# 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 = Au2MgNi # 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 3.158014734e+02 3.158014734e+02 1.30 2.922313125e+02 2.922313125e+02 1.32 2.704304125e+02 2.704304125e+02 1.34 2.502575492e+02 2.502575492e+02 1.36 2.315840296e+02 2.315840296e+02 1.38 2.142919177e+02 2.142919177e+02 1.40 1.982729122e+02 1.982729122e+02 1.42 1.834275017e+02 1.834275017e+02 1.44 1.696642097e+02 1.696642097e+02 1.46 1.568989079e+02 1.568989079e+02 1.48 1.450543686e+02 1.450543686e+02 1.50 1.340601642e+02 1.340601642e+02 1.52 1.238524526e+02 1.238524526e+02 1.54 1.143731091e+02 1.143731091e+02 1.56 1.055684775e+02 1.055684775e+02 1.58 9.738840678e+01 9.738840678e+01 1.60 8.978588581e+01 8.978588581e+01 1.62 8.271707228e+01 8.271707228e+01 1.64 7.614137167e+01 7.614137167e+01 1.66 7.002136547e+01 7.002136547e+01 1.68 6.433623576e+01 6.433623576e+01 1.70 5.907002680e+01 5.907002680e+01 1.72 5.419117451e+01 5.419117451e+01 1.74 4.967092064e+01 4.967092064e+01 1.76 4.548342707e+01 4.548342707e+01 1.78 4.160524579e+01 4.160524579e+01 1.80 3.801487015e+01 3.801487015e+01 1.82 3.469229604e+01 3.469229604e+01 1.84 3.161872039e+01 3.161872039e+01 1.86 2.877643714e+01 2.877643714e+01 1.88 2.614885055e+01 2.614885055e+01 1.90 2.372048684e+01 2.372048684e+01 1.92 2.147693986e+01 2.147693986e+01 1.94 1.940475272e+01 1.940475272e+01 1.96 1.749129228e+01 1.749129228e+01 1.98 1.572466950e+01 1.572466950e+01 2.00 1.409373947e+01 1.409373947e+01 2.02 1.258815859e+01 1.258815859e+01 2.04 1.119844070e+01 1.119844070e+01 2.06 9.915959840e+00 9.915959840e+00 2.08 8.732888447e+00 8.732888447e+00 2.10 7.642097398e+00 7.642097398e+00 2.12 6.637048607e+00 6.637048607e+00 2.14 5.711702898e+00 5.711702898e+00 2.16 4.860447233e+00 4.860447233e+00 2.18 4.078039095e+00 4.078039095e+00 2.20 3.359566966e+00 3.359566966e+00 2.22 2.700423892e+00 2.700423892e+00 2.24 2.096295731e+00 2.096295731e+00 2.26 1.543160361e+00 1.543160361e+00 2.28 1.037289592e+00 1.037289592e+00 2.30 5.752461605e-01 5.752461605e-01 2.32 1.538660115e-01 1.538660115e-01 2.34 -2.297703316e-01 -2.297703316e-01 2.36 -5.783705064e-01 -5.783705064e-01 2.38 -8.944579510e-01 -8.944579510e-01 2.40 -1.180390100e+00 -1.180390100e+00 2.42 -1.438369481e+00 -1.438369481e+00 2.44 -1.670451793e+00 -1.670451793e+00 2.46 -1.878556736e+00 -1.878556736e+00 2.48 -2.064481628e+00 -2.064481628e+00 2.50 -2.229917018e+00 -2.229917018e+00 2.52 -2.376462124e+00 -2.376462124e+00 2.54 -2.505637166e+00 -2.505637166e+00 2.56 -2.618889910e+00 -2.618889910e+00 2.58 -2.717601126e+00 -2.717601126e+00 2.60 -2.803203379e+00 -2.803203379e+00 2.62 -2.876921372e+00 -2.876921372e+00 2.64 -2.939709170e+00 -2.939709170e+00 2.66 -2.992462251e+00 -2.992462251e+00 2.68 -3.035959809e+00 -3.035959809e+00 2.70 -3.070783971e+00 -3.070783971e+00 2.72 -3.097467763e+00 -3.097467763e+00 2.74 -3.116530698e+00 -3.116530698e+00 2.76 -3.128472825e+00 -3.128472825e+00 2.78 -3.133771268e+00 -3.133771268e+00 2.80 -3.132890421e+00 -3.132890421e+00 2.82 -3.126276338e+00 -3.126276338e+00 2.84 -3.114352354e+00 -3.114352354e+00 2.86 -3.097516787e+00 -3.097516787e+00 2.88 -3.076143881e+00 -3.076143881e+00 2.90 -3.050587157e+00 -3.050587157e+00 2.92 -3.021184198e+00 -3.021184198e+00 2.94 -2.988262024e+00 -2.988262024e+00 2.96 -2.952142419e+00 -2.952142419e+00 2.98 -2.913146617e+00 -2.913146617e+00 3.00 -2.871598649e+00 -2.871598649e+00 3.02 -2.827826578e+00 -2.827826578e+00 3.04 -2.782160689e+00 -2.782160689e+00 3.06 -2.734929377e+00 -2.734929377e+00 3.08 -2.686450543e+00 -2.686450543e+00 3.10 -2.637023502e+00 -2.637023502e+00 3.12 -2.586920178e+00 -2.586920178e+00 3.14 -2.536379751e+00 -2.536379751e+00 3.16 -2.485604686e+00 -2.485604686e+00 3.18 -2.434762450e+00 -2.434762450e+00 3.20 -2.383988949e+00 -2.383988949e+00 3.22 -2.333393895e+00 -2.333393895e+00 3.24 -2.283073422e+00 -2.283073422e+00 3.26 -2.233114147e+00 -2.233114147e+00 3.28 -2.183562683e+00 -2.183562683e+00 3.30 -2.134460135e+00 -2.134460135e+00 3.32 -2.085845254e+00 -2.085845254e+00 3.34 -2.037754577e+00 -2.037754577e+00 3.36 -1.990222020e+00 -1.990222020e+00 3.38 -1.943278309e+00 -1.943278309e+00 3.40 -1.896949906e+00 -1.896949906e+00 3.42 -1.851243578e+00 -1.851243578e+00 3.44 -1.806146825e+00 -1.806146825e+00 3.46 -1.761649647e+00 -1.761649647e+00 3.48 -1.717745002e+00 -1.717745002e+00 3.50 -1.674428232e+00 -1.674428232e+00 3.52 -1.631696591e+00 -1.631696591e+00 3.54 -1.589548843e+00 -1.589548843e+00 3.56 -1.547984912e+00 -1.547984912e+00 3.58 -1.507005579e+00 -1.507005579e+00 3.60 -1.466612208e+00 -1.466612208e+00 3.62 -1.426806482e+00 -1.426806482e+00 3.64 -1.387590174e+00 -1.387590174e+00 3.66 -1.348964959e+00 -1.348964959e+00 3.68 -1.310932325e+00 -1.310932325e+00 3.70 -1.273493608e+00 -1.273493608e+00 3.72 -1.236650215e+00 -1.236650215e+00 3.74 -1.200404041e+00 -1.200404041e+00 3.76 -1.164758069e+00 -1.164758069e+00 3.78 -1.129717088e+00 -1.129717088e+00 3.80 -1.095288407e+00 -1.095288407e+00 3.82 -1.061482401e+00 -1.061482401e+00 3.84 -1.028312722e+00 -1.028312722e+00 3.86 -9.957959976e-01 -9.957959976e-01 3.88 -9.639509532e-01 -9.639509532e-01 3.90 -9.327969753e-01 -9.327969753e-01 3.92 -9.023521868e-01 -9.023521868e-01 3.94 -8.726318903e-01 -8.726318903e-01 3.96 -8.436461419e-01 -8.436461419e-01 3.98 -8.153988731e-01 -8.153988731e-01 4.00 -7.878870692e-01 -7.878870692e-01 4.02 -7.611007546e-01 -7.611007546e-01 4.04 -7.350235954e-01 -7.350235954e-01 4.06 -7.096339755e-01 -7.096339755e-01 4.08 -6.849063672e-01 -6.849063672e-01 4.10 -6.608125490e-01 -6.608125490e-01 4.12 -6.373242969e-01 -6.373242969e-01 4.14 -6.144129087e-01 -6.144129087e-01 4.16 -5.920518025e-01 -5.920518025e-01 4.18 -5.702172497e-01 -5.702172497e-01 4.20 -5.488892629e-01 -5.488892629e-01 4.22 -5.280522587e-01 -5.280522587e-01 4.24 -5.076954698e-01 -5.076954698e-01 4.26 -4.878130832e-01 -4.878130832e-01 4.28 -4.684040920e-01 -4.684040920e-01 4.30 -4.494718706e-01 -4.494718706e-01 4.32 -4.310235068e-01 -4.310235068e-01 4.34 -4.130689537e-01 -4.130689537e-01 4.36 -3.956200800e-01 -3.956200800e-01 4.38 -3.786896980e-01 -3.786896980e-01 4.40 -3.622906328e-01 -3.622906328e-01 4.42 -3.464348683e-01 -3.464348683e-01 4.44 -3.311327728e-01 -3.311327728e-01 4.46 -3.163923860e-01 -3.163923860e-01 4.48 -3.022187491e-01 -3.022187491e-01 4.50 -2.886132715e-01 -2.886132715e-01 4.52 -2.755731598e-01 -2.755731598e-01 4.54 -2.630909602e-01 -2.630909602e-01 4.56 -2.511542817e-01 -2.511542817e-01 4.58 -2.397457612e-01 -2.397457612e-01 4.60 -2.288433088e-01 -2.288433088e-01 4.62 -2.184206352e-01 -2.184206352e-01 4.64 -2.084480264e-01 -2.084480264e-01 4.66 -1.988933027e-01 -1.988933027e-01 4.68 -1.897228864e-01 -1.897228864e-01 4.70 -1.809029002e-01 -1.809029002e-01 4.72 -1.724002330e-01 -1.724002330e-01 4.74 -1.641835252e-01 -1.641835252e-01 4.76 -1.562240429e-01 -1.562240429e-01 4.78 -1.484964255e-01 -1.484964255e-01 4.80 -1.409791034e-01 -1.409791034e-01 4.82 -1.336555751e-01 -1.336555751e-01 4.84 -1.265134602e-01 -1.265134602e-01 4.86 -1.195455447e-01 -1.195455447e-01 4.88 -1.127495275e-01 -1.127495275e-01 4.90 -1.061278068e-01 -1.061278068e-01 4.92 -9.968705974e-02 -9.968705974e-02 4.94 -9.343761429e-02 -9.343761429e-02 4.96 -8.739262653e-02 -8.739262653e-02 4.98 -8.156709757e-02 -8.156709757e-02 5.00 -7.597678419e-02 -7.597678419e-02 5.02 -7.063707485e-02 -7.063707485e-02 5.04 -6.556191200e-02 -6.556191200e-02 5.06 -6.076284137e-02 -6.076284137e-02 5.08 -5.624825751e-02 -5.624825751e-02 5.10 -5.202289887e-02 -5.202289887e-02 5.12 -4.808759570e-02 -4.808759570e-02 5.14 -4.443928680e-02 -4.443928680e-02 5.16 -4.107127828e-02 -4.107127828e-02 5.18 -3.797367298e-02 -3.797367298e-02 5.20 -3.513386157e-02 -3.513386157e-02 5.22 -3.253646565e-02 -3.253646565e-02 5.24 -3.016586555e-02 -3.016586555e-02 5.26 -2.800578728e-02 -2.800578728e-02 5.28 -2.603938900e-02 -2.603938900e-02 5.30 -2.424987375e-02 -2.424987375e-02 5.32 -2.262107290e-02 -2.262107290e-02 5.34 -2.113757618e-02 -2.113757618e-02 5.36 -1.978493116e-02 -1.978493116e-02 5.38 -1.854982193e-02 -1.854982193e-02 5.40 -1.742015170e-02 -1.742015170e-02 5.42 -1.638502481e-02 -1.638502481e-02 5.44 -1.543471045e-02 -1.543471045e-02 5.46 -1.456057349e-02 -1.456057349e-02 5.48 -1.375498321e-02 -1.375498321e-02 5.50 -1.301120917e-02 -1.301120917e-02 5.52 -1.232331250e-02 -1.232331250e-02 5.54 -1.168603897e-02 -1.168603897e-02 5.56 -1.109471909e-02 -1.109471909e-02 5.58 -1.054517892e-02 -1.054517892e-02 5.60 -1.003366346e-02 -1.003366346e-02 5.62 -9.556773348e-03 -9.556773348e-03 5.64 -9.111414354e-03 -9.111414354e-03 5.66 -8.694757990e-03 -8.694757990e-03 5.68 -8.304211453e-03 -8.304211453e-03 5.70 -7.937394642e-03 -7.937394642e-03 5.72 -7.592122263e-03 -7.592122263e-03 5.74 -7.266389268e-03 -7.266389268e-03 5.76 -6.958358321e-03 -6.958358321e-03 5.78 -6.666348349e-03 -6.666348349e-03 5.80 -6.388823656e-03 -6.388823656e-03 5.82 -6.124383312e-03 -6.124383312e-03 5.84 -5.871750802e-03 -5.871750802e-03 5.86 -5.629764006e-03 -5.629764006e-03 5.88 -5.397365703e-03 -5.397365703e-03 5.90 -5.173594764e-03 -5.173594764e-03 5.92 -4.957578243e-03 -4.957578243e-03 5.94 -4.748524537e-03 -4.748524537e-03 5.96 -4.545717724e-03 -4.545717724e-03 5.98 -4.348513187e-03 -4.348513187e-03 6.00 -4.156334567e-03 -4.156334567e-03