1.32 2.807690248e+02 2.807690248e+02 1.34 2.600035899e+02 2.600035899e+02 1.36 2.407679287e+02 2.407679287e+02 1.38 2.229420253e+02 2.229420253e+02 1.40 2.064180631e+02 2.064180631e+02 1.42 1.910980698e+02 1.910980698e+02 1.44 1.768912929e+02 1.768912929e+02 1.46 1.637125910e+02 1.637125910e+02 1.48 1.514820901e+02 1.514820901e+02 1.50 1.401255991e+02 1.401255991e+02 1.52 1.295750110e+02 1.295750110e+02 1.54 1.197681769e+02 1.197681769e+02 1.56 1.106483366e+02 1.106483366e+02 1.58 1.021634775e+02 1.021634775e+02 1.60 9.426582468e+01 9.426582468e+01 1.62 8.691140329e+01 8.691140329e+01 1.64 8.005954142e+01 8.005954142e+01 1.66 7.367236700e+01 7.367236700e+01 1.68 6.771452391e+01 6.771452391e+01 1.70 6.215326269e+01 6.215326269e+01 1.72 5.695882902e+01 5.695882902e+01 1.74 5.210490851e+01 5.210490851e+01 1.76 4.756893815e+01 4.756893815e+01 1.78 4.333229827e+01 4.333229827e+01 1.80 3.938035493e+01 3.938035493e+01 1.82 3.572100175e+01 3.572100175e+01 1.84 3.234419219e+01 3.234419219e+01 1.86 2.923219513e+01 2.923219513e+01 1.88 2.636734178e+01 2.636734178e+01 1.90 2.373216074e+01 2.373216074e+01 1.92 2.130963612e+01 2.130963612e+01 1.94 1.908342704e+01 1.908342704e+01 1.96 1.703800313e+01 1.703800313e+01 1.98 1.515871922e+01 1.515871922e+01 2.00 1.343187505e+01 1.343187505e+01 2.02 1.184477389e+01 1.184477389e+01 2.04 1.038575132e+01 1.038575132e+01 2.06 9.044142171e+00 9.044142171e+00 2.08 7.810190530e+00 7.810190530e+00 2.10 6.674942144e+00 6.674942144e+00 2.12 5.630160733e+00 5.630160733e+00 2.14 4.668285345e+00 4.668285345e+00 2.16 3.782418901e+00 3.782418901e+00 2.18 2.966325330e+00 2.966325330e+00 2.20 2.214416168e+00 2.214416168e+00 2.22 1.521718851e+00 1.521718851e+00 2.24 8.838284066e-01 8.838284066e-01 2.26 2.968471797e-01 2.968471797e-01 2.28 -2.426841698e-01 -2.426841698e-01 2.30 -7.378619872e-01 -7.378619872e-01 2.32 -1.191496659e+00 -1.191496659e+00 2.34 -1.606168648e+00 -1.606168648e+00 2.36 -1.984229383e+00 -1.984229383e+00 2.38 -2.328071259e+00 -2.328071259e+00 2.40 -2.639990306e+00 -2.639990306e+00 2.42 -2.922158420e+00 -2.922158420e+00 2.44 -3.176627236e+00 -3.176627236e+00 2.46 -3.405331786e+00 -3.405331786e+00 2.48 -3.610097519e+00 -3.610097519e+00 2.50 -3.792610700e+00 -3.792610700e+00 2.52 -3.954238953e+00 -3.954238953e+00 2.54 -4.096246530e+00 -4.096246530e+00 2.56 -4.219902801e+00 -4.219902801e+00 2.58 -4.326475698e+00 -4.326475698e+00 2.60 -4.417219948e+00 -4.417219948e+00 2.62 -4.493358940e+00 -4.493358940e+00 2.64 -4.556062104e+00 -4.556062104e+00 2.66 -4.606422548e+00 -4.606422548e+00 2.68 -4.645440473e+00 -4.645440473e+00 2.70 -4.674015741e+00 -4.674015741e+00 2.72 -4.692949414e+00 -4.692949414e+00 2.74 -4.702951391e+00 -4.702951391e+00 2.76 -4.704650925e+00 -4.704650925e+00 2.78 -4.698774162e+00 -4.698774162e+00 2.80 -4.685933798e+00 -4.685933798e+00 2.82 -4.666339561e+00 -4.666339561e+00 2.84 -4.639973895e+00 -4.639973895e+00 2.86 -4.606855629e+00 -4.606855629e+00 2.88 -4.567079924e+00 -4.567079924e+00 2.90 -4.520820107e+00 -4.520820107e+00 2.92 -4.468366987e+00 -4.468366987e+00 2.94 -4.410119875e+00 -4.410119875e+00 2.96 -4.346537524e+00 -4.346537524e+00 2.98 -4.278118567e+00 -4.278118567e+00 3.00 -4.205393964e+00 -4.205393964e+00 3.02 -4.128922664e+00 -4.128922664e+00 3.04 -4.049272777e+00 -4.049272777e+00 3.06 -3.967000102e+00 -3.967000102e+00 3.08 -3.882626431e+00 -3.882626431e+00 3.10 -3.796620004e+00 -3.796620004e+00 3.12 -3.709380481e+00 -3.709380481e+00 3.14 -3.621230222e+00 -3.621230222e+00 3.16 -3.532412656e+00 -3.532412656e+00 3.18 -3.443097358e+00 -3.443097358e+00 3.20 -3.353390510e+00 -3.353390510e+00 3.22 -3.263348947e+00 -3.263348947e+00 3.24 -3.172996031e+00 -3.172996031e+00 3.26 -3.082337872e+00 -3.082337872e+00 3.28 -2.991378885e+00 -2.991378885e+00 3.30 -2.900135984e+00 -2.900135984e+00 3.32 -2.808650914e+00 -2.808650914e+00 3.34 -2.717000294e+00 -2.717000294e+00 3.36 -2.625302923e+00 -2.625302923e+00 3.38 -2.533723870e+00 -2.533723870e+00 3.40 -2.442474936e+00 -2.442474936e+00 3.42 -2.351811247e+00 -2.351811247e+00 3.44 -2.262023965e+00 -2.262023965e+00 3.46 -2.173429534e+00 -2.173429534e+00 3.48 -2.086356244e+00 -2.086356244e+00 3.50 -2.001129249e+00 -2.001129249e+00 3.52 -1.918055434e+00 -1.918055434e+00 3.54 -1.837409529e+00 -1.837409529e+00 3.56 -1.759422748e+00 -1.759422748e+00 3.58 -1.684274849e+00 -1.684274849e+00 3.60 -1.612090082e+00 -1.612090082e+00 3.62 -1.542937024e+00 -1.542937024e+00 3.64 -1.476831863e+00 -1.476831863e+00 3.66 -1.413744438e+00 -1.413744438e+00 3.68 -1.353606152e+00 -1.353606152e+00 3.70 -1.296318876e+00 -1.296318876e+00 3.72 -1.241764009e+00 -1.241764009e+00 3.74 -1.189811021e+00 -1.189811021e+00 3.76 -1.140324900e+00 -1.140324900e+00 3.78 -1.093172141e+00 -1.093172141e+00 3.80 -1.048225030e+00 -1.048225030e+00 3.82 -1.005364156e+00 -1.005364156e+00 3.84 -9.644792432e-01 -9.644792432e-01 3.86 -9.254685833e-01 -9.254685833e-01 3.88 -8.882374445e-01 -8.882374445e-01 3.90 -8.526959634e-01 -8.526959634e-01 3.92 -8.187569933e-01 -8.187569933e-01 3.94 -7.863343228e-01 -7.863343228e-01 3.96 -7.553415150e-01 -7.553415150e-01 3.98 -7.256914729e-01 -7.256914729e-01 4.00 -6.972966628e-01 -6.972966628e-01 4.02 -6.700698449e-01 -6.700698449e-01 4.04 -6.439251131e-01 -6.439251131e-01 4.06 -6.187790628e-01 -6.187790628e-01 4.08 -5.945519472e-01 -5.945519472e-01 4.10 -5.711687361e-01 -5.711687361e-01 4.12 -5.485600552e-01 -5.485600552e-01 4.14 -5.266629694e-01 -5.266629694e-01 4.16 -5.054216646e-01 -5.054216646e-01 4.18 -4.847880018e-01 -4.847880018e-01 4.20 -4.647219525e-01 -4.647219525e-01 4.22 -4.451918887e-01 -4.451918887e-01 4.24 -4.261746891e-01 -4.261746891e-01 4.26 -4.076556128e-01 -4.076556128e-01 4.28 -3.896278954e-01 -3.896278954e-01 4.30 -3.720920406e-01 -3.720920406e-01 4.32 -3.550548037e-01 -3.550548037e-01 4.34 -3.385278970e-01 -3.385278970e-01 4.36 -3.225264779e-01 -3.225264779e-01 4.38 -3.070674997e-01 -3.070674997e-01 4.40 -2.921680207e-01 -2.921680207e-01 4.42 -2.778435612e-01 -2.778435612e-01 4.44 -2.641065969e-01 -2.641065969e-01 4.46 -2.509652621e-01 -2.509652621e-01 4.48 -2.384223287e-01 -2.384223287e-01 4.50 -2.264745102e-01 -2.264745102e-01 4.52 -2.151121272e-01 -2.151121272e-01 4.54 -2.043191440e-01 -2.043191440e-01 4.56 -1.940735605e-01 -1.940735605e-01 4.58 -1.843481147e-01 -1.843481147e-01 4.60 -1.751112236e-01 -1.751112236e-01 4.62 -1.663280868e-01 -1.663280868e-01 4.64 -1.579618590e-01 -1.579618590e-01 4.66 -1.499745418e-01 -1.499745418e-01 4.68 -1.423284530e-01 -1.423284530e-01 4.70 -1.349877196e-01 -1.349877196e-01 4.72 -1.279183703e-01 -1.279183703e-01 4.74 -1.210891585e-01 -1.210891585e-01 4.76 -1.144722469e-01 -1.144722469e-01 4.78 -1.080437560e-01 -1.080437560e-01 4.80 -1.017841891e-01 -1.017841891e-01 4.82 -9.567874477e-02 -9.567874477e-02 4.84 -8.971749935e-02 -8.971749935e-02 4.86 -8.389546500e-02 -8.389546500e-02 4.88 -7.821248994e-02 -7.821248994e-02 4.90 -7.267298576e-02 -7.267298576e-02 4.92 -6.728546532e-02 -6.728546532e-02 4.94 -6.206188625e-02 -6.206188625e-02 4.96 -5.701681257e-02 -5.701681257e-02 4.98 -5.216642744e-02 -5.216642744e-02 5.00 -4.752745062e-02 -4.752745062e-02 5.02 -4.311603141e-02 -4.311603141e-02 5.04 -3.894669677e-02 -3.894669677e-02 5.06 -3.503143310e-02 -3.503143310e-02 5.08 -3.137896830e-02 -3.137896830e-02 5.10 -2.799429991e-02 -2.799429991e-02 5.12 -2.487848640e-02 -2.487848640e-02 5.14 -2.202869495e-02 -2.202869495e-02 5.16 -1.943847365e-02 -1.943847365e-02 5.18 -1.709819654e-02 -1.709819654e-02 5.20 -1.499559856e-02 -1.499559856e-02 5.22 -1.311611649e-02 -1.311611649e-02 5.24 -1.144428897e-02 -1.144428897e-02 5.26 -9.963930707e-03 -9.963930707e-03 5.28 -8.658498399e-03 -8.658498399e-03 5.30 -7.511564528e-03 -7.511564528e-03 5.32 -6.507191472e-03 -6.507191472e-03 5.34 -5.630209501e-03 -5.630209501e-03 5.36 -4.866407951e-03 -4.866407951e-03 5.38 -4.202651980e-03 -4.202651980e-03 5.40 -3.626938444e-03 -3.626938444e-03 5.42 -3.128404182e-03 -3.128404182e-03 5.44 -2.697298828e-03 -2.697298828e-03 5.46 -2.324932636e-03 -2.324932636e-03 5.48 -2.003607988e-03 -2.003607988e-03 5.50 -1.726541487e-03 -1.726541487e-03 5.52 -1.487781913e-03 -1.487781913e-03 5.54 -1.282127935e-03 -1.282127935e-03 5.56 -1.105048323e-03 -1.105048323e-03 5.58 -9.526064537e-04 -9.526064537e-04 5.60 -8.213902313e-04 -8.213902313e-04 5.62 -7.084479798e-04 -7.084479798e-04 5.64 -6.112304871e-04 -6.112304871e-04 5.66 -5.275391090e-04 -5.275391090e-04 5.68 -4.554796637e-04 -4.554796637e-04 5.70 -3.934217334e-04 -3.934217334e-04 5.72 -3.399629320e-04 -3.399629320e-04 5.74 -2.938976737e-04 -2.938976737e-04 5.76 -2.541899761e-04 -2.541899761e-04 5.78 -2.199498511e-04 -2.199498511e-04 5.80 -1.904128644e-04 -1.904128644e-04 5.82 -1.649224758e-04 -1.649224758e-04 5.84 -1.429148092e-04 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