# 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 = Fe2MoZr # 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 2.650870094e+02 2.650870094e+02 1.30 2.436437414e+02 2.436437414e+02 1.32 2.239026127e+02 2.239026127e+02 1.34 2.057134529e+02 2.057134529e+02 1.36 1.889409182e+02 1.889409182e+02 1.38 1.734635438e+02 1.734635438e+02 1.40 1.591731132e+02 1.591731132e+02 1.42 1.459737383e+02 1.459737383e+02 1.44 1.337806386e+02 1.337806386e+02 1.46 1.225189527e+02 1.225189527e+02 1.48 1.121224400e+02 1.121224400e+02 1.50 1.025316077e+02 1.025316077e+02 1.52 9.369147056e+01 9.369147056e+01 1.54 8.554968897e+01 8.554968897e+01 1.56 7.805568782e+01 7.805568782e+01 1.58 7.116075331e+01 7.116075331e+01 1.60 6.481849012e+01 6.481849012e+01 1.62 5.898513862e+01 5.898513862e+01 1.64 5.361966480e+01 5.361966480e+01 1.66 4.868376421e+01 4.868376421e+01 1.68 4.414185949e+01 4.414185949e+01 1.70 3.996113643e+01 3.996113643e+01 1.72 3.611146491e+01 3.611146491e+01 1.74 3.256523051e+01 3.256523051e+01 1.76 2.929710338e+01 2.929710338e+01 1.78 2.628385644e+01 2.628385644e+01 1.80 2.350466249e+01 2.350466249e+01 1.82 2.094114144e+01 2.094114144e+01 1.84 1.857784506e+01 1.857784506e+01 1.86 1.639890331e+01 1.639890331e+01 1.88 1.439022927e+01 1.439022927e+01 1.90 1.253947267e+01 1.253947267e+01 1.92 1.083567691e+01 1.083567691e+01 1.94 9.268907199e+00 9.268907199e+00 1.96 7.829863870e+00 7.829863870e+00 1.98 6.509637561e+00 6.509637561e+00 2.00 5.299606502e+00 5.299606502e+00 2.02 4.191434170e+00 4.191434170e+00 2.04 3.177120610e+00 3.177120610e+00 2.06 2.249063139e+00 2.249063139e+00 2.08 1.400099312e+00 1.400099312e+00 2.10 6.235398232e-01 6.235398232e-01 2.12 -8.679822182e-02 -8.679822182e-02 2.14 -7.365624360e-01 -7.365624360e-01 2.16 -1.330833460e+00 -1.330833460e+00 2.18 -1.874130905e+00 -1.874130905e+00 2.20 -2.370453192e+00 -2.370453192e+00 2.22 -2.823360976e+00 -2.823360976e+00 2.24 -3.236059407e+00 -3.236059407e+00 2.26 -3.611461626e+00 -3.611461626e+00 2.28 -3.952239647e+00 -3.952239647e+00 2.30 -4.260830966e+00 -4.260830966e+00 2.32 -4.539484851e+00 -4.539484851e+00 2.34 -4.790261988e+00 -4.790261988e+00 2.36 -5.015078333e+00 -5.015078333e+00 2.38 -5.215728196e+00 -5.215728196e+00 2.40 -5.393908572e+00 -5.393908572e+00 2.42 -5.551242665e+00 -5.551242665e+00 2.44 -5.689288827e+00 -5.689288827e+00 2.46 -5.809547797e+00 -5.809547797e+00 2.48 -5.913453845e+00 -5.913453845e+00 2.50 -6.002366688e+00 -6.002366688e+00 2.52 -6.077603064e+00 -6.077603064e+00 2.54 -6.140219985e+00 -6.140219985e+00 2.56 -6.191091135e+00 -6.191091135e+00 2.58 -6.230913937e+00 -6.230913937e+00 2.60 -6.260508319e+00 -6.260508319e+00 2.62 -6.280599336e+00 -6.280599336e+00 2.64 -6.291820971e+00 -6.291820971e+00 2.66 -6.294604992e+00 -6.294604992e+00 2.68 -6.289188870e+00 -6.289188870e+00 2.70 -6.275809425e+00 -6.275809425e+00 2.72 -6.254708734e+00 -6.254708734e+00 2.74 -6.226003428e+00 -6.226003428e+00 2.76 -6.189746374e+00 -6.189746374e+00 2.78 -6.146038366e+00 -6.146038366e+00 2.80 -6.095028072e+00 -6.095028072e+00 2.82 -6.036891186e+00 -6.036891186e+00 2.84 -5.971836694e+00 -5.971836694e+00 2.86 -5.900105890e+00 -5.900105890e+00 2.88 -5.821977325e+00 -5.821977325e+00 2.90 -5.737773157e+00 -5.737773157e+00 2.92 -5.647865350e+00 -5.647865350e+00 2.94 -5.552683191e+00 -5.552683191e+00 2.96 -5.452692625e+00 -5.452692625e+00 2.98 -5.348400224e+00 -5.348400224e+00 3.00 -5.240343207e+00 -5.240343207e+00 3.02 -5.129071847e+00 -5.129071847e+00 3.04 -5.015127762e+00 -5.015127762e+00 3.06 -4.899040480e+00 -4.899040480e+00 3.08 -4.781294274e+00 -4.781294274e+00 3.10 -4.662317493e+00 -4.662317493e+00 3.12 -4.542337550e+00 -4.542337550e+00 3.14 -4.421505027e+00 -4.421505027e+00 3.16 -4.299976154e+00 -4.299976154e+00 3.18 -4.177927014e+00 -4.177927014e+00 3.20 -4.055557541e+00 -4.055557541e+00 3.22 -3.933097379e+00 -3.933097379e+00 3.24 -3.810810033e+00 -3.810810033e+00 3.26 -3.688994346e+00 -3.688994346e+00 3.28 -3.567982453e+00 -3.567982453e+00 3.30 -3.448133565e+00 -3.448133565e+00 3.32 -3.329823515e+00 -3.329823515e+00 3.34 -3.213430943e+00 -3.213430943e+00 3.36 -3.099322020e+00 -3.099322020e+00 3.38 -2.987836080e+00 -2.987836080e+00 3.40 -2.879272968e+00 -2.879272968e+00 3.42 -2.773891609e+00 -2.773891609e+00 3.44 -2.671898102e+00 -2.671898102e+00 3.46 -2.573452411e+00 -2.573452411e+00 3.48 -2.478668721e+00 -2.478668721e+00 3.50 -2.387618131e+00 -2.387618131e+00 3.52 -2.300331251e+00 -2.300331251e+00 3.54 -2.216800545e+00 -2.216800545e+00 3.56 -2.136982629e+00 -2.136982629e+00 3.58 -2.060800896e+00 -2.060800896e+00 3.60 -1.988148770e+00 -1.988148770e+00 3.62 -1.918893749e+00 -1.918893749e+00 3.64 -1.852882205e+00 -1.852882205e+00 3.66 -1.789944756e+00 -1.789944756e+00 3.68 -1.729901943e+00 -1.729901943e+00 3.70 -1.672569962e+00 -1.672569962e+00 3.72 -1.617766166e+00 -1.617766166e+00 3.74 -1.565314149e+00 -1.565314149e+00 3.76 -1.515048223e+00 -1.515048223e+00 3.78 -1.466817092e+00 -1.466817092e+00 3.80 -1.420486544e+00 -1.420486544e+00 3.82 -1.375940918e+00 -1.375940918e+00 3.84 -1.333083176e+00 -1.333083176e+00 3.86 -1.291833474e+00 -1.291833474e+00 3.88 -1.252126321e+00 -1.252126321e+00 3.90 -1.213906679e+00 -1.213906679e+00 3.92 -1.177123592e+00 -1.177123592e+00 3.94 -1.141734260e+00 -1.141734260e+00 3.96 -1.107687604e+00 -1.107687604e+00 3.98 -1.074931447e+00 -1.074931447e+00 4.00 -1.043409367e+00 -1.043409367e+00 4.02 -1.013061246e+00 -1.013061246e+00 4.04 -9.838245888e-01 -9.838245888e-01 4.06 -9.556360042e-01 -9.556360042e-01 4.08 -9.284339024e-01 -9.284339024e-01 4.10 -9.021544083e-01 -9.021544083e-01 4.12 -8.767526098e-01 -8.767526098e-01 4.14 -8.521712884e-01 -8.521712884e-01 4.16 -8.283637652e-01 -8.283637652e-01 4.18 -8.052879040e-01 -8.052879040e-01 4.20 -7.829058895e-01 -7.829058895e-01 4.22 -7.611838749e-01 -7.611838749e-01 4.24 -7.400915676e-01 -7.400915676e-01 4.26 -7.196017983e-01 -7.196017983e-01 4.28 -6.996901062e-01 -6.996901062e-01 4.30 -6.803343561e-01 -6.803343561e-01 4.32 -6.615143984e-01 -6.615143984e-01 4.34 -6.432117708e-01 -6.432117708e-01 4.36 -6.254094442e-01 -6.254094442e-01 4.38 -6.080916067e-01 -6.080916067e-01 4.40 -5.912434824e-01 -5.912434824e-01 4.42 -5.748511805e-01 -5.748511805e-01 4.44 -5.589015697e-01 -5.589015697e-01 4.46 -5.433821748e-01 -5.433821748e-01 4.48 -5.282810903e-01 -5.282810903e-01 4.50 -5.135869095e-01 -5.135869095e-01 4.52 -4.992886660e-01 -4.992886660e-01 4.54 -4.853757843e-01 -4.853757843e-01 4.56 -4.718380395e-01 -4.718380395e-01 4.58 -4.586655225e-01 -4.586655225e-01 4.60 -4.458486121e-01 -4.458486121e-01 4.62 -4.333779495e-01 -4.333779495e-01 4.64 -4.212444175e-01 -4.212444175e-01 4.66 -4.094391221e-01 -4.094391221e-01 4.68 -3.979533761e-01 -3.979533761e-01 4.70 -3.867786846e-01 -3.867786846e-01 4.72 -3.759067313e-01 -3.759067313e-01 4.74 -3.653293661e-01 -3.653293661e-01 4.76 -3.550385938e-01 -3.550385938e-01 4.78 -3.450265621e-01 -3.450265621e-01 4.80 -3.352823745e-01 -3.352823745e-01 4.82 -3.258053271e-01 -3.258053271e-01 4.84 -3.165841196e-01 -3.165841196e-01 4.86 -3.076113807e-01 -3.076113807e-01 4.88 -2.988798254e-01 -2.988798254e-01 4.90 -2.903822443e-01 -2.903822443e-01 4.92 -2.821114939e-01 -2.821114939e-01 4.94 -2.740604866e-01 -2.740604866e-01 4.96 -2.662221811e-01 -2.662221811e-01 4.98 -2.585895737e-01 -2.585895737e-01 5.00 -2.511556910e-01 -2.511556910e-01 5.02 -2.439135838e-01 -2.439135838e-01 5.04 -2.368563248e-01 -2.368563248e-01 5.06 -2.299770084e-01 -2.299770084e-01 5.08 -2.232687559e-01 -2.232687559e-01 5.10 -2.167247267e-01 -2.167247267e-01 5.12 -2.103381367e-01 -2.103381367e-01 5.14 -2.041022859e-01 -2.041022859e-01 5.16 -1.980105971e-01 -1.980105971e-01 5.18 -1.920566672e-01 -1.920566672e-01 5.20 -1.862343323e-01 -1.862343323e-01 5.22 -1.805377488e-01 -1.805377488e-01 5.24 -1.749614884e-01 -1.749614884e-01 5.26 -1.695006484e-01 -1.695006484e-01 5.28 -1.641509718e-01 -1.641509718e-01 5.30 -1.589089735e-01 -1.589089735e-01 5.32 -1.537720642e-01 -1.537720642e-01 5.34 -1.487386601e-01 -1.487386601e-01 5.36 -1.438082687e-01 -1.438082687e-01 5.38 -1.389815336e-01 -1.389815336e-01 5.40 -1.342602237e-01 -1.342602237e-01 5.42 -1.296471565e-01 -1.296471565e-01 5.44 -1.251460491e-01 -1.251460491e-01 5.46 -1.207612958e-01 -1.207612958e-01 5.48 -1.164976777e-01 -1.164976777e-01 5.50 -1.123600300e-01 -1.123600300e-01 5.52 -1.083528888e-01 -1.083528888e-01 5.54 -1.044801445e-01 -1.044801445e-01 5.56 -1.007447346e-01 -1.007447346e-01 5.58 -9.714840188e-02 -9.714840188e-02 5.60 -9.369141818e-02 -9.369141818e-02 5.62 -9.037269707e-02 -9.037269707e-02 5.64 -8.718992817e-02 -8.718992817e-02 5.66 -8.413946564e-02 -8.413946564e-02 5.68 -8.121649553e-02 -8.121649553e-02 5.70 -7.841524143e-02 -7.841524143e-02 5.72 -7.572918628e-02 -7.572918628e-02 5.74 -7.315129144e-02 -7.315129144e-02 5.76 -7.067419908e-02 -7.067419908e-02 5.78 -6.829040850e-02 -6.829040850e-02 5.80 -6.599242203e-02 -6.599242203e-02 5.82 -6.377285957e-02 -6.377285957e-02 5.84 -6.162454411e-02 -6.162454411e-02 5.86 -5.954056212e-02 -5.954056212e-02 5.88 -5.751430370e-02 -5.751430370e-02 5.90 -5.553948805e-02 -5.553948805e-02 5.92 -5.361017920e-02 -5.361017920e-02 5.94 -5.172079685e-02 -5.172079685e-02 5.96 -4.986612660e-02 -4.986612660e-02 5.98 -4.804133285e-02 -4.804133285e-02 6.00 -4.624197733e-02 -4.624197733e-02