# 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 = CuFeZr2 # 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 2.511343432e+02 2.511343432e+02 1.30 2.318751578e+02 2.318751578e+02 1.32 2.140721201e+02 2.140721201e+02 1.34 1.976067010e+02 1.976067010e+02 1.36 1.823722338e+02 1.823722338e+02 1.38 1.682724200e+02 1.682724200e+02 1.40 1.552199462e+02 1.552199462e+02 1.42 1.431348377e+02 1.431348377e+02 1.44 1.319431540e+02 1.319431540e+02 1.46 1.215768750e+02 1.215768750e+02 1.48 1.119743608e+02 1.119743608e+02 1.50 1.030799077e+02 1.030799077e+02 1.52 9.484226105e+01 9.484226105e+01 1.54 8.721309259e+01 8.721309259e+01 1.56 8.014637902e+01 8.014637902e+01 1.58 7.359883899e+01 7.359883899e+01 1.60 6.753059107e+01 6.753059107e+01 1.62 6.190535977e+01 6.190535977e+01 1.64 5.669017090e+01 5.669017090e+01 1.66 5.185489045e+01 5.185489045e+01 1.68 4.737185830e+01 4.737185830e+01 1.70 4.321577580e+01 4.321577580e+01 1.72 3.936353783e+01 3.936353783e+01 1.74 3.579398325e+01 3.579398325e+01 1.76 3.248753210e+01 3.248753210e+01 1.78 2.942587137e+01 2.942587137e+01 1.80 2.659166912e+01 2.659166912e+01 1.82 2.396842654e+01 2.396842654e+01 1.84 2.154029679e+01 2.154029679e+01 1.86 1.929227836e+01 1.929227836e+01 1.88 1.721121043e+01 1.721121043e+01 1.90 1.528442644e+01 1.528442644e+01 1.92 1.350034884e+01 1.350034884e+01 1.94 1.184859665e+01 1.184859665e+01 1.96 1.031977553e+01 1.031977553e+01 1.98 8.905353537e+00 8.905353537e+00 2.00 7.597454519e+00 7.597454519e+00 2.02 6.388761897e+00 6.388761897e+00 2.04 5.272451136e+00 5.272451136e+00 2.06 4.242123037e+00 4.242123037e+00 2.08 3.291735075e+00 3.291735075e+00 2.10 2.415557848e+00 2.415557848e+00 2.12 1.608186258e+00 1.608186258e+00 2.14 8.645710798e-01 8.645710798e-01 2.16 1.800808293e-01 1.800808293e-01 2.18 -4.494895757e-01 -4.494895757e-01 2.20 -1.027953445e+00 -1.027953445e+00 2.22 -1.558827057e+00 -1.558827057e+00 2.24 -2.045403384e+00 -2.045403384e+00 2.26 -2.490784139e+00 -2.490784139e+00 2.28 -2.897889230e+00 -2.897889230e+00 2.30 -3.269409422e+00 -3.269409422e+00 2.32 -3.607841676e+00 -3.607841676e+00 2.34 -3.915449327e+00 -3.915449327e+00 2.36 -4.194318944e+00 -4.194318944e+00 2.38 -4.446381152e+00 -4.446381152e+00 2.40 -4.673443034e+00 -4.673443034e+00 2.42 -4.877228690e+00 -4.877228690e+00 2.44 -5.059401477e+00 -5.059401477e+00 2.46 -5.221589948e+00 -5.221589948e+00 2.48 -5.365387288e+00 -5.365387288e+00 2.50 -5.492334320e+00 -5.492334320e+00 2.52 -5.603890341e+00 -5.603890341e+00 2.54 -5.701401109e+00 -5.701401109e+00 2.56 -5.786073528e+00 -5.786073528e+00 2.58 -5.858964836e+00 -5.858964836e+00 2.60 -5.920989825e+00 -5.920989825e+00 2.62 -5.972940444e+00 -5.972940444e+00 2.64 -6.015646929e+00 -6.015646929e+00 2.66 -6.049707681e+00 -6.049707681e+00 2.68 -6.075600587e+00 -6.075600587e+00 2.70 -6.093809806e+00 -6.093809806e+00 2.72 -6.104821724e+00 -6.104821724e+00 2.74 -6.109114987e+00 -6.109114987e+00 2.76 -6.107147584e+00 -6.107147584e+00 2.78 -6.099341693e+00 -6.099341693e+00 2.80 -6.085984531e+00 -6.085984531e+00 2.82 -6.067095227e+00 -6.067095227e+00 2.84 -6.042699161e+00 -6.042699161e+00 2.86 -6.012864115e+00 -6.012864115e+00 2.88 -5.977700026e+00 -5.977700026e+00 2.90 -5.937358977e+00 -5.937358977e+00 2.92 -5.892033618e+00 -5.892033618e+00 2.94 -5.841953244e+00 -5.841953244e+00 2.96 -5.787377657e+00 -5.787377657e+00 2.98 -5.728589426e+00 -5.728589426e+00 3.00 -5.665885464e+00 -5.665885464e+00 3.02 -5.599568935e+00 -5.599568935e+00 3.04 -5.529978522e+00 -5.529978522e+00 3.06 -5.457562852e+00 -5.457562852e+00 3.08 -5.382488587e+00 -5.382488587e+00 3.10 -5.304915642e+00 -5.304915642e+00 3.12 -5.225020736e+00 -5.225020736e+00 3.14 -5.143009429e+00 -5.143009429e+00 3.16 -5.059086874e+00 -5.059086874e+00 3.18 -4.973478255e+00 -4.973478255e+00 3.20 -4.886422625e+00 -4.886422625e+00 3.22 -4.798170924e+00 -4.798170924e+00 3.24 -4.708987482e+00 -4.708987482e+00 3.26 -4.619159282e+00 -4.619159282e+00 3.28 -4.528982223e+00 -4.528982223e+00 3.30 -4.438754195e+00 -4.438754195e+00 3.32 -4.348745801e+00 -4.348745801e+00 3.34 -4.259156004e+00 -4.259156004e+00 3.36 -4.170166468e+00 -4.170166468e+00 3.38 -4.081943217e+00 -4.081943217e+00 3.40 -3.994625704e+00 -3.994625704e+00 3.42 -3.908329960e+00 -3.908329960e+00 3.44 -3.823134687e+00 -3.823134687e+00 3.46 -3.739092923e+00 -3.739092923e+00 3.48 -3.656233911e+00 -3.656233911e+00 3.50 -3.574568097e+00 -3.574568097e+00 3.52 -3.494091821e+00 -3.494091821e+00 3.54 -3.414791222e+00 -3.414791222e+00 3.56 -3.336645246e+00 -3.336645246e+00 3.58 -3.259627849e+00 -3.259627849e+00 3.60 -3.183709626e+00 -3.183709626e+00 3.62 -3.108859109e+00 -3.108859109e+00 3.64 -3.035043967e+00 -3.035043967e+00 3.66 -2.962232331e+00 -2.962232331e+00 3.68 -2.890394387e+00 -2.890394387e+00 3.70 -2.819504380e+00 -2.819504380e+00 3.72 -2.749543045e+00 -2.749543045e+00 3.74 -2.680500413e+00 -2.680500413e+00 3.76 -2.612378776e+00 -2.612378776e+00 3.78 -2.545195463e+00 -2.545195463e+00 3.80 -2.478984881e+00 -2.478984881e+00 3.82 -2.413799231e+00 -2.413799231e+00 3.84 -2.349707285e+00 -2.349707285e+00 3.86 -2.286790871e+00 -2.286790871e+00 3.88 -2.225139086e+00 -2.225139086e+00 3.90 -2.164840785e+00 -2.164840785e+00 3.92 -2.105972766e+00 -2.105972766e+00 3.94 -2.048607449e+00 -2.048607449e+00 3.96 -1.992783072e+00 -1.992783072e+00 3.98 -1.938517696e+00 -1.938517696e+00 4.00 -1.885804535e+00 -1.885804535e+00 4.02 -1.834614360e+00 -1.834614360e+00 4.04 -1.784899639e+00 -1.784899639e+00 4.06 -1.736599519e+00 -1.736599519e+00 4.08 -1.689644834e+00 -1.689644834e+00 4.10 -1.643955198e+00 -1.643955198e+00 4.12 -1.599473528e+00 -1.599473528e+00 4.14 -1.556120053e+00 -1.556120053e+00 4.16 -1.513828433e+00 -1.513828433e+00 4.18 -1.472537840e+00 -1.472537840e+00 4.20 -1.432193641e+00 -1.432193641e+00 4.22 -1.392747742e+00 -1.392747742e+00 4.24 -1.354158751e+00 -1.354158751e+00 4.26 -1.316392044e+00 -1.316392044e+00 4.28 -1.279419790e+00 -1.279419790e+00 4.30 -1.243220955e+00 -1.243220955e+00 4.32 -1.207781249e+00 -1.207781249e+00 4.34 -1.173092971e+00 -1.173092971e+00 4.36 -1.139154680e+00 -1.139154680e+00 4.38 -1.105970633e+00 -1.105970633e+00 4.40 -1.073549915e+00 -1.073549915e+00 4.42 -1.041905279e+00 -1.041905279e+00 4.44 -1.011051699e+00 -1.011051699e+00 4.46 -9.810047399e-01 -9.810047399e-01 4.48 -9.517788605e-01 -9.517788605e-01 4.50 -9.233858141e-01 -9.233858141e-01 4.52 -8.958332893e-01 -8.958332893e-01 4.54 -8.691239181e-01 -8.691239181e-01 4.56 -8.432547236e-01 -8.432547236e-01 4.58 -8.182170188e-01 -8.182170188e-01 4.60 -7.939967136e-01 -7.939967136e-01 4.62 -7.705749443e-01 -7.705749443e-01 4.64 -7.479289163e-01 -7.479289163e-01 4.66 -7.260328507e-01 -7.260328507e-01 4.68 -7.048589346e-01 -7.048589346e-01 4.70 -6.843782029e-01 -6.843782029e-01 4.72 -6.645612998e-01 -6.645612998e-01 4.74 -6.453790969e-01 -6.453790969e-01 4.76 -6.268031624e-01 -6.268031624e-01 4.78 -6.088060913e-01 -6.088060913e-01 4.80 -5.913555080e-01 -5.913555080e-01 4.82 -5.744400447e-01 -5.744400447e-01 4.84 -5.580288027e-01 -5.580288027e-01 4.86 -5.420996971e-01 -5.420996971e-01 4.88 -5.266319093e-01 -5.266319093e-01 4.90 -5.116057929e-01 -5.116057929e-01 4.92 -4.970027649e-01 -4.970027649e-01 4.94 -4.828051906e-01 -4.828051906e-01 4.96 -4.689962694e-01 -4.689962694e-01 4.98 -4.555599250e-01 -4.555599250e-01 5.00 -4.424807038e-01 -4.424807038e-01 5.02 -4.297436851e-01 -4.297436851e-01 5.04 -4.173344032e-01 -4.173344032e-01 5.06 -4.052387849e-01 -4.052387849e-01 5.08 -3.934431033e-01 -3.934431033e-01 5.10 -3.819339500e-01 -3.819339500e-01 5.12 -3.706982295e-01 -3.706982295e-01 5.14 -3.597231756e-01 -3.597231756e-01 5.16 -3.489963951e-01 -3.489963951e-01 5.18 -3.385059403e-01 -3.385059403e-01 5.20 -3.282404127e-01 -3.282404127e-01 5.22 -3.181890989e-01 -3.181890989e-01 5.24 -3.083421397e-01 -3.083421397e-01 5.26 -2.986907273e-01 -2.986907273e-01 5.28 -2.892273267e-01 -2.892273267e-01 5.30 -2.799459091e-01 -2.799459091e-01 5.32 -2.708421827e-01 -2.708421827e-01 5.34 -2.619137988e-01 -2.619137988e-01 5.36 -2.531605108e-01 -2.531605108e-01 5.38 -2.445842549e-01 -2.445842549e-01 5.40 -2.361891283e-01 -2.361891283e-01 5.42 -2.279812401e-01 -2.279812401e-01 5.44 -2.199684220e-01 -2.199684220e-01 5.46 -2.121597989e-01 -2.121597989e-01 5.48 -2.045652352e-01 -2.045652352e-01 5.50 -1.971946921e-01 -1.971946921e-01 5.52 -1.900575452e-01 -1.900575452e-01 5.54 -1.831619178e-01 -1.831619178e-01 5.56 -1.765140909e-01 -1.765140909e-01 5.58 -1.701180386e-01 -1.701180386e-01 5.60 -1.639748955e-01 -1.639748955e-01 5.62 -1.580831717e-01 -1.580831717e-01 5.64 -1.524390270e-01 -1.524390270e-01 5.66 -1.470360475e-01 -1.470360475e-01 5.68 -1.418655689e-01 -1.418655689e-01 5.70 -1.369170726e-01 -1.369170726e-01 5.72 -1.321786142e-01 -1.321786142e-01 5.74 -1.276372449e-01 -1.276372449e-01 5.76 -1.232794025e-01 -1.232794025e-01 5.78 -1.190912506e-01 -1.190912506e-01 5.80 -1.150589598e-01 -1.150589598e-01 5.82 -1.111689281e-01 -1.111689281e-01 5.84 -1.074079452e-01 -1.074079452e-01 5.86 -1.037633077e-01 -1.037633077e-01 5.88 -1.002228947e-01 -1.002228947e-01 5.90 -9.677521498e-02 -9.677521498e-02 5.92 -9.340943420e-02 -9.340943420e-02 5.94 -9.011539145e-02 -9.011539145e-02 5.96 -8.688361380e-02 -8.688361380e-02 5.98 -8.370533466e-02 -8.370533466e-02 6.00 -8.057252135e-02 -8.057252135e-02