# 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 = FeTi2W # 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 2.937430472e+02 2.937430472e+02 1.30 2.705213585e+02 2.705213585e+02 1.32 2.491314438e+02 2.491314438e+02 1.34 2.294139191e+02 2.294139191e+02 1.36 2.112237100e+02 2.112237100e+02 1.38 1.944302594e+02 1.944302594e+02 1.40 1.789168091e+02 1.789168091e+02 1.42 1.645791804e+02 1.645791804e+02 1.44 1.513247001e+02 1.513247001e+02 1.46 1.390710546e+02 1.390710546e+02 1.48 1.277445146e+02 1.277445146e+02 1.50 1.172778187e+02 1.172778187e+02 1.52 1.076085055e+02 1.076085055e+02 1.54 9.867809606e+01 9.867809606e+01 1.56 9.043198976e+01 9.043198976e+01 1.58 8.281957225e+01 8.281957225e+01 1.60 7.579408620e+01 7.579408620e+01 1.62 6.931221584e+01 6.931221584e+01 1.64 6.333356239e+01 6.333356239e+01 1.66 5.782011372e+01 5.782011372e+01 1.68 5.273580490e+01 5.273580490e+01 1.70 4.804635206e+01 4.804635206e+01 1.72 4.371945521e+01 4.371945521e+01 1.74 3.972520446e+01 3.972520446e+01 1.76 3.603635783e+01 3.603635783e+01 1.78 3.262831447e+01 3.262831447e+01 1.80 2.947888769e+01 2.947888769e+01 1.82 2.656823227e+01 2.656823227e+01 1.84 2.387884922e+01 2.387884922e+01 1.86 2.139467704e+01 2.139467704e+01 1.88 1.910137273e+01 1.910137273e+01 1.90 1.698557027e+01 1.698557027e+01 1.92 1.503493237e+01 1.503493237e+01 1.94 1.323788007e+01 1.323788007e+01 1.96 1.158346265e+01 1.158346265e+01 1.98 1.006132443e+01 1.006132443e+01 2.00 8.661698309e+00 8.661698309e+00 2.02 7.375368529e+00 7.375368529e+00 2.04 6.193608533e+00 6.193608533e+00 2.06 5.108138445e+00 5.108138445e+00 2.08 4.111131781e+00 4.111131781e+00 2.10 3.195261820e+00 3.195261820e+00 2.12 2.353754205e+00 2.353754205e+00 2.14 1.580418197e+00 1.580418197e+00 2.16 8.696497948e-01 8.696497948e-01 2.18 2.164096528e-01 2.164096528e-01 2.20 -3.838207098e-01 -3.838207098e-01 2.22 -9.351020107e-01 -9.351020107e-01 2.24 -1.441109900e+00 -1.441109900e+00 2.26 -1.905202209e+00 -1.905202209e+00 2.28 -2.330467286e+00 -2.330467286e+00 2.30 -2.719747733e+00 -2.719747733e+00 2.32 -3.075646321e+00 -3.075646321e+00 2.34 -3.400521963e+00 -3.400521963e+00 2.36 -3.696490615e+00 -3.696490615e+00 2.38 -3.965439360e+00 -3.965439360e+00 2.40 -4.209057368e+00 -4.209057368e+00 2.42 -4.428877782e+00 -4.428877782e+00 2.44 -4.626262366e+00 -4.626262366e+00 2.46 -4.802542291e+00 -4.802542291e+00 2.48 -4.959085404e+00 -4.959085404e+00 2.50 -5.097204044e+00 -5.097204044e+00 2.52 -5.218162715e+00 -5.218162715e+00 2.54 -5.323177784e+00 -5.323177784e+00 2.56 -5.413411993e+00 -5.413411993e+00 2.58 -5.489967243e+00 -5.489967243e+00 2.60 -5.553846277e+00 -5.553846277e+00 2.62 -5.605782507e+00 -5.605782507e+00 2.64 -5.646404027e+00 -5.646404027e+00 2.66 -5.676324371e+00 -5.676324371e+00 2.68 -5.696138501e+00 -5.696138501e+00 2.70 -5.706420993e+00 -5.706420993e+00 2.72 -5.707726788e+00 -5.707726788e+00 2.74 -5.700685966e+00 -5.700685966e+00 2.76 -5.685796477e+00 -5.685796477e+00 2.78 -5.663458663e+00 -5.663458663e+00 2.80 -5.634092464e+00 -5.634092464e+00 2.82 -5.598136341e+00 -5.598136341e+00 2.84 -5.556046634e+00 -5.556046634e+00 2.86 -5.508295915e+00 -5.508295915e+00 2.88 -5.455369321e+00 -5.455369321e+00 2.90 -5.397668741e+00 -5.397668741e+00 2.92 -5.335428336e+00 -5.335428336e+00 2.94 -5.268910279e+00 -5.268910279e+00 2.96 -5.198422709e+00 -5.198422709e+00 2.98 -5.124307408e+00 -5.124307408e+00 3.00 -5.046927718e+00 -5.046927718e+00 3.02 -4.966618529e+00 -4.966618529e+00 3.04 -4.883479897e+00 -4.883479897e+00 3.06 -4.797570302e+00 -4.797570302e+00 3.08 -4.709003372e+00 -4.709003372e+00 3.10 -4.617921591e+00 -4.617921591e+00 3.12 -4.524472970e+00 -4.524472970e+00 3.14 -4.428796274e+00 -4.428796274e+00 3.16 -4.331014671e+00 -4.331014671e+00 3.18 -4.231238335e+00 -4.231238335e+00 3.20 -4.129571657e+00 -4.129571657e+00 3.22 -4.026122762e+00 -4.026122762e+00 3.24 -3.921012957e+00 -3.921012957e+00 3.26 -3.814384806e+00 -3.814384806e+00 3.28 -3.706408244e+00 -3.706408244e+00 3.30 -3.597284657e+00 -3.597284657e+00 3.32 -3.487249127e+00 -3.487249127e+00 3.34 -3.376571111e+00 -3.376571111e+00 3.36 -3.265553786e+00 -3.265553786e+00 3.38 -3.154532225e+00 -3.154532225e+00 3.40 -3.043870333e+00 -3.043870333e+00 3.42 -2.933956621e+00 -2.933956621e+00 3.44 -2.825198195e+00 -2.825198195e+00 3.46 -2.718013411e+00 -2.718013411e+00 3.48 -2.612822658e+00 -2.612822658e+00 3.50 -2.510037549e+00 -2.510037549e+00 3.52 -2.410048720e+00 -2.410048720e+00 3.54 -2.313212713e+00 -2.313212713e+00 3.56 -2.219838769e+00 -2.219838769e+00 3.58 -2.130176680e+00 -2.130176680e+00 3.60 -2.044407188e+00 -2.044407188e+00 3.62 -1.962636358e+00 -1.962636358e+00 3.64 -1.884894933e+00 -1.884894933e+00 3.66 -1.811142889e+00 -1.811142889e+00 3.68 -1.741278462e+00 -1.741278462e+00 3.70 -1.675150218e+00 -1.675150218e+00 3.72 -1.612570469e+00 -1.612570469e+00 3.74 -1.553328406e+00 -1.553328406e+00 3.76 -1.497201813e+00 -1.497201813e+00 3.78 -1.443966675e+00 -1.443966675e+00 3.80 -1.393404489e+00 -1.393404489e+00 3.82 -1.345307383e+00 -1.345307383e+00 3.84 -1.299481347e+00 -1.299481347e+00 3.86 -1.255747953e+00 -1.255747953e+00 3.88 -1.213944918e+00 -1.213944918e+00 3.90 -1.173925860e+00 -1.173925860e+00 3.92 -1.135559465e+00 -1.135559465e+00 3.94 -1.098728586e+00 -1.098728586e+00 3.96 -1.063328631e+00 -1.063328631e+00 3.98 -1.029266476e+00 -1.029266476e+00 4.00 -9.964591112e-01 -9.964591112e-01 4.02 -9.648324157e-01 -9.648324157e-01 4.04 -9.343200433e-01 -9.343200433e-01 4.06 -9.048624172e-01 -9.048624172e-01 4.08 -8.764058422e-01 -8.764058422e-01 4.10 -8.489015700e-01 -8.489015700e-01 4.12 -8.223057724e-01 -8.223057724e-01 4.14 -7.965779296e-01 -7.965779296e-01 4.16 -7.716810469e-01 -7.716810469e-01 4.18 -7.475810275e-01 -7.475810275e-01 4.20 -7.242462996e-01 -7.242462996e-01 4.22 -7.016474947e-01 -7.016474947e-01 4.24 -6.797571715e-01 -6.797571715e-01 4.26 -6.585495788e-01 -6.585495788e-01 4.28 -6.380004501e-01 -6.380004501e-01 4.30 -6.180868270e-01 -6.180868270e-01 4.32 -5.987869057e-01 -5.987869057e-01 4.34 -5.800799032e-01 -5.800799032e-01 4.36 -5.619459411e-01 -5.619459411e-01 4.38 -5.443659427e-01 -5.443659427e-01 4.40 -5.273215433e-01 -5.273215433e-01 4.42 -5.107950089e-01 -5.107950089e-01 4.44 -4.947691652e-01 -4.947691652e-01 4.46 -4.792273324e-01 -4.792273324e-01 4.48 -4.641532670e-01 -4.641532670e-01 4.50 -4.495311089e-01 -4.495311089e-01 4.52 -4.353453330e-01 -4.353453330e-01 4.54 -4.215807058e-01 -4.215807058e-01 4.56 -4.082222470e-01 -4.082222470e-01 4.58 -3.952551961e-01 -3.952551961e-01 4.60 -3.826649848e-01 -3.826649848e-01 4.62 -3.704372175e-01 -3.704372175e-01 4.64 -3.585576598e-01 -3.585576598e-01 4.66 -3.470122403e-01 -3.470122403e-01 4.68 -3.357870646e-01 -3.357870646e-01 4.70 -3.248684495e-01 -3.248684495e-01 4.72 -3.142429771e-01 -3.142429771e-01 4.74 -3.038975757e-01 -3.038975757e-01 4.76 -2.938196301e-01 -2.938196301e-01 4.78 -2.839971244e-01 -2.839971244e-01 4.80 -2.744187352e-01 -2.744187352e-01 4.82 -2.650743868e-01 -2.650743868e-01 4.84 -2.559549413e-01 -2.559549413e-01 4.86 -2.470528278e-01 -2.470528278e-01 4.88 -2.383621857e-01 -2.383621857e-01 4.90 -2.298790800e-01 -2.298790800e-01 4.92 -2.216016562e-01 -2.216016562e-01 4.94 -2.135302001e-01 -2.135302001e-01 4.96 -2.056670698e-01 -2.056670698e-01 4.98 -1.980164766e-01 -1.980164766e-01 5.00 -1.905841030e-01 -1.905841030e-01 5.02 -1.833765687e-01 -1.833765687e-01 5.04 -1.764007796e-01 -1.764007796e-01 5.06 -1.696632129e-01 -1.696632129e-01 5.08 -1.631690922e-01 -1.631690922e-01 5.10 -1.569217165e-01 -1.569217165e-01 5.12 -1.509226305e-01 -1.509226305e-01 5.14 -1.451708148e-01 -1.451708148e-01 5.16 -1.396625600e-01 -1.396625600e-01 5.18 -1.343915779e-01 -1.343915779e-01 5.20 -1.293492708e-01 -1.293492708e-01 5.22 -1.245251115e-01 -1.245251115e-01 5.24 -1.199070785e-01 -1.199070785e-01 5.26 -1.154821005e-01 -1.154821005e-01 5.28 -1.112364718e-01 -1.112364718e-01 5.30 -1.071562145e-01 -1.071562145e-01 5.32 -1.032273740e-01 -1.032273740e-01 5.34 -9.943624694e-02 -9.943624694e-02 5.36 -9.576954649e-02 -9.576954649e-02 5.38 -9.221451472e-02 -9.221451472e-02 5.40 -8.875899538e-02 -8.875899538e-02 5.42 -8.539147978e-02 -8.539147978e-02 5.44 -8.210113821e-02 -8.210113821e-02 5.46 -7.887784819e-02 -7.887784819e-02 5.48 -7.571222896e-02 -7.571222896e-02 5.50 -7.259568963e-02 -7.259568963e-02 5.52 -6.952049649e-02 -6.952049649e-02 5.54 -6.647986249e-02 -6.647986249e-02 5.56 -6.346805948e-02 -6.346805948e-02 5.58 -6.048055089e-02 -6.048055089e-02 5.60 -5.751413915e-02 -5.751413915e-02 5.62 -5.456711874e-02 -5.456711874e-02 5.64 -5.163942194e-02 -5.163942194e-02 5.66 -4.873274120e-02 -4.873274120e-02 5.68 -4.585060924e-02 -4.585060924e-02 5.70 -4.299841740e-02 -4.299841740e-02 5.72 -4.018335353e-02 -4.018335353e-02 5.74 -3.741424519e-02 -3.741424519e-02 5.76 -3.470130052e-02 -3.470130052e-02 5.78 -3.205574966e-02 -3.205574966e-02 5.80 -2.948939756e-02 -2.948939756e-02 5.82 -2.701411664e-02 -2.701411664e-02 5.84 -2.464131224e-02 -2.464131224e-02 5.86 -2.238140038e-02 -2.238140038e-02 5.88 -2.024333917e-02 -2.024333917e-02 5.90 -1.823425020e-02 -1.823425020e-02 5.92 -1.635902564e-02 -1.635902564e-02 5.94 -1.462015140e-02 -1.462015140e-02 5.96 -1.301841090e-02 -1.301841090e-02 5.98 -1.155243653e-02 -1.155243653e-02 6.00 -1.021889266e-02 -1.021889266e-02