# 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 = FePdZr2 # 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 3.492594986e+02 3.492594986e+02 1.30 3.238937334e+02 3.238937334e+02 1.32 3.004070084e+02 3.004070084e+02 1.34 2.786481817e+02 2.786481817e+02 1.36 2.584775353e+02 2.584775353e+02 1.38 2.397667944e+02 2.397667944e+02 1.40 2.223992171e+02 2.223992171e+02 1.42 2.062694104e+02 2.062694104e+02 1.44 1.912828675e+02 1.912828675e+02 1.46 1.773549228e+02 1.773549228e+02 1.48 1.644091981e+02 1.644091981e+02 1.50 1.523759883e+02 1.523759883e+02 1.52 1.411908904e+02 1.411908904e+02 1.54 1.307935941e+02 1.307935941e+02 1.56 1.211271387e+02 1.211271387e+02 1.58 1.121376679e+02 1.121376679e+02 1.60 1.037746403e+02 1.037746403e+02 1.62 9.599114789e+01 9.599114789e+01 1.64 8.874419643e+01 8.874419643e+01 1.66 8.199466317e+01 8.199466317e+01 1.68 7.570697622e+01 7.570697622e+01 1.70 6.984863806e+01 6.984863806e+01 1.72 6.438964322e+01 6.438964322e+01 1.74 5.930200587e+01 5.930200587e+01 1.76 5.455950466e+01 5.455950466e+01 1.78 5.013764237e+01 5.013764237e+01 1.80 4.601364616e+01 4.601364616e+01 1.82 4.216638315e+01 4.216638315e+01 1.84 3.857621566e+01 3.857621566e+01 1.86 3.522494468e+01 3.522494468e+01 1.88 3.209576840e+01 3.209576840e+01 1.90 2.917387640e+01 2.917387640e+01 1.92 2.644574129e+01 2.644574129e+01 1.94 2.389830339e+01 2.389830339e+01 1.96 2.152655064e+01 2.152655064e+01 1.98 1.932508984e+01 1.932508984e+01 2.00 1.728228681e+01 1.728228681e+01 2.02 1.538733630e+01 1.538733630e+01 2.04 1.363015795e+01 1.363015795e+01 2.06 1.200132513e+01 1.200132513e+01 2.08 1.049201102e+01 1.049201102e+01 2.10 9.093963451e+00 9.093963451e+00 2.12 7.799467868e+00 7.799467868e+00 2.14 6.601323964e+00 6.601323964e+00 2.16 5.492830135e+00 5.492830135e+00 2.18 4.467756257e+00 4.467756257e+00 2.20 3.520324741e+00 3.520324741e+00 2.22 2.645161232e+00 2.645161232e+00 2.24 1.837262126e+00 1.837262126e+00 2.26 1.091980982e+00 1.091980982e+00 2.28 4.050153236e-01 4.050153236e-01 2.30 -2.275682112e-01 -2.275682112e-01 2.32 -8.093766929e-01 -8.093766929e-01 2.34 -1.343709048e+00 -1.343709048e+00 2.36 -1.833621345e+00 -1.833621345e+00 2.38 -2.281978472e+00 -2.281978472e+00 2.40 -2.691500524e+00 -2.691500524e+00 2.42 -3.064804656e+00 -3.064804656e+00 2.44 -3.404419807e+00 -3.404419807e+00 2.46 -3.712801927e+00 -3.712801927e+00 2.48 -3.992325139e+00 -3.992325139e+00 2.50 -4.245261021e+00 -4.245261021e+00 2.52 -4.473750141e+00 -4.473750141e+00 2.54 -4.679773583e+00 -4.679773583e+00 2.56 -4.865131670e+00 -4.865131670e+00 2.58 -5.031435227e+00 -5.031435227e+00 2.60 -5.180111561e+00 -5.180111561e+00 2.62 -5.312420265e+00 -5.312420265e+00 2.64 -5.429490761e+00 -5.429490761e+00 2.66 -5.532343183e+00 -5.532343183e+00 2.68 -5.622016159e+00 -5.622016159e+00 2.70 -5.699258669e+00 -5.699258669e+00 2.72 -5.764729738e+00 -5.764729738e+00 2.74 -5.819060918e+00 -5.819060918e+00 2.76 -5.862853537e+00 -5.862853537e+00 2.78 -5.896673726e+00 -5.896673726e+00 2.80 -5.921064358e+00 -5.921064358e+00 2.82 -5.936526540e+00 -5.936526540e+00 2.84 -5.943394735e+00 -5.943394735e+00 2.86 -5.941824185e+00 -5.941824185e+00 2.88 -5.932025272e+00 -5.932025272e+00 2.90 -5.914276652e+00 -5.914276652e+00 2.92 -5.888917552e+00 -5.888917552e+00 2.94 -5.856336983e+00 -5.856336983e+00 2.96 -5.816960198e+00 -5.816960198e+00 2.98 -5.771233697e+00 -5.771233697e+00 3.00 -5.719610702e+00 -5.719610702e+00 3.02 -5.662538926e+00 -5.662538926e+00 3.04 -5.600518633e+00 -5.600518633e+00 3.06 -5.534195210e+00 -5.534195210e+00 3.08 -5.463861508e+00 -5.463861508e+00 3.10 -5.389794758e+00 -5.389794758e+00 3.12 -5.312280770e+00 -5.312280770e+00 3.14 -5.231631503e+00 -5.231631503e+00 3.16 -5.148161902e+00 -5.148161902e+00 3.18 -5.062203163e+00 -5.062203163e+00 3.20 -4.974102898e+00 -4.974102898e+00 3.22 -4.884224098e+00 -4.884224098e+00 3.24 -4.792952195e+00 -4.792952195e+00 3.26 -4.700704360e+00 -4.700704360e+00 3.28 -4.607902726e+00 -4.607902726e+00 3.30 -4.514964876e+00 -4.514964876e+00 3.32 -4.422294227e+00 -4.422294227e+00 3.34 -4.330237458e+00 -4.330237458e+00 3.36 -4.239046908e+00 -4.239046908e+00 3.38 -4.148933916e+00 -4.148933916e+00 3.40 -4.060066448e+00 -4.060066448e+00 3.42 -3.972572785e+00 -3.972572785e+00 3.44 -3.886530052e+00 -3.886530052e+00 3.46 -3.801978216e+00 -3.801978216e+00 3.48 -3.718925012e+00 -3.718925012e+00 3.50 -3.637353812e+00 -3.637353812e+00 3.52 -3.557230832e+00 -3.557230832e+00 3.54 -3.478511057e+00 -3.478511057e+00 3.56 -3.401142690e+00 -3.401142690e+00 3.58 -3.325070267e+00 -3.325070267e+00 3.60 -3.250236704e+00 -3.250236704e+00 3.62 -3.176584614e+00 -3.176584614e+00 3.64 -3.104057212e+00 -3.104057212e+00 3.66 -3.032599124e+00 -3.032599124e+00 3.68 -2.962157343e+00 -2.962157343e+00 3.70 -2.892682538e+00 -2.892682538e+00 3.72 -2.824130839e+00 -2.824130839e+00 3.74 -2.756466112e+00 -2.756466112e+00 3.76 -2.689662616e+00 -2.689662616e+00 3.78 -2.623707755e+00 -2.623707755e+00 3.80 -2.558604471e+00 -2.558604471e+00 3.82 -2.494372720e+00 -2.494372720e+00 3.84 -2.431049415e+00 -2.431049415e+00 3.86 -2.368686408e+00 -2.368686408e+00 3.88 -2.307346388e+00 -2.307346388e+00 3.90 -2.247097061e+00 -2.247097061e+00 3.92 -2.188000865e+00 -2.188000865e+00 3.94 -2.130123517e+00 -2.130123517e+00 3.96 -2.073505179e+00 -2.073505179e+00 3.98 -2.018174286e+00 -2.018174286e+00 4.00 -1.964142582e+00 -1.964142582e+00 4.02 -1.911406783e+00 -1.911406783e+00 4.04 -1.859951736e+00 -1.859951736e+00 4.06 -1.809754251e+00 -1.809754251e+00 4.08 -1.760786854e+00 -1.760786854e+00 4.10 -1.713013461e+00 -1.713013461e+00 4.12 -1.666422743e+00 -1.666422743e+00 4.14 -1.620980160e+00 -1.620980160e+00 4.16 -1.576662838e+00 -1.576662838e+00 4.18 -1.533449999e+00 -1.533449999e+00 4.20 -1.491322169e+00 -1.491322169e+00 4.22 -1.450260242e+00 -1.450260242e+00 4.24 -1.410244583e+00 -1.410244583e+00 4.26 -1.371254347e+00 -1.371254347e+00 4.28 -1.333267055e+00 -1.333267055e+00 4.30 -1.296258442e+00 -1.296258442e+00 4.32 -1.260202543e+00 -1.260202543e+00 4.34 -1.225071935e+00 -1.225071935e+00 4.36 -1.190838090e+00 -1.190838090e+00 4.38 -1.157471759e+00 -1.157471759e+00 4.40 -1.124943356e+00 -1.124943356e+00 4.42 -1.093223321e+00 -1.093223321e+00 4.44 -1.062282437e+00 -1.062282437e+00 4.46 -1.032092127e+00 -1.032092127e+00 4.48 -1.002624718e+00 -1.002624718e+00 4.50 -9.738537111e-01 -9.738537111e-01 4.52 -9.457540401e-01 -9.457540401e-01 4.54 -9.183023575e-01 -9.183023575e-01 4.56 -8.914773316e-01 -8.914773316e-01 4.58 -8.652599590e-01 -8.652599590e-01 4.60 -8.396338788e-01 -8.396338788e-01 4.62 -8.145856648e-01 -8.145856648e-01 4.64 -7.901050666e-01 -7.901050666e-01 4.66 -7.661851617e-01 -7.661851617e-01 4.68 -7.428223777e-01 -7.428223777e-01 4.70 -7.200163494e-01 -7.200163494e-01 4.72 -6.977695820e-01 -6.977695820e-01 4.74 -6.760869122e-01 -6.760869122e-01 4.76 -6.549747794e-01 -6.549747794e-01 4.78 -6.344403454e-01 -6.344403454e-01 4.80 -6.144843542e-01 -6.144843542e-01 4.82 -5.951258911e-01 -5.951258911e-01 4.84 -5.763611290e-01 -5.763611290e-01 4.86 -5.581908035e-01 -5.581908035e-01 4.88 -5.406122454e-01 -5.406122454e-01 4.90 -5.236190996e-01 -5.236190996e-01 4.92 -5.072012940e-01 -5.072012940e-01 4.94 -4.913452336e-01 -4.913452336e-01 4.96 -4.760341769e-01 -4.760341769e-01 4.98 -4.612487358e-01 -4.612487358e-01 5.00 -4.469674425e-01 -4.469674425e-01 5.02 -4.331673308e-01 -4.331673308e-01 5.04 -4.198244900e-01 -4.198244900e-01 5.06 -4.069145637e-01 -4.069145637e-01 5.08 -3.944131783e-01 -3.944131783e-01 5.10 -3.822962964e-01 -3.822962964e-01 5.12 -3.705405019e-01 -3.705405019e-01 5.14 -3.591232248e-01 -3.591232248e-01 5.16 -3.480229230e-01 -3.480229230e-01 5.18 -3.372192345e-01 -3.372192345e-01 5.20 -3.266931144e-01 -3.266931144e-01 5.22 -3.164269712e-01 -3.164269712e-01 5.24 -3.064048104e-01 -3.064048104e-01 5.26 -2.966123913e-01 -2.966123913e-01 5.28 -2.870373962e-01 -2.870373962e-01 5.30 -2.776696082e-01 -2.776696082e-01 5.32 -2.685010836e-01 -2.685010836e-01 5.34 -2.595263015e-01 -2.595263015e-01 5.36 -2.507422680e-01 -2.507422680e-01 5.38 -2.421485468e-01 -2.421485468e-01 5.40 -2.337471911e-01 -2.337471911e-01 5.42 -2.255425521e-01 -2.255425521e-01 5.44 -2.175409526e-01 -2.175409526e-01 5.46 -2.097502245e-01 -2.097502245e-01 5.48 -2.021791258e-01 -2.021791258e-01 5.50 -1.948366724e-01 -1.948366724e-01 5.52 -1.877314328e-01 -1.877314328e-01 5.54 -1.808708434e-01 -1.808708434e-01 5.56 -1.742606005e-01 -1.742606005e-01 5.58 -1.679041822e-01 -1.679041822e-01 5.60 -1.618023279e-01 -1.618023279e-01 5.62 -1.559531543e-01 -1.559531543e-01 5.64 -1.503525266e-01 -1.503525266e-01 5.66 -1.449937866e-01 -1.449937866e-01 5.68 -1.398680656e-01 -1.398680656e-01 5.70 -1.349646763e-01 -1.349646763e-01 5.72 -1.302715358e-01 -1.302715358e-01 5.74 -1.257755842e-01 -1.257755842e-01 5.76 -1.214631718e-01 -1.214631718e-01 5.78 -1.173203954e-01 -1.173203954e-01 5.80 -1.133333774e-01 -1.133333774e-01 5.82 -1.094884838e-01 -1.094884838e-01 5.84 -1.057724862e-01 -1.057724862e-01 5.86 -1.021726758e-01 -1.021726758e-01 5.88 -9.867693751e-02 -9.867693751e-02 5.90 -9.527379498e-02 -9.527379498e-02 5.92 -9.195243661e-02 -9.195243661e-02 5.94 -8.870273083e-02 -8.870273083e-02 5.96 -8.551523891e-02 -8.551523891e-02 5.98 -8.238123167e-02 -8.238123167e-02 6.00 -7.929271532e-02 -7.929271532e-02