# 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 = MgTiW2 # 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 4.677880595e+02 4.677880595e+02 1.30 4.326799214e+02 4.326799214e+02 1.32 4.002694564e+02 4.002694564e+02 1.34 3.703291440e+02 3.703291440e+02 1.36 3.426478745e+02 3.426478745e+02 1.38 3.170316740e+02 3.170316740e+02 1.40 2.933049987e+02 2.933049987e+02 1.42 2.713112882e+02 2.713112882e+02 1.44 2.509122636e+02 2.509122636e+02 1.46 2.319859379e+02 2.319859379e+02 1.48 2.144237288e+02 2.144237288e+02 1.50 1.981275635e+02 1.981275635e+02 1.52 1.830077667e+02 1.830077667e+02 1.54 1.689818833e+02 1.689818833e+02 1.56 1.559740797e+02 1.559740797e+02 1.58 1.439145996e+02 1.439145996e+02 1.60 1.327389607e+02 1.327389607e+02 1.62 1.223869847e+02 1.223869847e+02 1.64 1.128019087e+02 1.128019087e+02 1.66 1.039297118e+02 1.039297118e+02 1.68 9.571870937e+01 9.571870937e+01 1.70 8.811947341e+01 8.811947341e+01 1.72 8.108504566e+01 8.108504566e+01 1.74 7.457127264e+01 7.457127264e+01 1.76 6.853703977e+01 6.853703977e+01 1.78 6.294432247e+01 6.294432247e+01 1.80 5.775813662e+01 5.775813662e+01 1.82 5.294651042e+01 5.294651042e+01 1.84 4.848050587e+01 4.848050587e+01 1.86 4.433509235e+01 4.433509235e+01 1.88 4.048771960e+01 4.048771960e+01 1.90 3.691786718e+01 3.691786718e+01 1.92 3.360723694e+01 3.360723694e+01 1.94 3.053883529e+01 3.053883529e+01 1.96 2.769695581e+01 2.769695581e+01 1.98 2.506689190e+01 2.506689190e+01 2.00 2.263466270e+01 2.263466270e+01 2.02 2.038687016e+01 2.038687016e+01 2.04 1.831058525e+01 1.831058525e+01 2.06 1.639327803e+01 1.639327803e+01 2.08 1.462281155e+01 1.462281155e+01 2.10 1.298750478e+01 1.298750478e+01 2.12 1.147624899e+01 1.147624899e+01 2.14 1.007864819e+01 1.007864819e+01 2.16 8.785151065e+00 8.785151065e+00 2.18 7.587139358e+00 7.587139358e+00 2.20 6.476950109e+00 6.476950109e+00 2.22 5.447824694e+00 5.447824694e+00 2.24 4.493804375e+00 4.493804375e+00 2.26 3.609602256e+00 3.609602256e+00 2.28 2.790479357e+00 2.790479357e+00 2.30 2.032143404e+00 2.032143404e+00 2.32 1.330667849e+00 1.330667849e+00 2.34 6.824349723e-01 6.824349723e-01 2.36 8.408977021e-02 8.408977021e-02 2.38 -4.674954580e-01 -4.674954580e-01 2.40 -9.752514732e-01 -9.752514732e-01 2.42 -1.441937525e+00 -1.441937525e+00 2.44 -1.870158685e+00 -1.870158685e+00 2.46 -2.262375748e+00 -2.262375748e+00 2.48 -2.620809962e+00 -2.620809962e+00 2.50 -2.947581799e+00 -2.947581799e+00 2.52 -3.244881205e+00 -3.244881205e+00 2.54 -3.514719066e+00 -3.514719066e+00 2.56 -3.758927902e+00 -3.758927902e+00 2.58 -3.979170168e+00 -3.979170168e+00 2.60 -4.176952266e+00 -4.176952266e+00 2.62 -4.353643734e+00 -4.353643734e+00 2.64 -4.510404645e+00 -4.510404645e+00 2.66 -4.647844828e+00 -4.647844828e+00 2.68 -4.766455971e+00 -4.766455971e+00 2.70 -4.866785728e+00 -4.866785728e+00 2.72 -4.949431818e+00 -4.949431818e+00 2.74 -5.015034928e+00 -5.015034928e+00 2.76 -5.064270541e+00 -5.064270541e+00 2.78 -5.097840712e+00 -5.097840712e+00 2.80 -5.116468275e+00 -5.116468275e+00 2.82 -5.120905787e+00 -5.120905787e+00 2.84 -5.111953922e+00 -5.111953922e+00 2.86 -5.090353173e+00 -5.090353173e+00 2.88 -5.056880366e+00 -5.056880366e+00 2.90 -5.012371214e+00 -5.012371214e+00 2.92 -4.957730896e+00 -4.957730896e+00 2.94 -4.893941681e+00 -4.893941681e+00 2.96 -4.822064594e+00 -4.822064594e+00 2.98 -4.743230423e+00 -4.743230423e+00 3.00 -4.658562121e+00 -4.658562121e+00 3.02 -4.569141772e+00 -4.569141772e+00 3.04 -4.476047862e+00 -4.476047862e+00 3.06 -4.380308713e+00 -4.380308713e+00 3.08 -4.282849832e+00 -4.282849832e+00 3.10 -4.184451741e+00 -4.184451741e+00 3.12 -4.085722248e+00 -4.085722248e+00 3.14 -3.987089368e+00 -3.987089368e+00 3.16 -3.888808359e+00 -3.888808359e+00 3.18 -3.790985979e+00 -3.790985979e+00 3.20 -3.693610642e+00 -3.693610642e+00 3.22 -3.596585868e+00 -3.596585868e+00 3.24 -3.499762880e+00 -3.499762880e+00 3.26 -3.402970194e+00 -3.402970194e+00 3.28 -3.306039201e+00 -3.306039201e+00 3.30 -3.208825580e+00 -3.208825580e+00 3.32 -3.111226738e+00 -3.111226738e+00 3.34 -3.013195644e+00 -3.013195644e+00 3.36 -2.914751306e+00 -2.914751306e+00 3.38 -2.815985932e+00 -2.815985932e+00 3.40 -2.717068416e+00 -2.717068416e+00 3.42 -2.618256501e+00 -2.618256501e+00 3.44 -2.519894637e+00 -2.519894637e+00 3.46 -2.422250099e+00 -2.422250099e+00 3.48 -2.325651230e+00 -2.325651230e+00 3.50 -2.230479903e+00 -2.230479903e+00 3.52 -2.136963509e+00 -2.136963509e+00 3.54 -2.045254259e+00 -2.045254259e+00 3.56 -1.955611756e+00 -1.955611756e+00 3.58 -1.868364107e+00 -1.868364107e+00 3.60 -1.783861964e+00 -1.783861964e+00 3.62 -1.702437860e+00 -1.702437860e+00 3.64 -1.624374582e+00 -1.624374582e+00 3.66 -1.549884479e+00 -1.549884479e+00 3.68 -1.479099748e+00 -1.479099748e+00 3.70 -1.412072192e+00 -1.412072192e+00 3.72 -1.348780070e+00 -1.348780070e+00 3.74 -1.289139417e+00 -1.289139417e+00 3.76 -1.233017435e+00 -1.233017435e+00 3.78 -1.180246102e+00 -1.180246102e+00 3.80 -1.130634703e+00 -1.130634703e+00 3.82 -1.083980574e+00 -1.083980574e+00 3.84 -1.040077718e+00 -1.040077718e+00 3.86 -9.987232955e-01 -9.987232955e-01 3.88 -9.597221820e-01 -9.597221820e-01 3.90 -9.228898773e-01 -9.228898773e-01 3.92 -8.880539807e-01 -8.880539807e-01 3.94 -8.550554633e-01 -8.550554633e-01 3.96 -8.237477441e-01 -8.237477441e-01 3.98 -7.939970012e-01 -7.939970012e-01 4.00 -7.656814046e-01 -7.656814046e-01 4.02 -7.386904189e-01 -7.386904189e-01 4.04 -7.129240537e-01 -7.129240537e-01 4.06 -6.882920935e-01 -6.882920935e-01 4.08 -6.647133212e-01 -6.647133212e-01 4.10 -6.421142776e-01 -6.421142776e-01 4.12 -6.204304648e-01 -6.204304648e-01 4.14 -5.996025052e-01 -5.996025052e-01 4.16 -5.795776298e-01 -5.795776298e-01 4.18 -5.603084281e-01 -5.603084281e-01 4.20 -5.417522300e-01 -5.417522300e-01 4.22 -5.238705365e-01 -5.238705365e-01 4.24 -5.066285033e-01 -5.066285033e-01 4.26 -4.899944763e-01 -4.899944763e-01 4.28 -4.739395772e-01 -4.739395772e-01 4.30 -4.584373392e-01 -4.584373392e-01 4.32 -4.434633876e-01 -4.434633876e-01 4.34 -4.289951621e-01 -4.289951621e-01 4.36 -4.150116779e-01 -4.150116779e-01 4.38 -4.014933191e-01 -4.014933191e-01 4.40 -3.884216628e-01 -3.884216628e-01 4.42 -3.757793275e-01 -3.757793275e-01 4.44 -3.635498436e-01 -3.635498436e-01 4.46 -3.517175419e-01 -3.517175419e-01 4.48 -3.402674578e-01 -3.402674578e-01 4.50 -3.291852481e-01 -3.291852481e-01 4.52 -3.184571190e-01 -3.184571190e-01 4.54 -3.080697632e-01 -3.080697632e-01 4.56 -2.980103055e-01 -2.980103055e-01 4.58 -2.882662555e-01 -2.882662555e-01 4.60 -2.788254679e-01 -2.788254679e-01 4.62 -2.696761096e-01 -2.696761096e-01 4.64 -2.608066347e-01 -2.608066347e-01 4.66 -2.522057678e-01 -2.522057678e-01 4.68 -2.438624973e-01 -2.438624973e-01 4.70 -2.357660799e-01 -2.357660799e-01 4.72 -2.279060586e-01 -2.279060586e-01 4.74 -2.202722963e-01 -2.202722963e-01 4.76 -2.128550263e-01 -2.128550263e-01 4.78 -2.056449225e-01 -2.056449225e-01 4.80 -1.986329465e-01 -1.986329465e-01 4.82 -1.918114674e-01 -1.918114674e-01 4.84 -1.851727911e-01 -1.851727911e-01 4.86 -1.787103922e-01 -1.787103922e-01 4.88 -1.724188019e-01 -1.724188019e-01 4.90 -1.662936993e-01 -1.662936993e-01 4.92 -1.603319919e-01 -1.603319919e-01 4.94 -1.545318534e-01 -1.545318534e-01 4.96 -1.488926806e-01 -1.488926806e-01 4.98 -1.434149768e-01 -1.434149768e-01 5.00 -1.381001432e-01 -1.381001432e-01 5.02 -1.329501836e-01 -1.329501836e-01 5.04 -1.279673415e-01 -1.279673415e-01 5.06 -1.231537007e-01 -1.231537007e-01 5.08 -1.185105708e-01 -1.185105708e-01 5.10 -1.140380420e-01 -1.140380420e-01 5.12 -1.097359277e-01 -1.097359277e-01 5.14 -1.056026367e-01 -1.056026367e-01 5.16 -1.016350519e-01 -1.016350519e-01 5.18 -9.782860606e-02 -9.782860606e-02 5.20 -9.417744884e-02 -9.417744884e-02 5.22 -9.067467902e-02 -9.067467902e-02 5.24 -8.731260813e-02 -8.731260813e-02 5.26 -8.408302826e-02 -8.408302826e-02 5.28 -8.097746206e-02 -8.097746206e-02 5.30 -7.798738036e-02 -7.798738036e-02 5.32 -7.510437990e-02 -7.510437990e-02 5.34 -7.232031930e-02 -7.232031930e-02 5.36 -6.962741550e-02 -6.962741550e-02 5.38 -6.701830553e-02 -6.701830553e-02 5.40 -6.448607961e-02 -6.448607961e-02 5.42 -6.202429254e-02 -6.202429254e-02 5.44 -5.962695998e-02 -5.962695998e-02 5.46 -5.728854663e-02 -5.728854663e-02 5.48 -5.500395276e-02 -5.500395276e-02 5.50 -5.276850531e-02 -5.276850531e-02 5.52 -5.057795903e-02 -5.057795903e-02 5.54 -4.842851225e-02 -4.842851225e-02 5.56 -4.631683990e-02 -4.631683990e-02 5.58 -4.424014455e-02 -4.424014455e-02 5.60 -4.219622346e-02 -4.219622346e-02 5.62 -4.018354683e-02 -4.018354683e-02 5.64 -3.820133969e-02 -3.820133969e-02 5.66 -3.624965738e-02 -3.624965738e-02 5.68 -3.432944304e-02 -3.432944304e-02 5.70 -3.244255437e-02 -3.244255437e-02 5.72 -3.059174923e-02 -3.059174923e-02 5.74 -2.878062069e-02 -2.878062069e-02 5.76 -2.701347679e-02 -2.701347679e-02 5.78 -2.529516586e-02 -2.529516586e-02 5.80 -2.363085429e-02 -2.363085429e-02 5.82 -2.202577006e-02 -2.202577006e-02 5.84 -2.048493006e-02 -2.048493006e-02 5.86 -1.901287278e-02 -1.901287278e-02 5.88 -1.761338617e-02 -1.761338617e-02 5.90 -1.628923563e-02 -1.628923563e-02 5.92 -1.504232911e-02 -1.504232911e-02 5.94 -1.387347536e-02 -1.387347536e-02 5.96 -1.278235697e-02 -1.278235697e-02 5.98 -1.176759612e-02 -1.176759612e-02 6.00 -1.082687101e-02 -1.082687101e-02