# 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 = Ag2NiPb # 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 2.598828400e+02 2.598828400e+02 1.30 2.412178776e+02 2.412178776e+02 1.32 2.239263293e+02 2.239263293e+02 1.34 2.078984118e+02 2.078984118e+02 1.36 1.930334707e+02 1.930334707e+02 1.38 1.792396293e+02 1.792396293e+02 1.40 1.664333081e+02 1.664333081e+02 1.42 1.545385781e+02 1.545385781e+02 1.44 1.434863116e+02 1.434863116e+02 1.46 1.332132112e+02 1.332132112e+02 1.48 1.236610257e+02 1.236610257e+02 1.50 1.147760687e+02 1.147760687e+02 1.52 1.065088999e+02 1.065088999e+02 1.54 9.881396671e+01 9.881396671e+01 1.56 9.164915580e+01 9.164915580e+01 1.58 8.497537287e+01 8.497537287e+01 1.60 7.875631085e+01 7.875631085e+01 1.62 7.295846006e+01 7.295846006e+01 1.64 6.755125565e+01 6.755125565e+01 1.66 6.251348569e+01 6.251348569e+01 1.68 5.782473438e+01 5.782473438e+01 1.70 5.346098180e+01 5.346098180e+01 1.72 4.939999645e+01 4.939999645e+01 1.74 4.562103135e+01 4.562103135e+01 1.76 4.210455362e+01 4.210455362e+01 1.78 3.883209160e+01 3.883209160e+01 1.80 3.578624838e+01 3.578624838e+01 1.82 3.295085015e+01 3.295085015e+01 1.84 3.031107721e+01 3.031107721e+01 1.86 2.785344948e+01 2.785344948e+01 1.88 2.556566932e+01 2.556566932e+01 1.90 2.343639234e+01 2.343639234e+01 1.92 2.145502830e+01 2.145502830e+01 1.94 1.961162056e+01 1.961162056e+01 1.96 1.789680140e+01 1.789680140e+01 1.98 1.630179775e+01 1.630179775e+01 2.00 1.481843782e+01 1.481843782e+01 2.02 1.343913348e+01 1.343913348e+01 2.04 1.215683735e+01 1.215683735e+01 2.06 1.096499483e+01 1.096499483e+01 2.08 9.857504775e+00 9.857504775e+00 2.10 8.828694029e+00 8.828694029e+00 2.12 7.873296010e+00 7.873296010e+00 2.14 6.986426922e+00 6.986426922e+00 2.16 6.163559633e+00 6.163559633e+00 2.18 5.400496177e+00 5.400496177e+00 2.20 4.693339043e+00 4.693339043e+00 2.22 4.038464212e+00 4.038464212e+00 2.24 3.432491813e+00 3.432491813e+00 2.26 2.872254723e+00 2.872254723e+00 2.28 2.354763110e+00 2.354763110e+00 2.30 1.877178218e+00 1.877178218e+00 2.32 1.436785417e+00 1.436785417e+00 2.34 1.030990753e+00 1.030990753e+00 2.36 6.573246854e-01 6.573246854e-01 2.38 3.134607817e-01 3.134607817e-01 2.40 -2.764440639e-03 -2.764440639e-03 2.42 -2.933395600e-01 -2.933395600e-01 2.44 -5.600796659e-01 -5.600796659e-01 2.46 -8.046396571e-01 -8.046396571e-01 2.48 -1.028534366e+00 -1.028534366e+00 2.50 -1.233158353e+00 -1.233158353e+00 2.52 -1.419803385e+00 -1.419803385e+00 2.54 -1.589675786e+00 -1.589675786e+00 2.56 -1.743908360e+00 -1.743908360e+00 2.58 -1.883570526e+00 -1.883570526e+00 2.60 -2.009676536e+00 -2.009676536e+00 2.62 -2.123190302e+00 -2.123190302e+00 2.64 -2.225008378e+00 -2.225008378e+00 2.66 -2.315861254e+00 -2.315861254e+00 2.68 -2.396417497e+00 -2.396417497e+00 2.70 -2.467330587e+00 -2.467330587e+00 2.72 -2.529235444e+00 -2.529235444e+00 2.74 -2.582745911e+00 -2.582745911e+00 2.76 -2.628451814e+00 -2.628451814e+00 2.78 -2.666914408e+00 -2.666914408e+00 2.80 -2.698661922e+00 -2.698661922e+00 2.82 -2.724275952e+00 -2.724275952e+00 2.84 -2.744293107e+00 -2.744293107e+00 2.86 -2.758946725e+00 -2.758946725e+00 2.88 -2.768461679e+00 -2.768461679e+00 2.90 -2.773062813e+00 -2.773062813e+00 2.92 -2.772976331e+00 -2.772976331e+00 2.94 -2.768432027e+00 -2.768432027e+00 2.96 -2.759665832e+00 -2.759665832e+00 2.98 -2.746922595e+00 -2.746922595e+00 3.00 -2.730466108e+00 -2.730466108e+00 3.02 -2.710580911e+00 -2.710580911e+00 3.04 -2.687560034e+00 -2.687560034e+00 3.06 -2.661733981e+00 -2.661733981e+00 3.08 -2.633398708e+00 -2.633398708e+00 3.10 -2.602819237e+00 -2.602819237e+00 3.12 -2.570257583e+00 -2.570257583e+00 3.14 -2.535967983e+00 -2.535967983e+00 3.16 -2.500187240e+00 -2.500187240e+00 3.18 -2.463134075e+00 -2.463134075e+00 3.20 -2.425006699e+00 -2.425006699e+00 3.22 -2.385981280e+00 -2.385981280e+00 3.24 -2.346206104e+00 -2.346206104e+00 3.26 -2.305808430e+00 -2.305808430e+00 3.28 -2.264900544e+00 -2.264900544e+00 3.30 -2.223581362e+00 -2.223581362e+00 3.32 -2.181938432e+00 -2.181938432e+00 3.34 -2.140050053e+00 -2.140050053e+00 3.36 -2.097987259e+00 -2.097987259e+00 3.38 -2.055815455e+00 -2.055815455e+00 3.40 -2.013595395e+00 -2.013595395e+00 3.42 -1.971384578e+00 -1.971384578e+00 3.44 -1.929236348e+00 -1.929236348e+00 3.46 -1.887200675e+00 -1.887200675e+00 3.48 -1.845323754e+00 -1.845323754e+00 3.50 -1.803647817e+00 -1.803647817e+00 3.52 -1.762211019e+00 -1.762211019e+00 3.54 -1.721047468e+00 -1.721047468e+00 3.56 -1.680187414e+00 -1.680187414e+00 3.58 -1.639657588e+00 -1.639657588e+00 3.60 -1.599481676e+00 -1.599481676e+00 3.62 -1.559680878e+00 -1.559680878e+00 3.64 -1.520274529e+00 -1.520274529e+00 3.66 -1.481280725e+00 -1.481280725e+00 3.68 -1.442716944e+00 -1.442716944e+00 3.70 -1.404600619e+00 -1.404600619e+00 3.72 -1.366949646e+00 -1.366949646e+00 3.74 -1.329782829e+00 -1.329782829e+00 3.76 -1.293120266e+00 -1.293120266e+00 3.78 -1.256983660e+00 -1.256983660e+00 3.80 -1.221396538e+00 -1.221396538e+00 3.82 -1.186384327e+00 -1.186384327e+00 3.84 -1.151974172e+00 -1.151974172e+00 3.86 -1.118194401e+00 -1.118194401e+00 3.88 -1.085073560e+00 -1.085073560e+00 3.90 -1.052639024e+00 -1.052639024e+00 3.92 -1.020914951e+00 -1.020914951e+00 3.94 -9.899220219e-01 -9.899220219e-01 3.96 -9.596734971e-01 -9.596734971e-01 3.98 -9.301757690e-01 -9.301757690e-01 4.00 -9.014274066e-01 -9.014274066e-01 4.02 -8.734192974e-01 -8.734192974e-01 4.04 -8.461353658e-01 -8.461353658e-01 4.06 -8.195537191e-01 -8.195537191e-01 4.08 -7.936480430e-01 -7.936480430e-01 4.10 -7.683880374e-01 -7.683880374e-01 4.12 -7.437452442e-01 -7.437452442e-01 4.14 -7.196875034e-01 -7.196875034e-01 4.16 -6.961849891e-01 -6.961849891e-01 4.18 -6.732099800e-01 -6.732099800e-01 4.20 -6.507377599e-01 -6.507377599e-01 4.22 -6.287473655e-01 -6.287473655e-01 4.24 -6.072221699e-01 -6.072221699e-01 4.26 -5.861502842e-01 -5.861502842e-01 4.28 -5.655247532e-01 -5.655247532e-01 4.30 -5.453435258e-01 -5.453435258e-01 4.32 -5.256091958e-01 -5.256091958e-01 4.34 -5.063285222e-01 -5.063285222e-01 4.36 -4.875117608e-01 -4.875117608e-01 4.38 -4.691718478e-01 -4.691718478e-01 4.40 -4.513234818e-01 -4.513234818e-01 4.42 -4.339821434e-01 -4.339821434e-01 4.44 -4.171630815e-01 -4.171630815e-01 4.46 -4.008802880e-01 -4.008802880e-01 4.48 -3.851454848e-01 -3.851454848e-01 4.50 -3.699671558e-01 -3.699671558e-01 4.52 -3.553496788e-01 -3.553496788e-01 4.54 -3.412926220e-01 -3.412926220e-01 4.56 -3.277902786e-01 -3.277902786e-01 4.58 -3.148314954e-01 -3.148314954e-01 4.60 -3.023998239e-01 -3.023998239e-01 4.62 -2.904739854e-01 -2.904739854e-01 4.64 -2.790286030e-01 -2.790286030e-01 4.66 -2.680351298e-01 -2.680351298e-01 4.68 -2.574628874e-01 -2.574628874e-01 4.70 -2.472801347e-01 -2.472801347e-01 4.72 -2.374551004e-01 -2.374551004e-01 4.74 -2.279569309e-01 -2.279569309e-01 4.76 -2.187565267e-01 -2.187565267e-01 4.78 -2.098272572e-01 -2.098272572e-01 4.80 -2.011447851e-01 -2.011447851e-01 4.82 -1.926907196e-01 -1.926907196e-01 4.84 -1.844479924e-01 -1.844479924e-01 4.86 -1.764045552e-01 -1.764045552e-01 4.88 -1.685525719e-01 -1.685525719e-01 4.90 -1.608883780e-01 -1.608883780e-01 4.92 -1.534122868e-01 -1.534122868e-01 4.94 -1.461282290e-01 -1.461282290e-01 4.96 -1.390432277e-01 -1.390432277e-01 4.98 -1.321667190e-01 -1.321667190e-01 5.00 -1.255097490e-01 -1.255097490e-01 5.02 -1.190840878e-01 -1.190840878e-01 5.04 -1.129013265e-01 -1.129013265e-01 5.06 -1.069720202e-01 -1.069720202e-01 5.08 -1.013049415e-01 -1.013049415e-01 5.10 -9.590649693e-02 -9.590649693e-02 5.12 -9.078033880e-02 -9.078033880e-02 5.14 -8.592719355e-02 -8.592719355e-02 5.16 -8.134489298e-02 -8.134489298e-02 5.18 -7.702857945e-02 -7.702857945e-02 5.20 -7.297080254e-02 -7.297080254e-02 5.22 -6.916204503e-02 -6.916204503e-02 5.24 -6.559207324e-02 -6.559207324e-02 5.26 -6.224947371e-02 -6.224947371e-02 5.28 -5.912206481e-02 -5.912206481e-02 5.30 -5.619728223e-02 -5.619728223e-02 5.32 -5.346248372e-02 -5.346248372e-02 5.34 -5.090517584e-02 -5.090517584e-02 5.36 -4.851309474e-02 -4.851309474e-02 5.38 -4.627438404e-02 -4.627438404e-02 5.40 -4.417783459e-02 -4.417783459e-02 5.42 -4.221270824e-02 -4.221270824e-02 5.44 -4.036875910e-02 -4.036875910e-02 5.46 -3.863624759e-02 -3.863624759e-02 5.48 -3.700594749e-02 -3.700594749e-02 5.50 -3.546914881e-02 -3.546914881e-02 5.52 -3.401765788e-02 -3.401765788e-02 5.54 -3.264379476e-02 -3.264379476e-02 5.56 -3.134038766e-02 -3.134038766e-02 5.58 -3.010076423e-02 -3.010076423e-02 5.60 -2.891873958e-02 -2.891873958e-02 5.62 -2.778860130e-02 -2.778860130e-02 5.64 -2.670509172e-02 -2.670509172e-02 5.66 -2.566338884e-02 -2.566338884e-02 5.68 -2.465908649e-02 -2.465908649e-02 5.70 -2.368817461e-02 -2.368817461e-02 5.72 -2.274702080e-02 -2.274702080e-02 5.74 -2.183235384e-02 -2.183235384e-02 5.76 -2.094124977e-02 -2.094124977e-02 5.78 -2.007112110e-02 -2.007112110e-02 5.80 -1.921970925e-02 -1.921970925e-02 5.82 -1.838507999e-02 -1.838507999e-02 5.84 -1.756562182e-02 -1.756562182e-02 5.86 -1.676004621e-02 -1.676004621e-02 5.88 -1.596738916e-02 -1.596738916e-02 5.90 -1.518701251e-02 -1.518701251e-02 5.92 -1.441860378e-02 -1.441860378e-02 5.94 -1.366215542e-02 -1.366215542e-02 5.96 -1.291789393e-02 -1.291789393e-02 5.98 -1.218645145e-02 -1.218645145e-02 6.00 -1.146875667e-02 -1.146875667e-02