# 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 = AgTi2W # 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 3.324914699e+02 3.324914699e+02 1.30 3.076100390e+02 3.076100390e+02 1.32 2.846207160e+02 2.846207160e+02 1.34 2.633700018e+02 2.633700018e+02 1.36 2.437158580e+02 2.437158580e+02 1.38 2.255275119e+02 2.255275119e+02 1.40 2.086850040e+02 2.086850040e+02 1.42 1.930787220e+02 1.930787220e+02 1.44 1.786092283e+02 1.786092283e+02 1.46 1.651869974e+02 1.651869974e+02 1.48 1.527315749e+02 1.527315749e+02 1.50 1.411703514e+02 1.411703514e+02 1.52 1.304374101e+02 1.304374101e+02 1.54 1.204726599e+02 1.204726599e+02 1.56 1.112212519e+02 1.112212519e+02 1.58 1.026330871e+02 1.026330871e+02 1.60 9.466220437e+01 9.466220437e+01 1.62 8.726608389e+01 8.726608389e+01 1.64 8.040499905e+01 8.040499905e+01 1.66 7.404146257e+01 7.404146257e+01 1.68 6.813982398e+01 6.813982398e+01 1.70 6.266615192e+01 6.266615192e+01 1.72 5.758842058e+01 5.758842058e+01 1.74 5.287679295e+01 5.287679295e+01 1.76 4.850373050e+01 4.850373050e+01 1.78 4.444387002e+01 4.444387002e+01 1.80 4.067383131e+01 4.067383131e+01 1.82 3.717212806e+01 3.717212806e+01 1.84 3.391958310e+01 3.391958310e+01 1.86 3.089863554e+01 3.089863554e+01 1.88 2.809361857e+01 2.809361857e+01 1.90 2.549092975e+01 2.549092975e+01 1.92 2.307715381e+01 2.307715381e+01 1.94 2.083956534e+01 2.083956534e+01 1.96 1.876624210e+01 1.876624210e+01 1.98 1.684600909e+01 1.684600909e+01 2.00 1.506840145e+01 1.506840145e+01 2.02 1.342358829e+01 1.342358829e+01 2.04 1.190226284e+01 1.190226284e+01 2.06 1.049554875e+01 1.049554875e+01 2.08 9.194965127e+00 9.194965127e+00 2.10 7.992453148e+00 7.992453148e+00 2.12 6.880434920e+00 6.880434920e+00 2.14 5.851870847e+00 5.851870847e+00 2.16 4.900297427e+00 4.900297427e+00 2.18 4.019838329e+00 4.019838329e+00 2.20 3.205186104e+00 3.205186104e+00 2.22 2.451554559e+00 2.451554559e+00 2.24 1.754611528e+00 1.754611528e+00 2.26 1.110408399e+00 1.110408399e+00 2.28 5.153216363e-01 5.153216363e-01 2.30 -3.398608983e-02 -3.398608983e-02 2.32 -5.405897724e-01 -5.405897724e-01 2.34 -1.007316049e+00 -1.007316049e+00 2.36 -1.436758064e+00 -1.436758064e+00 2.38 -1.831296580e+00 -1.831296580e+00 2.40 -2.193130043e+00 -2.193130043e+00 2.42 -2.524309263e+00 -2.524309263e+00 2.44 -2.826768933e+00 -2.826768933e+00 2.46 -3.102331854e+00 -3.102331854e+00 2.48 -3.352696007e+00 -3.352696007e+00 2.50 -3.579609769e+00 -3.579609769e+00 2.52 -3.784745666e+00 -3.784745666e+00 2.54 -3.969678525e+00 -3.969678525e+00 2.56 -4.135880294e+00 -4.135880294e+00 2.58 -4.284717215e+00 -4.284717215e+00 2.60 -4.417450892e+00 -4.417450892e+00 2.62 -4.535242500e+00 -4.535242500e+00 2.64 -4.639101056e+00 -4.639101056e+00 2.66 -4.729784137e+00 -4.729784137e+00 2.68 -4.807984169e+00 -4.807984169e+00 2.70 -4.874366972e+00 -4.874366972e+00 2.72 -4.929571242e+00 -4.929571242e+00 2.74 -4.974209496e+00 -4.974209496e+00 2.76 -5.008922014e+00 -5.008922014e+00 2.78 -5.034319261e+00 -5.034319261e+00 2.80 -5.050839799e+00 -5.050839799e+00 2.82 -5.058921619e+00 -5.058921619e+00 2.84 -5.059004091e+00 -5.059004091e+00 2.86 -5.051526407e+00 -5.051526407e+00 2.88 -5.036927609e+00 -5.036927609e+00 2.90 -5.015647795e+00 -5.015647795e+00 2.92 -4.988117044e+00 -4.988117044e+00 2.94 -4.954623311e+00 -4.954623311e+00 2.96 -4.915401221e+00 -4.915401221e+00 2.98 -4.870743910e+00 -4.870743910e+00 3.00 -4.820998865e+00 -4.820998865e+00 3.02 -4.766562986e+00 -4.766562986e+00 3.04 -4.708010979e+00 -4.708010979e+00 3.06 -4.645639260e+00 -4.645639260e+00 3.08 -4.579644615e+00 -4.579644615e+00 3.10 -4.510262744e+00 -4.510262744e+00 3.12 -4.437739437e+00 -4.437739437e+00 3.14 -4.362309213e+00 -4.362309213e+00 3.16 -4.284188418e+00 -4.284188418e+00 3.18 -4.203574038e+00 -4.203574038e+00 3.20 -4.120630634e+00 -4.120630634e+00 3.22 -4.035496583e+00 -4.035496583e+00 3.24 -3.948293779e+00 -3.948293779e+00 3.26 -3.859137504e+00 -3.859137504e+00 3.28 -3.768145863e+00 -3.768145863e+00 3.30 -3.675448560e+00 -3.675448560e+00 3.32 -3.581194932e+00 -3.581194932e+00 3.34 -3.485561090e+00 -3.485561090e+00 3.36 -3.388755870e+00 -3.388755870e+00 3.38 -3.291025193e+00 -3.291025193e+00 3.40 -3.192654314e+00 -3.192654314e+00 3.42 -3.093967652e+00 -3.093967652e+00 3.44 -2.995325483e+00 -2.995325483e+00 3.46 -2.897117912e+00 -2.897117912e+00 3.48 -2.799755794e+00 -2.799755794e+00 3.50 -2.703659084e+00 -2.703659084e+00 3.52 -2.609243124e+00 -2.609243124e+00 3.54 -2.516903573e+00 -2.516903573e+00 3.56 -2.427000979e+00 -2.427000979e+00 3.58 -2.339846317e+00 -2.339846317e+00 3.60 -2.255688987e+00 -2.255688987e+00 3.62 -2.174708768e+00 -2.174708768e+00 3.64 -2.097012774e+00 -2.097012774e+00 3.66 -2.022637705e+00 -2.022637705e+00 3.68 -1.951556757e+00 -1.951556757e+00 3.70 -1.883689929e+00 -1.883689929e+00 3.72 -1.818916061e+00 -1.818916061e+00 3.74 -1.757085082e+00 -1.757085082e+00 3.76 -1.698029293e+00 -1.698029293e+00 3.78 -1.641572953e+00 -1.641572953e+00 3.80 -1.587539892e+00 -1.587539892e+00 3.82 -1.535759153e+00 -1.535759153e+00 3.84 -1.486068872e+00 -1.486068872e+00 3.86 -1.438318683e+00 -1.438318683e+00 3.88 -1.392370933e+00 -1.392370933e+00 3.90 -1.348101021e+00 -1.348101021e+00 3.92 -1.305397022e+00 -1.305397022e+00 3.94 -1.264159153e+00 -1.264159153e+00 3.96 -1.224298409e+00 -1.224298409e+00 3.98 -1.185735648e+00 -1.185735648e+00 4.00 -1.148400342e+00 -1.148400342e+00 4.02 -1.112229435e+00 -1.112229435e+00 4.04 -1.077166303e+00 -1.077166303e+00 4.06 -1.043159848e+00 -1.043159848e+00 4.08 -1.010163741e+00 -1.010163741e+00 4.10 -9.781356809e-01 -9.781356809e-01 4.12 -9.470375556e-01 -9.470375556e-01 4.14 -9.168341826e-01 -9.168341826e-01 4.16 -8.874937948e-01 -8.874937948e-01 4.18 -8.589877643e-01 -8.589877643e-01 4.20 -8.312905573e-01 -8.312905573e-01 4.22 -8.043797000e-01 -8.043797000e-01 4.24 -7.782357102e-01 -7.782357102e-01 4.26 -7.528419487e-01 -7.528419487e-01 4.28 -7.281843559e-01 -7.281843559e-01 4.30 -7.042510485e-01 -7.042510485e-01 4.32 -6.810317751e-01 -6.810317751e-01 4.34 -6.585172539e-01 -6.585172539e-01 4.36 -6.366984401e-01 -6.366984401e-01 4.38 -6.155657857e-01 -6.155657857e-01 4.40 -5.951085679e-01 -5.951085679e-01 4.42 -5.753143480e-01 -5.753143480e-01 4.44 -5.561686112e-01 -5.561686112e-01 4.46 -5.376546071e-01 -5.376546071e-01 4.48 -5.197533841e-01 -5.197533841e-01 4.50 -5.024439870e-01 -5.024439870e-01 4.52 -4.857037734e-01 -4.857037734e-01 4.54 -4.695087977e-01 -4.695087977e-01 4.56 -4.538342168e-01 -4.538342168e-01 4.58 -4.386546812e-01 -4.386546812e-01 4.60 -4.239446867e-01 -4.239446867e-01 4.62 -4.096788770e-01 -4.096788770e-01 4.64 -3.958322959e-01 -3.958322959e-01 4.66 -3.823805971e-01 -3.823805971e-01 4.68 -3.693002246e-01 -3.693002246e-01 4.70 -3.565685787e-01 -3.565685787e-01 4.72 -3.441641834e-01 -3.441641834e-01 4.74 -3.320668691e-01 -3.320668691e-01 4.76 -3.202579823e-01 -3.202579823e-01 4.78 -3.087206281e-01 -3.087206281e-01 4.80 -2.974398657e-01 -2.974398657e-01 4.82 -2.864033619e-01 -2.864033619e-01 4.84 -2.756011725e-01 -2.756011725e-01 4.86 -2.650264384e-01 -2.650264384e-01 4.88 -2.546755647e-01 -2.546755647e-01 4.90 -2.445484210e-01 -2.445484210e-01 4.92 -2.346484190e-01 -2.346484190e-01 4.94 -2.249824223e-01 -2.249824223e-01 4.96 -2.155604507e-01 -2.155604507e-01 4.98 -2.063951570e-01 -2.063951570e-01 5.00 -1.975010791e-01 -1.975010791e-01 5.02 -1.888936978e-01 -1.888936978e-01 5.04 -1.805883629e-01 -1.805883629e-01 5.06 -1.725991762e-01 -1.725991762e-01 5.08 -1.649379318e-01 -1.649379318e-01 5.10 -1.576132160e-01 -1.576132160e-01 5.12 -1.506297449e-01 -1.506297449e-01 5.14 -1.439879989e-01 -1.439879989e-01 5.16 -1.376841596e-01 -1.376841596e-01 5.18 -1.317103275e-01 -1.317103275e-01 5.20 -1.260546475e-01 -1.260546475e-01 5.22 -1.207024466e-01 -1.207024466e-01 5.24 -1.156371303e-01 -1.156371303e-01 5.26 -1.108403006e-01 -1.108403006e-01 5.28 -1.062924572e-01 -1.062924572e-01 5.30 -1.019736125e-01 -1.019736125e-01 5.32 -9.786379599e-02 -9.786379599e-02 5.34 -9.394344705e-02 -9.394344705e-02 5.36 -9.019370273e-02 -9.019370273e-02 5.38 -8.659659475e-02 -8.659659475e-02 5.40 -8.313517408e-02 -8.313517408e-02 5.42 -7.979358157e-02 -7.979358157e-02 5.44 -7.655708299e-02 -7.655708299e-02 5.46 -7.341208425e-02 -7.341208425e-02 5.48 -7.034614065e-02 -7.034614065e-02 5.50 -6.734797106e-02 -6.734797106e-02 5.52 -6.440748511e-02 -6.440748511e-02 5.54 -6.151582883e-02 -6.151582883e-02 5.56 -5.866545084e-02 -5.866545084e-02 5.58 -5.585018829e-02 -5.585018829e-02 5.60 -5.306536823e-02 -5.306536823e-02 5.62 -5.030791633e-02 -5.030791633e-02 5.64 -4.757646166e-02 -4.757646166e-02 5.66 -4.487142258e-02 -4.487142258e-02 5.68 -4.219505671e-02 -4.219505671e-02 5.70 -3.955145678e-02 -3.955145678e-02 5.72 -3.694647530e-02 -3.694647530e-02 5.74 -3.438756481e-02 -3.438756481e-02 5.76 -3.188352642e-02 -3.188352642e-02 5.78 -2.944416928e-02 -2.944416928e-02 5.80 -2.707989095e-02 -2.707989095e-02 5.82 -2.480120407e-02 -2.480120407e-02 5.84 -2.261823951e-02 -2.261823951e-02 5.86 -2.054026210e-02 -2.054026210e-02 5.88 -1.857523657e-02 -1.857523657e-02 5.90 -1.672947677e-02 -1.672947677e-02 5.92 -1.500729689e-02 -1.500729689e-02 5.94 -1.341085158e-02 -1.341085158e-02 5.96 -1.194069970e-02 -1.194069970e-02 5.98 -1.059545399e-02 -1.059545399e-02 6.00 -9.371949859e-03 -9.371949859e-03