# 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 = FePdW2 # 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 3.840552551e+02 3.840552551e+02 1.30 3.540594925e+02 3.540594925e+02 1.32 3.264172350e+02 3.264172350e+02 1.34 3.009238680e+02 3.009238680e+02 1.36 2.773929174e+02 2.773929174e+02 1.38 2.556556547e+02 2.556556547e+02 1.40 2.355612447e+02 2.355612447e+02 1.42 2.169761048e+02 2.169761048e+02 1.44 1.997821737e+02 1.997821737e+02 1.46 1.838743899e+02 1.838743899e+02 1.48 1.691579369e+02 1.691579369e+02 1.50 1.555458869e+02 1.555458869e+02 1.52 1.429576204e+02 1.429576204e+02 1.54 1.313179799e+02 1.313179799e+02 1.56 1.205568423e+02 1.205568423e+02 1.58 1.106088116e+02 1.106088116e+02 1.60 1.014129244e+02 1.014129244e+02 1.62 9.291237488e+01 9.291237488e+01 1.64 8.505423190e+01 8.505423190e+01 1.66 7.778908580e+01 7.778908580e+01 1.68 7.107065271e+01 7.107065271e+01 1.70 6.485548137e+01 6.485548137e+01 1.72 5.910290615e+01 5.910290615e+01 1.74 5.377527662e+01 5.377527662e+01 1.76 4.883833940e+01 4.883833940e+01 1.78 4.426153385e+01 4.426153385e+01 1.80 4.001798125e+01 4.001798125e+01 1.82 3.608502288e+01 3.608502288e+01 1.84 3.244241254e+01 3.244241254e+01 1.86 2.907107767e+01 2.907107767e+01 1.88 2.595764137e+01 2.595764137e+01 1.90 2.309858337e+01 2.309858337e+01 1.92 2.047612992e+01 2.047612992e+01 1.94 1.807239814e+01 1.807239814e+01 1.96 1.587066672e+01 1.587066672e+01 1.98 1.385529837e+01 1.385529837e+01 2.00 1.201163529e+01 1.201163529e+01 2.02 1.032589509e+01 1.032589509e+01 2.04 8.785082807e+00 8.785082807e+00 2.06 7.376924565e+00 7.376924565e+00 2.08 6.089826919e+00 6.089826919e+00 2.10 4.912871227e+00 4.912871227e+00 2.12 3.835851210e+00 3.835851210e+00 2.14 2.849349466e+00 2.849349466e+00 2.16 1.944829896e+00 1.944829896e+00 2.18 1.114710644e+00 1.114710644e+00 2.20 3.523854614e-01 3.523854614e-01 2.22 -3.478210176e-01 -3.478210176e-01 2.24 -9.907568328e-01 -9.907568328e-01 2.26 -1.580582482e+00 -1.580582482e+00 2.28 -2.120920095e+00 -2.120920095e+00 2.30 -2.614990251e+00 -2.614990251e+00 2.32 -3.065723857e+00 -3.065723857e+00 2.34 -3.475845062e+00 -3.475845062e+00 2.36 -3.847926933e+00 -3.847926933e+00 2.38 -4.184424548e+00 -4.184424548e+00 2.40 -4.487580796e+00 -4.487580796e+00 2.42 -4.759597463e+00 -4.759597463e+00 2.44 -5.002850525e+00 -5.002850525e+00 2.46 -5.219580115e+00 -5.219580115e+00 2.48 -5.411885937e+00 -5.411885937e+00 2.50 -5.581720403e+00 -5.581720403e+00 2.52 -5.730875532e+00 -5.730875532e+00 2.54 -5.860940772e+00 -5.860940772e+00 2.56 -5.972869567e+00 -5.972869567e+00 2.58 -6.067171814e+00 -6.067171814e+00 2.60 -6.144353652e+00 -6.144353652e+00 2.62 -6.204916841e+00 -6.204916841e+00 2.64 -6.249353393e+00 -6.249353393e+00 2.66 -6.278146092e+00 -6.278146092e+00 2.68 -6.291771750e+00 -6.291771750e+00 2.70 -6.290705150e+00 -6.290705150e+00 2.72 -6.275422745e+00 -6.275422745e+00 2.74 -6.246406034e+00 -6.246406034e+00 2.76 -6.204145278e+00 -6.204145278e+00 2.78 -6.149144601e+00 -6.149144601e+00 2.80 -6.081929589e+00 -6.081929589e+00 2.82 -6.003058183e+00 -6.003058183e+00 2.84 -5.913134920e+00 -5.913134920e+00 2.86 -5.812849730e+00 -5.812849730e+00 2.88 -5.703321161e+00 -5.703321161e+00 2.90 -5.585330546e+00 -5.585330546e+00 2.92 -5.459608530e+00 -5.459608530e+00 2.94 -5.327032485e+00 -5.327032485e+00 2.96 -5.188611215e+00 -5.188611215e+00 2.98 -5.045444045e+00 -5.045444045e+00 3.00 -4.898684157e+00 -4.898684157e+00 3.02 -4.749508244e+00 -4.749508244e+00 3.04 -4.599094011e+00 -4.599094011e+00 3.06 -4.448516912e+00 -4.448516912e+00 3.08 -4.298702832e+00 -4.298702832e+00 3.10 -4.150402944e+00 -4.150402944e+00 3.12 -4.004099009e+00 -4.004099009e+00 3.14 -3.859999389e+00 -3.859999389e+00 3.16 -3.718170896e+00 -3.718170896e+00 3.18 -3.578570854e+00 -3.578570854e+00 3.20 -3.441076740e+00 -3.441076740e+00 3.22 -3.305517124e+00 -3.305517124e+00 3.24 -3.171700779e+00 -3.171700779e+00 3.26 -3.039441995e+00 -3.039441995e+00 3.28 -2.908581330e+00 -2.908581330e+00 3.30 -2.779001969e+00 -2.779001969e+00 3.32 -2.650642431e+00 -2.650642431e+00 3.34 -2.523506456e+00 -2.523506456e+00 3.36 -2.397670614e+00 -2.397670614e+00 3.38 -2.273289599e+00 -2.273289599e+00 3.40 -2.150598516e+00 -2.150598516e+00 3.42 -2.029911050e+00 -2.029911050e+00 3.44 -1.911612284e+00 -1.911612284e+00 3.46 -1.796145354e+00 -1.796145354e+00 3.48 -1.683991938e+00 -1.683991938e+00 3.50 -1.575647640e+00 -1.575647640e+00 3.52 -1.471594331e+00 -1.471594331e+00 3.54 -1.372272237e+00 -1.372272237e+00 3.56 -1.278054734e+00 -1.278054734e+00 3.58 -1.189228455e+00 -1.189228455e+00 3.60 -1.105980499e+00 -1.105980499e+00 3.62 -1.028393448e+00 -1.028393448e+00 3.64 -9.564478581e-01 -9.564478581e-01 3.66 -8.900310223e-01 -8.900310223e-01 3.68 -8.289502727e-01 -8.289502727e-01 3.70 -7.729489292e-01 -7.729489292e-01 3.72 -7.217231180e-01 -7.217231180e-01 3.74 -6.749380099e-01 -6.749380099e-01 3.76 -6.322424461e-01 -6.322424461e-01 3.78 -5.932813415e-01 -5.932813415e-01 3.80 -5.577056204e-01 -5.577056204e-01 3.82 -5.251797202e-01 -5.251797202e-01 3.84 -4.953868881e-01 -4.953868881e-01 3.86 -4.680325992e-01 -4.680325992e-01 3.88 -4.428464665e-01 -4.428464665e-01 3.90 -4.195830062e-01 -4.195830062e-01 3.92 -3.980215812e-01 -3.980215812e-01 3.94 -3.779657969e-01 -3.779657969e-01 3.96 -3.592425552e-01 -3.592425552e-01 3.98 -3.417009047e-01 -3.417009047e-01 4.00 -3.252107829e-01 -3.252107829e-01 4.02 -3.096616780e-01 -3.096616780e-01 4.04 -2.949611897e-01 -2.949611897e-01 4.06 -2.810334242e-01 -2.810334242e-01 4.08 -2.678172125e-01 -2.678172125e-01 4.10 -2.552640550e-01 -2.552640550e-01 4.12 -2.433359152e-01 -2.433359152e-01 4.14 -2.320030150e-01 -2.320030150e-01 4.16 -2.212411633e-01 -2.212411633e-01 4.18 -2.110294075e-01 -2.110294075e-01 4.20 -2.013479486e-01 -2.013479486e-01 4.22 -1.921764580e-01 -1.921764580e-01 4.24 -1.834928951e-01 -1.834928951e-01 4.26 -1.752728567e-01 -1.752728567e-01 4.28 -1.674894169e-01 -1.674894169e-01 4.30 -1.601133667e-01 -1.601133667e-01 4.32 -1.531137340e-01 -1.531137340e-01 4.34 -1.464584164e-01 -1.464584164e-01 4.36 -1.401145203e-01 -1.401145203e-01 4.38 -1.340501115e-01 -1.340501115e-01 4.40 -1.282341416e-01 -1.282341416e-01 4.42 -1.226367206e-01 -1.226367206e-01 4.44 -1.172295626e-01 -1.172295626e-01 4.46 -1.119863175e-01 -1.119863175e-01 4.48 -1.068828246e-01 -1.068828246e-01 4.50 -1.018973223e-01 -1.018973223e-01 4.52 -9.701064261e-02 -9.701064261e-02 4.54 -9.220641203e-02 -9.220641203e-02 4.56 -8.747126774e-02 -8.747126774e-02 4.58 -8.279508933e-02 -8.279508933e-02 4.60 -7.817123311e-02 -7.817123311e-02 4.62 -7.359674544e-02 -7.359674544e-02 4.64 -6.907252113e-02 -6.907252113e-02 4.66 -6.460336623e-02 -6.460336623e-02 4.68 -6.019792223e-02 -6.019792223e-02 4.70 -5.586841293e-02 -5.586841293e-02 4.72 -5.163018717e-02 -5.163018717e-02 4.74 -4.750105040e-02 -4.750105040e-02 4.76 -4.350040326e-02 -4.350040326e-02 4.78 -3.964823326e-02 -3.964823326e-02 4.80 -3.596403028e-02 -3.596403028e-02 4.82 -3.246571507e-02 -3.246571507e-02 4.84 -2.916866875e-02 -2.916866875e-02 4.86 -2.608495279e-02 -2.608495279e-02 4.88 -2.322277632e-02 -2.322277632e-02 4.90 -2.058624210e-02 -2.058624210e-02 4.92 -1.817536815e-02 -1.817536815e-02 4.94 -1.598605871e-02 -1.598605871e-02 4.96 -1.401115170e-02 -1.401115170e-02 4.98 -1.224095790e-02 -1.224095790e-02 5.00 -1.066356354e-02 -1.066356354e-02 5.02 -9.265512743e-03 -9.265512743e-03 5.04 -8.032441994e-03 -8.032441994e-03 5.06 -6.949635130e-03 -6.949635130e-03 5.08 -6.002482140e-03 -6.002482140e-03 5.10 -5.176837168e-03 -5.176837168e-03 5.12 -4.459280185e-03 -4.459280185e-03 5.14 -3.837292560e-03 -3.837292560e-03 5.16 -3.299359860e-03 -3.299359860e-03 5.18 -2.835016119e-03 -2.835016119e-03 5.20 -2.434843247e-03 -2.434843247e-03 5.22 -2.090437850e-03 -2.090437850e-03 5.24 -1.794355841e-03 -1.794355841e-03 5.26 -1.540043240e-03 -1.540043240e-03 5.28 -1.321759711e-03 -1.321759711e-03 5.30 -1.134499696e-03 -1.134499696e-03 5.32 -9.739146278e-04 -9.739146278e-04 5.34 -8.362385729e-04 -8.362385729e-04 5.36 -7.182187730e-04 -7.182187730e-04 5.38 -6.170519065e-04 -6.170519065e-04 5.40 -5.303264017e-04 -5.303264017e-04 5.42 -4.559708033e-04 -4.559708033e-04 5.44 -3.922079712e-04 -3.922079712e-04 5.46 -3.375147456e-04 -3.375147456e-04 5.48 -2.905866428e-04 -2.905866428e-04 5.50 -2.503071033e-04 -2.503071033e-04 5.52 -2.157208176e-04 -2.157208176e-04 5.54 -1.860106667e-04 -1.860106667e-04 5.56 -1.604778421e-04 -1.604778421e-04 5.58 -1.385247483e-04 -1.385247483e-04 5.60 -1.196403251e-04 -1.196403251e-04 5.62 -1.033874673e-04 -1.033874673e-04 5.64 -8.939225480e-05 -8.939225480e-05 5.66 -7.733474279e-05 -7.733474279e-05 5.68 -6.694109125e-05 -6.694109125e-05 5.70 -5.797684325e-05 -5.797684325e-05 5.72 -5.024118687e-05 -5.024118687e-05 5.74 -4.356205810e-05 -4.356205810e-05 5.76 -3.779196221e-05 -3.779196221e-05 5.78 -3.280440846e-05 -3.280440846e-05 5.80 -2.849086789e-05 -2.849086789e-05 5.82 -2.475817744e-05 -2.475817744e-05 5.84 -2.152632433e-05 -2.152632433e-05 5.86 -1.872655462e-05 -1.872655462e-05 5.88 -1.629975813e-05 -1.629975813e-05 5.90 -1.419508890e-05 -1.419508890e-05 5.92 -1.236878632e-05 -1.236878632e-05 5.94 -1.078316746e-05 -1.078316746e-05 5.96 -9.405765343e-06 -9.405765343e-06 5.98 -8.208591718e-06 -8.208591718e-06 6.00 -7.167506004e-06 -7.167506004e-06