# 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 = MgPtW2 # 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 5.248929632e+02 5.248929632e+02 1.30 4.875971637e+02 4.875971637e+02 1.32 4.529814123e+02 4.529814123e+02 1.34 4.208323500e+02 4.208323500e+02 1.36 3.909678689e+02 3.909678689e+02 1.38 3.632259712e+02 3.632259712e+02 1.40 3.374553530e+02 3.374553530e+02 1.42 3.135104937e+02 3.135104937e+02 1.44 2.912512999e+02 2.912512999e+02 1.46 2.705458038e+02 2.705458038e+02 1.48 2.512731370e+02 2.512731370e+02 1.50 2.333244297e+02 2.333244297e+02 1.52 2.166014198e+02 2.166014198e+02 1.54 2.010142305e+02 2.010142305e+02 1.56 1.864796491e+02 1.864796491e+02 1.58 1.729201734e+02 1.729201734e+02 1.60 1.602633767e+02 1.602633767e+02 1.62 1.484413907e+02 1.484413907e+02 1.64 1.373907288e+02 1.373907288e+02 1.66 1.270526446e+02 1.270526446e+02 1.68 1.173738349e+02 1.173738349e+02 1.70 1.083070609e+02 1.083070609e+02 1.72 9.981133033e+01 9.981133033e+01 1.74 9.185144308e+01 9.185144308e+01 1.76 8.439703651e+01 8.439703651e+01 1.78 7.742153079e+01 7.742153079e+01 1.80 7.090121925e+01 7.090121925e+01 1.82 6.481439548e+01 6.481439548e+01 1.84 5.914116037e+01 5.914116037e+01 1.86 5.386072597e+01 5.386072597e+01 1.88 4.895067219e+01 4.895067219e+01 1.90 4.440083655e+01 4.440083655e+01 1.92 4.023172672e+01 4.023172672e+01 1.94 3.641210486e+01 3.641210486e+01 1.96 3.290891211e+01 3.290891211e+01 1.98 2.969266020e+01 2.969266020e+01 2.00 2.673734679e+01 2.673734679e+01 2.02 2.402007235e+01 2.402007235e+01 2.04 2.152052293e+01 2.152052293e+01 2.06 1.922045660e+01 1.922045660e+01 2.08 1.710327796e+01 1.710327796e+01 2.10 1.515372947e+01 1.515372947e+01 2.12 1.335770797e+01 1.335770797e+01 2.14 1.170218784e+01 1.170218784e+01 2.16 1.017522752e+01 1.017522752e+01 2.18 8.766013748e+00 8.766013748e+00 2.20 7.464893920e+00 7.464893920e+00 2.22 6.263354900e+00 6.263354900e+00 2.24 5.153938602e+00 5.153938602e+00 2.26 4.130107780e+00 4.130107780e+00 2.28 3.186089469e+00 3.186089469e+00 2.30 2.316718228e+00 2.316718228e+00 2.32 1.517296814e+00 1.517296814e+00 2.34 7.834824866e-01 7.834824866e-01 2.36 1.111964473e-01 1.111964473e-01 2.38 -5.034406061e-01 -5.034406061e-01 2.40 -1.064150820e+00 -1.064150820e+00 2.42 -1.574522368e+00 -1.574522368e+00 2.44 -2.038016484e+00 -2.038016484e+00 2.46 -2.457907574e+00 -2.457907574e+00 2.48 -2.837273409e+00 -2.837273409e+00 2.50 -3.179330077e+00 -3.179330077e+00 2.52 -3.487138400e+00 -3.487138400e+00 2.54 -3.763562070e+00 -3.763562070e+00 2.56 -4.011236858e+00 -4.011236858e+00 2.58 -4.232535151e+00 -4.232535151e+00 2.60 -4.429540555e+00 -4.429540555e+00 2.62 -4.603953234e+00 -4.603953234e+00 2.64 -4.756750600e+00 -4.756750600e+00 2.66 -4.888667285e+00 -4.888667285e+00 2.68 -5.000460438e+00 -5.000460438e+00 2.70 -5.093880131e+00 -5.093880131e+00 2.72 -5.169805762e+00 -5.169805762e+00 2.74 -5.228647562e+00 -5.228647562e+00 2.76 -5.270884110e+00 -5.270884110e+00 2.78 -5.297052981e+00 -5.297052981e+00 2.80 -5.307742495e+00 -5.307742495e+00 2.82 -5.303585591e+00 -5.303585591e+00 2.84 -5.285260616e+00 -5.285260616e+00 2.86 -5.253497878e+00 -5.253497878e+00 2.88 -5.209092197e+00 -5.209092197e+00 2.90 -5.152918892e+00 -5.152918892e+00 2.92 -5.085948997e+00 -5.085948997e+00 2.94 -5.009258264e+00 -5.009258264e+00 2.96 -4.924024264e+00 -4.924024264e+00 2.98 -4.831507362e+00 -4.831507362e+00 3.00 -4.733014531e+00 -4.733014531e+00 3.02 -4.629849197e+00 -4.629849197e+00 3.04 -4.523254011e+00 -4.523254011e+00 3.06 -4.414356704e+00 -4.414356704e+00 3.08 -4.304124666e+00 -4.304124666e+00 3.10 -4.193337866e+00 -4.193337866e+00 3.12 -4.082578702e+00 -4.082578702e+00 3.14 -3.972240297e+00 -3.972240297e+00 3.16 -3.862545048e+00 -3.862545048e+00 3.18 -3.753574930e+00 -3.753574930e+00 3.20 -3.645304505e+00 -3.645304505e+00 3.22 -3.537635141e+00 -3.537635141e+00 3.24 -3.430427600e+00 -3.430427600e+00 3.26 -3.323531451e+00 -3.323531451e+00 3.28 -3.216810444e+00 -3.216810444e+00 3.30 -3.110163494e+00 -3.110163494e+00 3.32 -3.003541168e+00 -3.003541168e+00 3.34 -2.896957754e+00 -2.896957754e+00 3.36 -2.790502317e+00 -2.790502317e+00 3.38 -2.684551051e+00 -2.684551051e+00 3.40 -2.579853361e+00 -2.579853361e+00 3.42 -2.477168052e+00 -2.477168052e+00 3.44 -2.377214802e+00 -2.377214802e+00 3.46 -2.280653766e+00 -2.280653766e+00 3.48 -2.187910811e+00 -2.187910811e+00 3.50 -2.099302792e+00 -2.099302792e+00 3.52 -2.015045554e+00 -2.015045554e+00 3.54 -1.935116747e+00 -1.935116747e+00 3.56 -1.859280617e+00 -1.859280617e+00 3.58 -1.787314986e+00 -1.787314986e+00 3.60 -1.719019505e+00 -1.719019505e+00 3.62 -1.654208644e+00 -1.654208644e+00 3.64 -1.592705769e+00 -1.592705769e+00 3.66 -1.534338699e+00 -1.534338699e+00 3.68 -1.478936881e+00 -1.478936881e+00 3.70 -1.426330069e+00 -1.426330069e+00 3.72 -1.376348246e+00 -1.376348246e+00 3.74 -1.328822422e+00 -1.328822422e+00 3.76 -1.283585956e+00 -1.283585956e+00 3.78 -1.240476054e+00 -1.240476054e+00 3.80 -1.199335209e+00 -1.199335209e+00 3.82 -1.160012386e+00 -1.160012386e+00 3.84 -1.122363859e+00 -1.122363859e+00 3.86 -1.086253674e+00 -1.086253674e+00 3.88 -1.051553776e+00 -1.051553776e+00 3.90 -1.018143876e+00 -1.018143876e+00 3.92 -9.859111589e-01 -9.859111589e-01 3.94 -9.547501740e-01 -9.547501740e-01 3.96 -9.245624979e-01 -9.245624979e-01 3.98 -8.952570169e-01 -8.952570169e-01 4.00 -8.667503058e-01 -8.667503058e-01 4.02 -8.389673540e-01 -8.389673540e-01 4.04 -8.118425589e-01 -8.118425589e-01 4.06 -7.853209004e-01 -7.853209004e-01 4.08 -7.593591630e-01 -7.593591630e-01 4.10 -7.339266500e-01 -7.339266500e-01 4.12 -7.090075254e-01 -7.090075254e-01 4.14 -6.845984703e-01 -6.845984703e-01 4.16 -6.607098507e-01 -6.607098507e-01 4.18 -6.373636919e-01 -6.373636919e-01 4.20 -6.145911566e-01 -6.145911566e-01 4.22 -5.924291662e-01 -5.924291662e-01 4.24 -5.709164407e-01 -5.709164407e-01 4.26 -5.500893545e-01 -5.500893545e-01 4.28 -5.299780652e-01 -5.299780652e-01 4.30 -5.106033400e-01 -5.106033400e-01 4.32 -4.919743866e-01 -4.919743866e-01 4.34 -4.740878305e-01 -4.740878305e-01 4.36 -4.569278029e-01 -4.569278029e-01 4.38 -4.404669573e-01 -4.404669573e-01 4.40 -4.246681461e-01 -4.246681461e-01 4.42 -4.094864646e-01 -4.094864646e-01 4.44 -3.948714016e-01 -3.948714016e-01 4.46 -3.807688928e-01 -3.807688928e-01 4.48 -3.671231257e-01 -3.671231257e-01 4.50 -3.538781200e-01 -3.538781200e-01 4.52 -3.409789688e-01 -3.409789688e-01 4.54 -3.283718529e-01 -3.283718529e-01 4.56 -3.160075703e-01 -3.160075703e-01 4.58 -3.038409650e-01 -3.038409650e-01 4.60 -2.918308944e-01 -2.918308944e-01 4.62 -2.799411886e-01 -2.799411886e-01 4.64 -2.681415400e-01 -2.681415400e-01 4.66 -2.564083681e-01 -2.564083681e-01 4.68 -2.447256643e-01 -2.447256643e-01 4.70 -2.330857799e-01 -2.330857799e-01 4.72 -2.214900913e-01 -2.214900913e-01 4.74 -2.099494469e-01 -2.099494469e-01 4.76 -1.984842915e-01 -1.984842915e-01 4.78 -1.871243628e-01 -1.871243628e-01 4.80 -1.759076729e-01 -1.759076729e-01 4.82 -1.648800093e-01 -1.648800093e-01 4.84 -1.540917062e-01 -1.540917062e-01 4.86 -1.435963028e-01 -1.435963028e-01 4.88 -1.334475324e-01 -1.334475324e-01 4.90 -1.236966940e-01 -1.236966940e-01 4.92 -1.143901057e-01 -1.143901057e-01 4.94 -1.055669078e-01 -1.055669078e-01 4.96 -9.725740618e-02 -9.725740618e-02 4.98 -8.948206280e-02 -8.948206280e-02 5.00 -8.225116594e-02 -8.225116594e-02 5.02 -7.556513459e-02 -7.556513459e-02 5.04 -6.941535289e-02 -6.941535289e-02 5.06 -6.378539272e-02 -6.378539272e-02 5.08 -5.865246967e-02 -5.865246967e-02 5.10 -5.398898641e-02 -5.398898641e-02 5.12 -4.976404053e-02 -4.976404053e-02 5.14 -4.594480579e-02 -4.594480579e-02 5.16 -4.249772829e-02 -4.249772829e-02 5.18 -3.938950920e-02 -3.938950920e-02 5.20 -3.658786955e-02 -3.658786955e-02 5.22 -3.406211003e-02 -3.406211003e-02 5.24 -3.178348825e-02 -3.178348825e-02 5.26 -2.972544376e-02 -2.972544376e-02 5.28 -2.786370010e-02 -2.786370010e-02 5.30 -2.617627208e-02 -2.617627208e-02 5.32 -2.464340365e-02 -2.464340365e-02 5.34 -2.324745789e-02 -2.324745789e-02 5.36 -2.197277605e-02 -2.197277605e-02 5.38 -2.080551928e-02 -2.080551928e-02 5.40 -1.973350282e-02 -1.973350282e-02 5.42 -1.874603018e-02 -1.874603018e-02 5.44 -1.783370442e-02 -1.783370442e-02 5.46 -1.698828187e-02 -1.698828187e-02 5.48 -1.620262445e-02 -1.620262445e-02 5.50 -1.547049099e-02 -1.547049099e-02 5.52 -1.478641765e-02 -1.478641765e-02 5.54 -1.414561353e-02 -1.414561353e-02 5.56 -1.354386801e-02 -1.354386801e-02 5.58 -1.297746967e-02 -1.297746967e-02 5.60 -1.244313595e-02 -1.244313595e-02 5.62 -1.193795282e-02 -1.193795282e-02 5.64 -1.145932348e-02 -1.145932348e-02 5.66 -1.100492480e-02 -1.100492480e-02 5.68 -1.057267063e-02 -1.057267063e-02 5.70 -1.016068068e-02 -1.016068068e-02 5.72 -9.767254184e-03 -9.767254184e-03 5.74 -9.390847402e-03 -9.390847402e-03 5.76 -9.030054333e-03 -9.030054333e-03 5.78 -8.683590095e-03 -8.683590095e-03 5.80 -8.350276561e-03 -8.350276561e-03 5.82 -8.029029958e-03 -8.029029958e-03 5.84 -7.718850224e-03 -7.718850224e-03 5.86 -7.418811980e-03 -7.418811980e-03 5.88 -7.128057040e-03 -7.128057040e-03 5.90 -6.845788408e-03 -6.845788408e-03 5.92 -6.571265720e-03 -6.571265720e-03 5.94 -6.303802150e-03 -6.303802150e-03 5.96 -6.042762741e-03 -6.042762741e-03 5.98 -5.787564174e-03 -5.787564174e-03 6.00 -5.537675928e-03 -5.537675928e-03