# 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 = Mg2PdPt # 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 3.606993304e+02 3.606993304e+02 1.30 3.347807199e+02 3.347807199e+02 1.32 3.107171952e+02 3.107171952e+02 1.34 2.883667621e+02 2.883667621e+02 1.36 2.676034479e+02 2.676034479e+02 1.38 2.483116542e+02 2.483116542e+02 1.40 2.303815129e+02 2.303815129e+02 1.42 2.137074344e+02 2.137074344e+02 1.44 1.981893377e+02 1.981893377e+02 1.46 1.837352650e+02 1.837352650e+02 1.48 1.702635087e+02 1.702635087e+02 1.50 1.577025214e+02 1.577025214e+02 1.52 1.459885794e+02 1.459885794e+02 1.54 1.350627870e+02 1.350627870e+02 1.56 1.248690501e+02 1.248690501e+02 1.58 1.153533332e+02 1.153533332e+02 1.60 1.064637781e+02 1.064637781e+02 1.62 9.815129824e+01 9.815129824e+01 1.64 9.037062393e+01 9.037062393e+01 1.66 8.313110034e+01 8.313110034e+01 1.68 7.643303871e+01 7.643303871e+01 1.70 7.023662730e+01 7.023662730e+01 1.72 6.450692930e+01 6.450692930e+01 1.74 5.921190907e+01 5.921190907e+01 1.76 5.432100373e+01 5.432100373e+01 1.78 4.980459022e+01 4.980459022e+01 1.80 4.563429329e+01 4.563429329e+01 1.82 4.178359085e+01 4.178359085e+01 1.84 3.822818700e+01 3.822818700e+01 1.86 3.494592329e+01 3.494592329e+01 1.88 3.191633477e+01 3.191633477e+01 1.90 2.912014387e+01 2.912014387e+01 1.92 2.653897559e+01 2.653897559e+01 1.94 2.415539594e+01 2.415539594e+01 1.96 2.195319110e+01 2.195319110e+01 1.98 1.991765487e+01 1.991765487e+01 2.00 1.803570305e+01 1.803570305e+01 2.02 1.629576349e+01 1.629576349e+01 2.04 1.468752238e+01 1.468752238e+01 2.06 1.320164223e+01 1.320164223e+01 2.08 1.182952786e+01 1.182952786e+01 2.10 1.056316765e+01 1.056316765e+01 2.12 9.395038805e+00 9.395038805e+00 2.14 8.318066443e+00 8.318066443e+00 2.16 7.325618480e+00 7.325618480e+00 2.18 6.411516454e+00 6.411516454e+00 2.20 5.570047203e+00 5.570047203e+00 2.22 4.795959871e+00 4.795959871e+00 2.24 4.084450956e+00 4.084450956e+00 2.26 3.431139923e+00 3.431139923e+00 2.28 2.832036034e+00 2.832036034e+00 2.30 2.283501905e+00 2.283501905e+00 2.32 1.782203046e+00 1.782203046e+00 2.34 1.324925732e+00 1.324925732e+00 2.36 9.074886601e-01 9.074886601e-01 2.38 5.271957166e-01 5.271957166e-01 2.40 1.818120074e-01 1.818120074e-01 2.42 -1.309060215e-01 -1.309060215e-01 2.44 -4.132210348e-01 -4.132210348e-01 2.46 -6.674160140e-01 -6.674160140e-01 2.48 -8.957832377e-01 -8.957832377e-01 2.50 -1.100600827e+00 -1.100600827e+00 2.52 -1.284094793e+00 -1.284094793e+00 2.54 -1.448386812e+00 -1.448386812e+00 2.56 -1.595433866e+00 -1.595433866e+00 2.58 -1.726972853e+00 -1.726972853e+00 2.60 -1.844485729e+00 -1.844485729e+00 2.62 -1.949418475e+00 -1.949418475e+00 2.64 -2.042849422e+00 -2.042849422e+00 2.66 -2.125425669e+00 -2.125425669e+00 2.68 -2.197689978e+00 -2.197689978e+00 2.70 -2.260119607e+00 -2.260119607e+00 2.72 -2.313155507e+00 -2.313155507e+00 2.74 -2.357220402e+00 -2.357220402e+00 2.76 -2.392728058e+00 -2.392728058e+00 2.78 -2.420089038e+00 -2.420089038e+00 2.80 -2.439738891e+00 -2.439738891e+00 2.82 -2.452129921e+00 -2.452129921e+00 2.84 -2.457715197e+00 -2.457715197e+00 2.86 -2.456958341e+00 -2.456958341e+00 2.88 -2.450345680e+00 -2.450345680e+00 2.90 -2.438397462e+00 -2.438397462e+00 2.92 -2.421674837e+00 -2.421674837e+00 2.94 -2.400779169e+00 -2.400779169e+00 2.96 -2.376341252e+00 -2.376341252e+00 2.98 -2.349000184e+00 -2.349000184e+00 3.00 -2.319374624e+00 -2.319374624e+00 3.02 -2.288031839e+00 -2.288031839e+00 3.04 -2.255460838e+00 -2.255460838e+00 3.06 -2.222056687e+00 -2.222056687e+00 3.08 -2.188114615e+00 -2.188114615e+00 3.10 -2.153877190e+00 -2.153877190e+00 3.12 -2.119581085e+00 -2.119581085e+00 3.14 -2.085378995e+00 -2.085378995e+00 3.16 -2.051351378e+00 -2.051351378e+00 3.18 -2.017534810e+00 -2.017534810e+00 3.20 -1.983941264e+00 -1.983941264e+00 3.22 -1.950572042e+00 -1.950572042e+00 3.24 -1.917426787e+00 -1.917426787e+00 3.26 -1.884508747e+00 -1.884508747e+00 3.28 -1.851827242e+00 -1.851827242e+00 3.30 -1.819398053e+00 -1.819398053e+00 3.32 -1.787245217e+00 -1.787245217e+00 3.34 -1.755420879e+00 -1.755420879e+00 3.36 -1.723936671e+00 -1.723936671e+00 3.38 -1.692796119e+00 -1.692796119e+00 3.40 -1.662005335e+00 -1.662005335e+00 3.42 -1.631572116e+00 -1.631572116e+00 3.44 -1.601504899e+00 -1.601504899e+00 3.46 -1.571812786e+00 -1.571812786e+00 3.48 -1.542505240e+00 -1.542505240e+00 3.50 -1.513591815e+00 -1.513591815e+00 3.52 -1.485078686e+00 -1.485078686e+00 3.54 -1.456944944e+00 -1.456944944e+00 3.56 -1.429158197e+00 -1.429158197e+00 3.58 -1.401691919e+00 -1.401691919e+00 3.60 -1.374524087e+00 -1.374524087e+00 3.62 -1.347636002e+00 -1.347636002e+00 3.64 -1.321011347e+00 -1.321011347e+00 3.66 -1.294635447e+00 -1.294635447e+00 3.68 -1.268494748e+00 -1.268494748e+00 3.70 -1.242576488e+00 -1.242576488e+00 3.72 -1.216868561e+00 -1.216868561e+00 3.74 -1.191359533e+00 -1.191359533e+00 3.76 -1.166038790e+00 -1.166038790e+00 3.78 -1.140896766e+00 -1.140896766e+00 3.80 -1.115925197e+00 -1.115925197e+00 3.82 -1.091117328e+00 -1.091117328e+00 3.84 -1.066468028e+00 -1.066468028e+00 3.86 -1.041973759e+00 -1.041973759e+00 3.88 -1.017632411e+00 -1.017632411e+00 3.90 -9.934430302e-01 -9.934430302e-01 3.92 -9.694053771e-01 -9.694053771e-01 3.94 -9.455203172e-01 -9.455203172e-01 3.96 -9.217888409e-01 -9.217888409e-01 3.98 -8.982129610e-01 -8.982129610e-01 4.00 -8.747960445e-01 -8.747960445e-01 4.02 -8.515435733e-01 -8.515435733e-01 4.04 -8.284640776e-01 -8.284640776e-01 4.06 -8.055701207e-01 -8.055701207e-01 4.08 -7.828791927e-01 -7.828791927e-01 4.10 -7.604139818e-01 -7.604139818e-01 4.12 -7.382042205e-01 -7.382042205e-01 4.14 -7.162838965e-01 -7.162838965e-01 4.16 -6.946921669e-01 -6.946921669e-01 4.18 -6.734713837e-01 -6.734713837e-01 4.20 -6.526650401e-01 -6.526650401e-01 4.22 -6.323153164e-01 -6.323153164e-01 4.24 -6.124604591e-01 -6.124604591e-01 4.26 -5.931322758e-01 -5.931322758e-01 4.28 -5.743540220e-01 -5.743540220e-01 4.30 -5.561389059e-01 -5.561389059e-01 4.32 -5.384893387e-01 -5.384893387e-01 4.34 -5.213969499e-01 -5.213969499e-01 4.36 -5.048432788e-01 -5.048432788e-01 4.38 -4.888009831e-01 -4.888009831e-01 4.40 -4.732353700e-01 -4.732353700e-01 4.42 -4.581060629e-01 -4.581060629e-01 4.44 -4.433686496e-01 -4.433686496e-01 4.46 -4.289762094e-01 -4.289762094e-01 4.48 -4.148806685e-01 -4.148806685e-01 4.50 -4.010339784e-01 -4.010339784e-01 4.52 -3.873891431e-01 -3.873891431e-01 4.54 -3.739011444e-01 -3.739011444e-01 4.56 -3.605278182e-01 -3.605278182e-01 4.58 -3.472307328e-01 -3.472307328e-01 4.60 -3.339761068e-01 -3.339761068e-01 4.62 -3.207357870e-01 -3.207357870e-01 4.64 -3.074882802e-01 -3.074882802e-01 4.66 -2.942198078e-01 -2.942198078e-01 4.68 -2.809253225e-01 -2.809253225e-01 4.70 -2.676094019e-01 -2.676094019e-01 4.72 -2.542869136e-01 -2.542869136e-01 4.74 -2.409833343e-01 -2.409833343e-01 4.76 -2.277346147e-01 -2.277346147e-01 4.78 -2.145864959e-01 -2.145864959e-01 4.80 -2.015928594e-01 -2.015928594e-01 4.82 -1.888153909e-01 -1.888153909e-01 4.84 -1.763187621e-01 -1.763187621e-01 4.86 -1.641695251e-01 -1.641695251e-01 4.88 -1.524326722e-01 -1.524326722e-01 4.90 -1.411686715e-01 -1.411686715e-01 4.92 -1.304307701e-01 -1.304307701e-01 4.94 -1.202627820e-01 -1.202627820e-01 4.96 -1.106975210e-01 -1.106975210e-01 4.98 -1.017559676e-01 -1.017559676e-01 5.00 -9.344717801e-02 -9.344717801e-02 5.02 -8.576886471e-02 -8.576886471e-02 5.04 -7.870852451e-02 -7.870852451e-02 5.06 -7.224495189e-02 -7.224495189e-02 5.08 -6.634996939e-02 -6.634996939e-02 5.10 -6.099021837e-02 -6.099021837e-02 5.12 -5.612888124e-02 -5.612888124e-02 5.14 -5.172724891e-02 -5.172724891e-02 5.16 -4.774604499e-02 -4.774604499e-02 5.18 -4.414651176e-02 -4.414651176e-02 5.20 -4.089127795e-02 -4.089127795e-02 5.22 -3.794497348e-02 -3.794497348e-02 5.24 -3.527464415e-02 -3.527464415e-02 5.26 -3.284952996e-02 -3.284952996e-02 5.28 -3.064127923e-02 -3.064127923e-02 5.30 -2.862593111e-02 -2.862593111e-02 5.32 -2.678198975e-02 -2.678198975e-02 5.34 -2.509032572e-02 -2.509032572e-02 5.36 -2.353410651e-02 -2.353410651e-02 5.38 -2.209866960e-02 -2.209866960e-02 5.40 -2.077135473e-02 -2.077135473e-02 5.42 -1.954131033e-02 -1.954131033e-02 5.44 -1.839928529e-02 -1.839928529e-02 5.46 -1.733741344e-02 -1.733741344e-02 5.48 -1.634899801e-02 -1.634899801e-02 5.50 -1.542830290e-02 -1.542830290e-02 5.52 -1.457035740e-02 -1.457035740e-02 5.54 -1.377078070e-02 -1.377078070e-02 5.56 -1.302563112e-02 -1.302563112e-02 5.58 -1.233128346e-02 -1.233128346e-02 5.60 -1.168433580e-02 -1.168433580e-02 5.62 -1.108154449e-02 -1.108154449e-02 5.64 -1.051978446e-02 -1.051978446e-02 5.66 -9.996030311e-03 -9.996030311e-03 5.68 -9.507352851e-03 -9.507352851e-03 5.70 -9.050925871e-03 -9.050925871e-03 5.72 -8.624038366e-03 -8.624038366e-03 5.74 -8.224108931e-03 -8.224108931e-03 5.76 -7.848740167e-03 -7.848740167e-03 5.78 -7.495659847e-03 -7.495659847e-03 5.80 -7.162723873e-03 -7.162723873e-03 5.82 -6.847948708e-03 -6.847948708e-03 5.84 -6.549509550e-03 -6.549509550e-03 5.86 -6.265735623e-03 -6.265735623e-03 5.88 -5.995103360e-03 -5.995103360e-03 5.90 -5.736228276e-03 -5.736228276e-03 5.92 -5.487856267e-03 -5.487856267e-03 5.94 -5.248854950e-03 -5.248854950e-03 5.96 -5.018205588e-03 -5.018205588e-03 5.98 -4.794995958e-03 -4.794995958e-03 6.00 -4.578414450e-03 -4.578414450e-03