# 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 = Fe2PdTi # 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 2.481412608e+02 2.481412608e+02 1.30 2.280667587e+02 2.280667587e+02 1.32 2.095835550e+02 2.095835550e+02 1.34 1.925580272e+02 1.925580272e+02 1.36 1.768695144e+02 1.768695144e+02 1.38 1.624078596e+02 1.624078596e+02 1.40 1.490719811e+02 1.490719811e+02 1.42 1.367695421e+02 1.367695421e+02 1.44 1.254172300e+02 1.254172300e+02 1.46 1.149407615e+02 1.149407615e+02 1.48 1.052739011e+02 1.052739011e+02 1.50 9.635664613e+01 9.635664613e+01 1.52 8.813331977e+01 8.813331977e+01 1.54 8.055117294e+01 8.055117294e+01 1.56 7.355971146e+01 7.355971146e+01 1.58 6.711071228e+01 6.711071228e+01 1.60 6.115871446e+01 6.115871446e+01 1.62 5.566170125e+01 5.566170125e+01 1.64 5.058169495e+01 5.058169495e+01 1.66 4.588501575e+01 4.588501575e+01 1.68 4.154207659e+01 4.154207659e+01 1.70 3.752688731e+01 3.752688731e+01 1.72 3.382805124e+01 3.382805124e+01 1.74 3.043339118e+01 3.043339118e+01 1.76 2.731975333e+01 2.731975333e+01 1.78 2.446528552e+01 2.446528552e+01 1.80 2.184942918e+01 2.184942918e+01 1.82 1.945295261e+01 1.945295261e+01 1.84 1.725797655e+01 1.725797655e+01 1.86 1.524796340e+01 1.524796340e+01 1.88 1.340766619e+01 1.340766619e+01 1.90 1.172305135e+01 1.172305135e+01 1.92 1.018120847e+01 1.018120847e+01 1.94 8.770261101e+00 8.770261101e+00 1.96 7.479287384e+00 7.479287384e+00 1.98 6.298250829e+00 6.298250829e+00 2.00 5.217933185e+00 5.217933185e+00 2.02 4.229870378e+00 4.229870378e+00 2.04 3.326305343e+00 3.326305343e+00 2.06 2.500167117e+00 2.500167117e+00 2.08 1.745066596e+00 1.745066596e+00 2.10 1.055284545e+00 1.055284545e+00 2.12 4.257306510e-01 4.257306510e-01 2.14 -1.481308996e-01 -1.481308996e-01 2.16 -6.703748288e-01 -6.703748288e-01 2.18 -1.144707637e+00 -1.144707637e+00 2.20 -1.574546278e+00 -1.574546278e+00 2.22 -1.963078905e+00 -1.963078905e+00 2.24 -2.313308359e+00 -2.313308359e+00 2.26 -2.628079781e+00 -2.628079781e+00 2.28 -2.910092804e+00 -2.910092804e+00 2.30 -3.161899576e+00 -3.161899576e+00 2.32 -3.385893933e+00 -3.385893933e+00 2.34 -3.584298492e+00 -3.584298492e+00 2.36 -3.759159101e+00 -3.759159101e+00 2.38 -3.912351042e+00 -3.912351042e+00 2.40 -4.045597107e+00 -4.045597107e+00 2.42 -4.160492535e+00 -4.160492535e+00 2.44 -4.258530172e+00 -4.258530172e+00 2.46 -4.341167614e+00 -4.341167614e+00 2.48 -4.409746565e+00 -4.409746565e+00 2.50 -4.465459793e+00 -4.465459793e+00 2.52 -4.509448514e+00 -4.509448514e+00 2.54 -4.542784695e+00 -4.542784695e+00 2.56 -4.566454125e+00 -4.566454125e+00 2.58 -4.581346232e+00 -4.581346232e+00 2.60 -4.588419139e+00 -4.588419139e+00 2.62 -4.588435913e+00 -4.588435913e+00 2.64 -4.581652837e+00 -4.581652837e+00 2.66 -4.568339573e+00 -4.568339573e+00 2.68 -4.548786724e+00 -4.548786724e+00 2.70 -4.523279791e+00 -4.523279791e+00 2.72 -4.492111087e+00 -4.492111087e+00 2.74 -4.455582329e+00 -4.455582329e+00 2.76 -4.414042721e+00 -4.414042721e+00 2.78 -4.367869113e+00 -4.367869113e+00 2.80 -4.317429550e+00 -4.317429550e+00 2.82 -4.263045561e+00 -4.263045561e+00 2.84 -4.204788072e+00 -4.204788072e+00 2.86 -4.142698925e+00 -4.142698925e+00 2.88 -4.076908933e+00 -4.076908933e+00 2.90 -4.007628066e+00 -4.007628066e+00 2.92 -3.935129834e+00 -3.935129834e+00 2.94 -3.859731415e+00 -3.859731415e+00 2.96 -3.781772282e+00 -3.781772282e+00 2.98 -3.701594723e+00 -3.701594723e+00 3.00 -3.619528868e+00 -3.619528868e+00 3.02 -3.535883071e+00 -3.535883071e+00 3.04 -3.450938803e+00 -3.450938803e+00 3.06 -3.364948894e+00 -3.364948894e+00 3.08 -3.278137498e+00 -3.278137498e+00 3.10 -3.190702898e+00 -3.190702898e+00 3.12 -3.102822866e+00 -3.102822866e+00 3.14 -3.014663309e+00 -3.014663309e+00 3.16 -2.926388661e+00 -2.926388661e+00 3.18 -2.838173181e+00 -2.838173181e+00 3.20 -2.750210426e+00 -2.750210426e+00 3.22 -2.662719403e+00 -2.662719403e+00 3.24 -2.575946190e+00 -2.575946190e+00 3.26 -2.490160598e+00 -2.490160598e+00 3.28 -2.405648207e+00 -2.405648207e+00 3.30 -2.322698736e+00 -2.322698736e+00 3.32 -2.241592275e+00 -2.241592275e+00 3.34 -2.162585190e+00 -2.162585190e+00 3.36 -2.085897554e+00 -2.085897554e+00 3.38 -2.011703693e+00 -2.011703693e+00 3.40 -1.940126855e+00 -1.940126855e+00 3.42 -1.871238504e+00 -1.871238504e+00 3.44 -1.805061617e+00 -1.805061617e+00 3.46 -1.741577483e+00 -1.741577483e+00 3.48 -1.680734427e+00 -1.680734427e+00 3.50 -1.622457157e+00 -1.622457157e+00 3.52 -1.566655383e+00 -1.566655383e+00 3.54 -1.513230663e+00 -1.513230663e+00 3.56 -1.462080948e+00 -1.462080948e+00 3.58 -1.413102852e+00 -1.413102852e+00 3.60 -1.366192180e+00 -1.366192180e+00 3.62 -1.321243585e+00 -1.321243585e+00 3.64 -1.278150209e+00 -1.278150209e+00 3.66 -1.236803909e+00 -1.236803909e+00 3.68 -1.197096261e+00 -1.197096261e+00 3.70 -1.158920168e+00 -1.158920168e+00 3.72 -1.122171736e+00 -1.122171736e+00 3.74 -1.086752010e+00 -1.086752010e+00 3.76 -1.052568333e+00 -1.052568333e+00 3.78 -1.019535183e+00 -1.019535183e+00 3.80 -9.875745189e-01 -9.875745189e-01 3.82 -9.566157211e-01 -9.566157211e-01 3.84 -9.265952554e-01 -9.265952554e-01 3.86 -8.974561908e-01 -8.974561908e-01 3.88 -8.691476791e-01 -8.691476791e-01 3.90 -8.416244783e-01 -8.416244783e-01 3.92 -8.148465528e-01 -8.148465528e-01 3.94 -7.887789099e-01 -7.887789099e-01 3.96 -7.633913318e-01 -7.633913318e-01 3.98 -7.386584553e-01 -7.386584553e-01 4.00 -7.145597863e-01 -7.145597863e-01 4.02 -6.910797369e-01 -6.910797369e-01 4.04 -6.682075813e-01 -6.682075813e-01 4.06 -6.459372443e-01 -6.459372443e-01 4.08 -6.242668497e-01 -6.242668497e-01 4.10 -6.031979039e-01 -6.031979039e-01 4.12 -5.827345713e-01 -5.827345713e-01 4.14 -5.628819012e-01 -5.628819012e-01 4.16 -5.436447488e-01 -5.436447488e-01 4.18 -5.250262581e-01 -5.250262581e-01 4.20 -5.070265935e-01 -5.070265935e-01 4.22 -4.896419683e-01 -4.896419683e-01 4.24 -4.728640618e-01 -4.728640618e-01 4.26 -4.566798582e-01 -4.566798582e-01 4.28 -4.410718759e-01 -4.410718759e-01 4.30 -4.260187102e-01 -4.260187102e-01 4.32 -4.114957539e-01 -4.114957539e-01 4.34 -3.974757985e-01 -3.974757985e-01 4.36 -3.839305970e-01 -3.839305970e-01 4.38 -3.708311988e-01 -3.708311988e-01 4.40 -3.581484881e-01 -3.581484881e-01 4.42 -3.458537799e-01 -3.458537799e-01 4.44 -3.339192845e-01 -3.339192845e-01 4.46 -3.223184670e-01 -3.223184670e-01 4.48 -3.110263324e-01 -3.110263324e-01 4.50 -3.000196649e-01 -3.000196649e-01 4.52 -2.892772491e-01 -2.892772491e-01 4.54 -2.787800919e-01 -2.787800919e-01 4.56 -2.685116537e-01 -2.685116537e-01 4.58 -2.584580930e-01 -2.584580930e-01 4.60 -2.486085111e-01 -2.486085111e-01 4.62 -2.389551798e-01 -2.389551798e-01 4.64 -2.294937221e-01 -2.294937221e-01 4.66 -2.202232103e-01 -2.202232103e-01 4.68 -2.111461442e-01 -2.111461442e-01 4.70 -2.022682752e-01 -2.022682752e-01 4.72 -1.935982517e-01 -1.935982517e-01 4.74 -1.851470800e-01 -1.851470800e-01 4.76 -1.769274171e-01 -1.769274171e-01 4.78 -1.689527351e-01 -1.689527351e-01 4.80 -1.612363805e-01 -1.612363805e-01 4.82 -1.537908626e-01 -1.537908626e-01 4.84 -1.466267891e-01 -1.466267891e-01 4.86 -1.397524364e-01 -1.397524364e-01 4.88 -1.331732937e-01 -1.331732937e-01 4.90 -1.268918968e-01 -1.268918968e-01 4.92 -1.209078872e-01 -1.209078872e-01 4.94 -1.152182571e-01 -1.152182571e-01 4.96 -1.098177243e-01 -1.098177243e-01 4.98 -1.046991613e-01 -1.046991613e-01 5.00 -9.985402396e-02 -9.985402396e-02 5.02 -9.527272701e-02 -9.527272701e-02 5.04 -9.094494019e-02 -9.094494019e-02 5.06 -8.685979577e-02 -8.685979577e-02 5.08 -8.300599326e-02 -8.300599326e-02 5.10 -7.937186670e-02 -7.937186670e-02 5.12 -7.594557568e-02 -7.594557568e-02 5.14 -7.271504265e-02 -7.271504265e-02 5.16 -6.966800887e-02 -6.966800887e-02 5.18 -6.679212246e-02 -6.679212246e-02 5.20 -6.407504774e-02 -6.407504774e-02 5.22 -6.150458741e-02 -6.150458741e-02 5.24 -5.906880635e-02 -5.906880635e-02 5.26 -5.675614586e-02 -5.675614586e-02 5.28 -5.455551972e-02 -5.455551972e-02 5.30 -5.245638678e-02 -5.245638678e-02 5.32 -5.044879850e-02 -5.044879850e-02 5.34 -4.852342285e-02 -4.852342285e-02 5.36 -4.667154822e-02 -4.667154822e-02 5.38 -4.488507225e-02 -4.488507225e-02 5.40 -4.315648092e-02 -4.315648092e-02 5.42 -4.147882343e-02 -4.147882343e-02 5.44 -3.984568763e-02 -3.984568763e-02 5.46 -3.825118046e-02 -3.825118046e-02 5.48 -3.668991681e-02 -3.668991681e-02 5.50 -3.515701960e-02 -3.515701960e-02 5.52 -3.364813278e-02 -3.364813278e-02 5.54 -3.215944861e-02 -3.215944861e-02 5.56 -3.068774742e-02 -3.068774742e-02 5.58 -2.923044998e-02 -2.923044998e-02 5.60 -2.778567890e-02 -2.778567890e-02 5.62 -2.635232392e-02 -2.635232392e-02 5.64 -2.493010475e-02 -2.493010475e-02 5.66 -2.351962368e-02 -2.351962368e-02 5.68 -2.212239851e-02 -2.212239851e-02 5.70 -2.074086650e-02 -2.074086650e-02 5.72 -1.937835009e-02 -1.937835009e-02 5.74 -1.803897759e-02 -1.803897759e-02 5.76 -1.672755217e-02 -1.672755217e-02 5.78 -1.544913974e-02 -1.544913974e-02 5.80 -1.420927344e-02 -1.420927344e-02 5.82 -1.301370673e-02 -1.301370673e-02 5.84 -1.186795776e-02 -1.186795776e-02 5.86 -1.077705485e-02 -1.077705485e-02 5.88 -9.745309337e-03 -9.745309337e-03 5.90 -8.776133329e-03 -8.776133329e-03 5.92 -7.871915033e-03 -7.871915033e-03 5.94 -7.033958057e-03 -7.033958057e-03 5.96 -6.262484304e-03 -6.262484304e-03 5.98 -5.556694002e-03 -5.556694002e-03 6.00 -4.914871861e-03 -4.914871861e-03