# 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 = Fe2PtZr # 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 3.088180249e+02 3.088180249e+02 1.30 2.857612168e+02 2.857612168e+02 1.32 2.643890948e+02 2.643890948e+02 1.34 2.445808047e+02 2.445808047e+02 1.36 2.262293907e+02 2.262293907e+02 1.38 2.092304038e+02 2.092304038e+02 1.40 1.934769915e+02 1.934769915e+02 1.42 1.788630405e+02 1.788630405e+02 1.44 1.652892919e+02 1.652892919e+02 1.46 1.526685153e+02 1.526685153e+02 1.48 1.409275378e+02 1.409275378e+02 1.50 1.300053391e+02 1.300053391e+02 1.52 1.198482102e+02 1.198482102e+02 1.54 1.104049913e+02 1.104049913e+02 1.56 1.016241537e+02 1.016241537e+02 1.58 9.345359057e+01 9.345359057e+01 1.60 8.584209874e+01 8.584209874e+01 1.62 7.874149092e+01 7.874149092e+01 1.64 7.210846255e+01 7.210846255e+01 1.66 6.590598843e+01 6.590598843e+01 1.68 6.010394373e+01 6.010394373e+01 1.70 5.467854758e+01 5.467854758e+01 1.72 4.961089100e+01 4.961089100e+01 1.74 4.488469231e+01 4.488469231e+01 1.76 4.048393214e+01 4.048393214e+01 1.78 3.639131613e+01 3.639131613e+01 1.80 3.258839724e+01 3.258839724e+01 1.82 2.905964207e+01 2.905964207e+01 1.84 2.583322707e+01 2.583322707e+01 1.86 2.289476898e+01 2.289476898e+01 1.88 2.021651259e+01 2.021651259e+01 1.90 1.777324656e+01 1.777324656e+01 1.92 1.554221139e+01 1.554221139e+01 1.94 1.350311698e+01 1.350311698e+01 1.96 1.163799330e+01 1.163799330e+01 1.98 9.931004262e+00 9.931004262e+00 2.00 8.368218546e+00 8.368218546e+00 2.02 6.937355420e+00 6.937355420e+00 2.04 5.627537767e+00 5.627537767e+00 2.06 4.429068254e+00 4.429068254e+00 2.08 3.333247397e+00 3.333247397e+00 2.10 2.332181646e+00 2.332181646e+00 2.12 1.418660855e+00 1.418660855e+00 2.14 5.860409034e-01 5.860409034e-01 2.16 -1.718179853e-01 -1.718179853e-01 2.18 -8.605933305e-01 -8.605933305e-01 2.20 -1.485526205e+00 -1.485526205e+00 2.22 -2.051460454e+00 -2.051460454e+00 2.24 -2.562871996e+00 -2.562871996e+00 2.26 -3.023888835e+00 -3.023888835e+00 2.28 -3.438295698e+00 -3.438295698e+00 2.30 -3.809546833e+00 -3.809546833e+00 2.32 -4.140794158e+00 -4.140794158e+00 2.34 -4.434902944e+00 -4.434902944e+00 2.36 -4.694515169e+00 -4.694515169e+00 2.38 -4.922096351e+00 -4.922096351e+00 2.40 -5.119984456e+00 -5.119984456e+00 2.42 -5.290436820e+00 -5.290436820e+00 2.44 -5.435660660e+00 -5.435660660e+00 2.46 -5.557839778e+00 -5.557839778e+00 2.48 -5.659141004e+00 -5.659141004e+00 2.50 -5.741720856e+00 -5.741720856e+00 2.52 -5.807719056e+00 -5.807719056e+00 2.54 -5.859038457e+00 -5.859038457e+00 2.56 -5.898143696e+00 -5.898143696e+00 2.58 -5.927400319e+00 -5.927400319e+00 2.60 -5.947730147e+00 -5.947730147e+00 2.62 -5.959888396e+00 -5.959888396e+00 2.64 -5.964488829e+00 -5.964488829e+00 2.66 -5.961956680e+00 -5.961956680e+00 2.68 -5.952493317e+00 -5.952493317e+00 2.70 -5.936255489e+00 -5.936255489e+00 2.72 -5.913398919e+00 -5.913398919e+00 2.74 -5.884085155e+00 -5.884085155e+00 2.76 -5.848483009e+00 -5.848483009e+00 2.78 -5.806764984e+00 -5.806764984e+00 2.80 -5.759112711e+00 -5.759112711e+00 2.82 -5.705704307e+00 -5.705704307e+00 2.84 -5.646726637e+00 -5.646726637e+00 2.86 -5.582380475e+00 -5.582380475e+00 2.88 -5.512891475e+00 -5.512891475e+00 2.90 -5.438522611e+00 -5.438522611e+00 2.92 -5.359587775e+00 -5.359587775e+00 2.94 -5.276457352e+00 -5.276457352e+00 2.96 -5.189545264e+00 -5.189545264e+00 2.98 -5.099310257e+00 -5.099310257e+00 3.00 -5.006236079e+00 -5.006236079e+00 3.02 -4.910805390e+00 -4.910805390e+00 3.04 -4.813470569e+00 -4.813470569e+00 3.06 -4.714648039e+00 -4.714648039e+00 3.08 -4.614686296e+00 -4.614686296e+00 3.10 -4.513883424e+00 -4.513883424e+00 3.12 -4.412439000e+00 -4.412439000e+00 3.14 -4.310436887e+00 -4.310436887e+00 3.16 -4.207962163e+00 -4.207962163e+00 3.18 -4.105134675e+00 -4.105134675e+00 3.20 -4.002113573e+00 -4.002113573e+00 3.22 -3.899100592e+00 -3.899100592e+00 3.24 -3.796339677e+00 -3.796339677e+00 3.26 -3.694148809e+00 -3.694148809e+00 3.28 -3.593016034e+00 -3.593016034e+00 3.30 -3.493435586e+00 -3.493435586e+00 3.32 -3.395848277e+00 -3.395848277e+00 3.34 -3.300631473e+00 -3.300631473e+00 3.36 -3.208089313e+00 -3.208089313e+00 3.38 -3.118445691e+00 -3.118445691e+00 3.40 -3.031840833e+00 -3.031840833e+00 3.42 -2.948339428e+00 -2.948339428e+00 3.44 -2.867931247e+00 -2.867931247e+00 3.46 -2.790548578e+00 -2.790548578e+00 3.48 -2.716078383e+00 -2.716078383e+00 3.50 -2.644375905e+00 -2.644375905e+00 3.52 -2.575276949e+00 -2.575276949e+00 3.54 -2.508608109e+00 -2.508608109e+00 3.56 -2.444194700e+00 -2.444194700e+00 3.58 -2.381866490e+00 -2.381866490e+00 3.60 -2.321461534e+00 -2.321461534e+00 3.62 -2.262828502e+00 -2.262828502e+00 3.64 -2.205827889e+00 -2.205827889e+00 3.66 -2.150332487e+00 -2.150332487e+00 3.68 -2.096227439e+00 -2.096227439e+00 3.70 -2.043410107e+00 -2.043410107e+00 3.72 -1.991789961e+00 -1.991789961e+00 3.74 -1.941288563e+00 -1.941288563e+00 3.76 -1.891839672e+00 -1.891839672e+00 3.78 -1.843389368e+00 -1.843389368e+00 3.80 -1.795896022e+00 -1.795896022e+00 3.82 -1.749329843e+00 -1.749329843e+00 3.84 -1.703671756e+00 -1.703671756e+00 3.86 -1.658911414e+00 -1.658911414e+00 3.88 -1.615044330e+00 -1.615044330e+00 3.90 -1.572068379e+00 -1.572068379e+00 3.92 -1.529979231e+00 -1.529979231e+00 3.94 -1.488770856e+00 -1.488770856e+00 3.96 -1.448427391e+00 -1.448427391e+00 3.98 -1.408926592e+00 -1.408926592e+00 4.00 -1.370239497e+00 -1.370239497e+00 4.02 -1.332332568e+00 -1.332332568e+00 4.04 -1.295170800e+00 -1.295170800e+00 4.06 -1.258721278e+00 -1.258721278e+00 4.08 -1.222956679e+00 -1.222956679e+00 4.10 -1.187854033e+00 -1.187854033e+00 4.12 -1.153414713e+00 -1.153414713e+00 4.14 -1.119637459e+00 -1.119637459e+00 4.16 -1.086538001e+00 -1.086538001e+00 4.18 -1.054142420e+00 -1.054142420e+00 4.20 -1.022484607e+00 -1.022484607e+00 4.22 -9.916028081e-01 -9.916028081e-01 4.24 -9.615356521e-01 -9.615356521e-01 4.26 -9.323181023e-01 -9.323181023e-01 4.28 -9.039778216e-01 -9.039778216e-01 4.30 -8.765323378e-01 -8.765323378e-01 4.32 -8.499872697e-01 -8.499872697e-01 4.34 -8.243356911e-01 -8.243356911e-01 4.36 -7.995585455e-01 -7.995585455e-01 4.38 -7.756258966e-01 -7.756258966e-01 4.40 -7.524987329e-01 -7.524987329e-01 4.42 -7.301310424e-01 -7.301310424e-01 4.44 -7.084719120e-01 -7.084719120e-01 4.46 -6.874674746e-01 -6.874674746e-01 4.48 -6.670626000e-01 -6.670626000e-01 4.50 -6.472022949e-01 -6.472022949e-01 4.52 -6.278327778e-01 -6.278327778e-01 4.54 -6.089021763e-01 -6.089021763e-01 4.56 -5.903619684e-01 -5.903619684e-01 4.58 -5.721670540e-01 -5.721670540e-01 4.60 -5.542762701e-01 -5.542762701e-01 4.62 -5.366530268e-01 -5.366530268e-01 4.64 -5.192659575e-01 -5.192659575e-01 4.66 -5.020896014e-01 -5.020896014e-01 4.68 -4.851051086e-01 -4.851051086e-01 4.70 -4.683009303e-01 -4.683009303e-01 4.72 -4.516734289e-01 -4.516734289e-01 4.74 -4.352273244e-01 -4.352273244e-01 4.76 -4.189758796e-01 -4.189758796e-01 4.78 -4.029407266e-01 -4.029407266e-01 4.80 -3.871480768e-01 -3.871480768e-01 4.82 -3.716408794e-01 -3.716408794e-01 4.84 -3.564564628e-01 -3.564564628e-01 4.86 -3.416390910e-01 -3.416390910e-01 4.88 -3.272338604e-01 -3.272338604e-01 4.90 -3.132843162e-01 -3.132843162e-01 4.92 -2.998301588e-01 -2.998301588e-01 4.94 -2.869052315e-01 -2.869052315e-01 4.96 -2.745359574e-01 -2.745359574e-01 4.98 -2.627403303e-01 -2.627403303e-01 5.00 -2.515274997e-01 -2.515274997e-01 5.02 -2.408979229e-01 -2.408979229e-01 5.04 -2.308440001e-01 -2.308440001e-01 5.06 -2.213510734e-01 -2.213510734e-01 5.08 -2.123986559e-01 -2.123986559e-01 5.10 -2.039617624e-01 -2.039617624e-01 5.12 -1.960122292e-01 -1.960122292e-01 5.14 -1.885199414e-01 -1.885199414e-01 5.16 -1.814539099e-01 -1.814539099e-01 5.18 -1.747831710e-01 -1.747831710e-01 5.20 -1.684774995e-01 -1.684774995e-01 5.22 -1.625079456e-01 -1.625079456e-01 5.24 -1.568472120e-01 -1.568472120e-01 5.26 -1.514698963e-01 -1.514698963e-01 5.28 -1.463526231e-01 -1.463526231e-01 5.30 -1.414740895e-01 -1.414740895e-01 5.32 -1.368150447e-01 -1.368150447e-01 5.34 -1.323582206e-01 -1.323582206e-01 5.36 -1.280882281e-01 -1.280882281e-01 5.38 -1.239914280e-01 -1.239914280e-01 5.40 -1.200557837e-01 -1.200557837e-01 5.42 -1.162707033e-01 -1.162707033e-01 5.44 -1.126268727e-01 -1.126268727e-01 5.46 -1.091160835e-01 -1.091160835e-01 5.48 -1.057310681e-01 -1.057310681e-01 5.50 -1.024653349e-01 -1.024653349e-01 5.52 -9.931301102e-02 -9.931301102e-02 5.54 -9.626870148e-02 -9.626870148e-02 5.56 -9.332736668e-02 -9.332736668e-02 5.58 -9.048422067e-02 -9.048422067e-02 5.60 -8.773498725e-02 -8.773498725e-02 5.62 -8.507533479e-02 -8.507533479e-02 5.64 -8.250051949e-02 -8.250051949e-02 5.66 -8.000596393e-02 -8.000596393e-02 5.68 -7.758722483e-02 -7.758722483e-02 5.70 -7.523996826e-02 -7.523996826e-02 5.72 -7.295995245e-02 -7.295995245e-02 5.74 -7.074301669e-02 -7.074301669e-02 5.76 -6.858507440e-02 -6.858507440e-02 5.78 -6.648210908e-02 -6.648210908e-02 5.80 -6.443017199e-02 -6.443017199e-02 5.82 -6.242538099e-02 -6.242538099e-02 5.84 -6.046392044e-02 -6.046392044e-02 5.86 -5.854204243e-02 -5.854204243e-02 5.88 -5.665607008e-02 -5.665607008e-02 5.90 -5.480240370e-02 -5.480240370e-02 5.92 -5.297753092e-02 -5.297753092e-02 5.94 -5.117804184e-02 -5.117804184e-02 5.96 -4.940065046e-02 -4.940065046e-02 5.98 -4.764222317e-02 -4.764222317e-02 6.00 -4.589981548e-02 -4.589981548e-02