# 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 = AlMgNi2 # 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 1.605941095e+02 1.605941095e+02 1.30 1.483926972e+02 1.483926972e+02 1.32 1.371185365e+02 1.371185365e+02 1.34 1.266925027e+02 1.266925027e+02 1.36 1.170450809e+02 1.170450809e+02 1.38 1.081165637e+02 1.081165637e+02 1.40 9.985449348e+01 9.985449348e+01 1.42 9.221048184e+01 9.221048184e+01 1.44 8.513794156e+01 8.513794156e+01 1.46 7.859133425e+01 7.859133425e+01 1.48 7.252699458e+01 7.252699458e+01 1.50 6.690473986e+01 6.690473986e+01 1.52 6.168900269e+01 6.168900269e+01 1.54 5.684880990e+01 5.684880990e+01 1.56 5.235684825e+01 5.235684825e+01 1.58 4.818830359e+01 4.818830359e+01 1.60 4.432002571e+01 4.432002571e+01 1.62 4.073109932e+01 4.073109932e+01 1.64 3.740266877e+01 3.740266877e+01 1.66 3.431576519e+01 3.431576519e+01 1.68 3.145270029e+01 3.145270029e+01 1.70 2.879699847e+01 2.879699847e+01 1.72 2.633334454e+01 2.633334454e+01 1.74 2.404750916e+01 2.404750916e+01 1.76 2.192628482e+01 2.192628482e+01 1.78 1.995751562e+01 1.995751562e+01 1.80 1.813020038e+01 1.813020038e+01 1.82 1.643455795e+01 1.643455795e+01 1.84 1.486194370e+01 1.486194370e+01 1.86 1.340460450e+01 1.340460450e+01 1.88 1.205533204e+01 1.205533204e+01 1.90 1.080713213e+01 1.080713213e+01 1.92 9.653008998e+00 9.653008998e+00 1.94 8.585926886e+00 8.585926886e+00 1.96 7.598944359e+00 7.598944359e+00 1.98 6.685456537e+00 6.685456537e+00 2.00 5.839434448e+00 5.839434448e+00 2.02 5.055568342e+00 5.055568342e+00 2.04 4.329282295e+00 4.329282295e+00 2.06 3.656642496e+00 3.656642496e+00 2.08 3.034211053e+00 3.034211053e+00 2.10 2.458898331e+00 2.458898331e+00 2.12 1.927848562e+00 1.927848562e+00 2.14 1.438366775e+00 1.438366775e+00 2.16 9.878798456e-01 9.878798456e-01 2.18 5.739162175e-01 5.739162175e-01 2.20 1.940958271e-01 1.940958271e-01 2.22 -1.538757797e-01 -1.538757797e-01 2.24 -4.722068369e-01 -4.722068369e-01 2.26 -7.630132641e-01 -7.630132641e-01 2.28 -1.028311371e+00 -1.028311371e+00 2.30 -1.270013093e+00 -1.270013093e+00 2.32 -1.489927830e+00 -1.489927830e+00 2.34 -1.689759108e+00 -1.689759108e+00 2.36 -1.871092979e+00 -1.871092979e+00 2.38 -2.035374947e+00 -2.035374947e+00 2.40 -2.183889416e+00 -2.183889416e+00 2.42 -2.317753116e+00 -2.317753116e+00 2.44 -2.437941714e+00 -2.437941714e+00 2.46 -2.545329464e+00 -2.545329464e+00 2.48 -2.640730756e+00 -2.640730756e+00 2.50 -2.724932711e+00 -2.724932711e+00 2.52 -2.798713905e+00 -2.798713905e+00 2.54 -2.862850051e+00 -2.862850051e+00 2.56 -2.918500732e+00 -2.918500732e+00 2.58 -2.966351417e+00 -2.966351417e+00 2.60 -3.006579864e+00 -3.006579864e+00 2.62 -3.039466257e+00 -3.039466257e+00 2.64 -3.065364680e+00 -3.065364680e+00 2.66 -3.084673475e+00 -3.084673475e+00 2.68 -3.097812054e+00 -3.097812054e+00 2.70 -3.105205418e+00 -3.105205418e+00 2.72 -3.107281144e+00 -3.107281144e+00 2.74 -3.104475056e+00 -3.104475056e+00 2.76 -3.097213077e+00 -3.097213077e+00 2.78 -3.085899048e+00 -3.085899048e+00 2.80 -3.070903013e+00 -3.070903013e+00 2.82 -3.052548873e+00 -3.052548873e+00 2.84 -3.031108649e+00 -3.031108649e+00 2.86 -3.006803416e+00 -3.006803416e+00 2.88 -2.979811106e+00 -2.979811106e+00 2.90 -2.950278522e+00 -2.950278522e+00 2.92 -2.918334869e+00 -2.918334869e+00 2.94 -2.884104899e+00 -2.884104899e+00 2.96 -2.847720696e+00 -2.847720696e+00 2.98 -2.809331603e+00 -2.809331603e+00 3.00 -2.769111721e+00 -2.769111721e+00 3.02 -2.727264084e+00 -2.727264084e+00 3.04 -2.684020219e+00 -2.684020219e+00 3.06 -2.639635459e+00 -2.639635459e+00 3.08 -2.594377349e+00 -2.594377349e+00 3.10 -2.548512758e+00 -2.548512758e+00 3.12 -2.502293019e+00 -2.502293019e+00 3.14 -2.455942551e+00 -2.455942551e+00 3.16 -2.409649762e+00 -2.409649762e+00 3.18 -2.363574653e+00 -2.363574653e+00 3.20 -2.317838070e+00 -2.317838070e+00 3.22 -2.272510112e+00 -2.272510112e+00 3.24 -2.227639650e+00 -2.227639650e+00 3.26 -2.183260669e+00 -2.183260669e+00 3.28 -2.139397392e+00 -2.139397392e+00 3.30 -2.096067913e+00 -2.096067913e+00 3.32 -2.053286289e+00 -2.053286289e+00 3.34 -2.011063376e+00 -2.011063376e+00 3.36 -1.969403900e+00 -1.969403900e+00 3.38 -1.928292043e+00 -1.928292043e+00 3.40 -1.887704959e+00 -1.887704959e+00 3.42 -1.847620970e+00 -1.847620970e+00 3.44 -1.808018789e+00 -1.808018789e+00 3.46 -1.768877546e+00 -1.768877546e+00 3.48 -1.730176788e+00 -1.730176788e+00 3.50 -1.691896660e+00 -1.691896660e+00 3.52 -1.654018175e+00 -1.654018175e+00 3.54 -1.616523529e+00 -1.616523529e+00 3.56 -1.579396461e+00 -1.579396461e+00 3.58 -1.542622587e+00 -1.542622587e+00 3.60 -1.506189715e+00 -1.506189715e+00 3.62 -1.470088086e+00 -1.470088086e+00 3.64 -1.434310578e+00 -1.434310578e+00 3.66 -1.398852890e+00 -1.398852890e+00 3.68 -1.363713776e+00 -1.363713776e+00 3.70 -1.328895401e+00 -1.328895401e+00 3.72 -1.294403874e+00 -1.294403874e+00 3.74 -1.260249969e+00 -1.260249969e+00 3.76 -1.226449972e+00 -1.226449972e+00 3.78 -1.193026505e+00 -1.193026505e+00 3.80 -1.160009105e+00 -1.160009105e+00 3.82 -1.127434272e+00 -1.127434272e+00 3.84 -1.095344725e+00 -1.095344725e+00 3.86 -1.063787669e+00 -1.063787669e+00 3.88 -1.032812077e+00 -1.032812077e+00 3.90 -1.002465171e+00 -1.002465171e+00 3.92 -9.727884310e-01 -9.727884310e-01 3.94 -9.438143144e-01 -9.438143144e-01 3.96 -9.155625558e-01 -9.155625558e-01 3.98 -8.880388087e-01 -8.880388087e-01 4.00 -8.612339950e-01 -8.612339950e-01 4.02 -8.351250770e-01 -8.351250770e-01 4.04 -8.096768712e-01 -8.096768712e-01 4.06 -7.848445550e-01 -7.848445550e-01 4.08 -7.605765061e-01 -7.605765061e-01 4.10 -7.368168980e-01 -7.368168980e-01 4.12 -7.135096351e-01 -7.135096351e-01 4.14 -6.905989257e-01 -6.905989257e-01 4.16 -6.680328304e-01 -6.680328304e-01 4.18 -6.457648386e-01 -6.457648386e-01 4.20 -6.237555552e-01 -6.237555552e-01 4.22 -6.019741380e-01 -6.019741380e-01 4.24 -5.803994629e-01 -5.803994629e-01 4.26 -5.590209638e-01 -5.590209638e-01 4.28 -5.378390905e-01 -5.378390905e-01 4.30 -5.168653319e-01 -5.168653319e-01 4.32 -4.961217808e-01 -4.961217808e-01 4.34 -4.756402567e-01 -4.756402567e-01 4.36 -4.554610379e-01 -4.554610379e-01 4.38 -4.356312792e-01 -4.356312792e-01 4.40 -4.162031879e-01 -4.162031879e-01 4.42 -3.972320183e-01 -3.972320183e-01 4.44 -3.787739115e-01 -3.787739115e-01 4.46 -3.608836048e-01 -3.608836048e-01 4.48 -3.436120419e-01 -3.436120419e-01 4.50 -3.270039626e-01 -3.270039626e-01 4.52 -3.110956087e-01 -3.110956087e-01 4.54 -2.959127320e-01 -2.959127320e-01 4.56 -2.814691066e-01 -2.814691066e-01 4.58 -2.677657214e-01 -2.677657214e-01 4.60 -2.547907521e-01 -2.547907521e-01 4.62 -2.425203193e-01 -2.425203193e-01 4.64 -2.309199358e-01 -2.309199358e-01 4.66 -2.199464784e-01 -2.199464784e-01 4.68 -2.095504780e-01 -2.095504780e-01 4.70 -1.996785297e-01 -1.996785297e-01 4.72 -1.902756079e-01 -1.902756079e-01 4.74 -1.812872477e-01 -1.812872477e-01 4.76 -1.726614378e-01 -1.726614378e-01 4.78 -1.643492648e-01 -1.643492648e-01 4.80 -1.563080304e-01 -1.563080304e-01 4.82 -1.485027101e-01 -1.485027101e-01 4.84 -1.409040877e-01 -1.409040877e-01 4.86 -1.334903872e-01 -1.334903872e-01 4.88 -1.262472992e-01 -1.262472992e-01 4.90 -1.191679152e-01 -1.191679152e-01 4.92 -1.122523301e-01 -1.122523301e-01 4.94 -1.055069038e-01 -1.055069038e-01 4.96 -9.894326555e-02 -9.894326555e-02 4.98 -9.257715780e-02 -9.257715780e-02 5.00 -8.642693243e-02 -8.642693243e-02 5.02 -8.051203989e-02 -8.051203989e-02 5.04 -7.485153848e-02 -7.485153848e-02 5.06 -6.946272651e-02 -6.946272651e-02 5.08 -6.435999260e-02 -6.435999260e-02 5.10 -5.955395545e-02 -5.955395545e-02 5.12 -5.505093174e-02 -5.505093174e-02 5.14 -5.085273633e-02 -5.085273633e-02 5.16 -4.695678645e-02 -4.695678645e-02 5.18 -4.335645750e-02 -4.335645750e-02 5.20 -4.004162345e-02 -4.004162345e-02 5.22 -3.699931090e-02 -3.699931090e-02 5.24 -3.421440027e-02 -3.421440027e-02 5.26 -3.167031831e-02 -3.167031831e-02 5.28 -2.934967968e-02 -2.934967968e-02 5.30 -2.723484985e-02 -2.723484985e-02 5.32 -2.530841269e-02 -2.530841269e-02 5.34 -2.355354090e-02 -2.355354090e-02 5.36 -2.195427031e-02 -2.195427031e-02 5.38 -2.049568652e-02 -2.049568652e-02 5.40 -1.916403497e-02 -1.916403497e-02 5.42 -1.794676686e-02 -1.794676686e-02 5.44 -1.683253313e-02 -1.683253313e-02 5.46 -1.581113876e-02 -1.581113876e-02 5.48 -1.487346818e-02 -1.487346818e-02 5.50 -1.401132895e-02 -1.401132895e-02 5.52 -1.321745310e-02 -1.321745310e-02 5.54 -1.248541072e-02 -1.248541072e-02 5.56 -1.180944022e-02 -1.180944022e-02 5.58 -1.118435987e-02 -1.118435987e-02 5.60 -1.060548960e-02 -1.060548960e-02 5.62 -1.006858463e-02 -1.006858463e-02 5.64 -9.569780925e-03 -9.569780925e-03 5.66 -9.105551343e-03 -9.105551343e-03 5.68 -8.672670817e-03 -8.672670817e-03 5.70 -8.268188602e-03 -8.268188602e-03 5.72 -7.889405655e-03 -7.889405655e-03 5.74 -7.533855481e-03 -7.533855481e-03 5.76 -7.199287184e-03 -7.199287184e-03 5.78 -6.883649807e-03 -6.883649807e-03 5.80 -6.585077448e-03 -6.585077448e-03 5.82 -6.301874898e-03 -6.301874898e-03 5.84 -6.032503779e-03 -6.032503779e-03 5.86 -5.775569269e-03 -5.775569269e-03 5.88 -5.529807599e-03 -5.529807599e-03 5.90 -5.294074489e-03 -5.294074489e-03 5.92 -5.067334739e-03 -5.067334739e-03 5.94 -4.848653101e-03 -4.848653101e-03 5.96 -4.637186580e-03 -4.637186580e-03 5.98 -4.432178215e-03 -4.432178215e-03 6.00 -4.232952388e-03 -4.232952388e-03