# 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 = CuNiPb2 # 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 2.569729254e+02 2.569729254e+02 1.30 2.392662265e+02 2.392662265e+02 1.32 2.228202383e+02 2.228202383e+02 1.34 2.075390508e+02 2.075390508e+02 1.36 1.933326115e+02 1.933326115e+02 1.38 1.801159104e+02 1.801159104e+02 1.40 1.678101030e+02 1.678101030e+02 1.42 1.563439595e+02 1.563439595e+02 1.44 1.456540723e+02 1.456540723e+02 1.46 1.356838582e+02 1.356838582e+02 1.48 1.263822547e+02 1.263822547e+02 1.50 1.177025990e+02 1.177025990e+02 1.52 1.096015951e+02 1.096015951e+02 1.54 1.020384569e+02 1.020384569e+02 1.56 9.497440941e+01 9.497440941e+01 1.58 8.837276621e+01 8.837276621e+01 1.60 8.219934495e+01 8.219934495e+01 1.62 7.642295694e+01 7.642295694e+01 1.64 7.101558429e+01 7.101558429e+01 1.66 6.595600190e+01 6.595600190e+01 1.68 6.123300200e+01 6.123300200e+01 1.70 5.682527448e+01 5.682527448e+01 1.72 5.271213246e+01 5.271213246e+01 1.74 4.887413334e+01 4.887413334e+01 1.76 4.529304140e+01 4.529304140e+01 1.78 4.195184204e+01 4.195184204e+01 1.80 3.883465039e+01 3.883465039e+01 1.82 3.592656493e+01 3.592656493e+01 1.84 3.321355007e+01 3.321355007e+01 1.86 3.068240595e+01 3.068240595e+01 1.88 2.832078019e+01 2.832078019e+01 1.90 2.611714305e+01 2.611714305e+01 1.92 2.406071775e+01 2.406071775e+01 1.94 2.214144667e+01 2.214144667e+01 1.96 2.034995878e+01 2.034995878e+01 1.98 1.867756425e+01 1.867756425e+01 2.00 1.711623244e+01 1.711623244e+01 2.02 1.565855023e+01 1.565855023e+01 2.04 1.429766864e+01 1.429766864e+01 2.06 1.302725726e+01 1.302725726e+01 2.08 1.184147508e+01 1.184147508e+01 2.10 1.073493814e+01 1.073493814e+01 2.12 9.702690589e+00 9.702690589e+00 2.14 8.740150867e+00 8.740150867e+00 2.16 7.843053553e+00 7.843053553e+00 2.18 7.007392817e+00 7.007392817e+00 2.20 6.229375309e+00 6.229375309e+00 2.22 5.505397438e+00 5.505397438e+00 2.24 4.832043420e+00 4.832043420e+00 2.26 4.206098318e+00 4.206098318e+00 2.28 3.624562240e+00 3.624562240e+00 2.30 3.084646687e+00 3.084646687e+00 2.32 2.583744278e+00 2.583744278e+00 2.34 2.119397565e+00 2.119397565e+00 2.36 1.689250396e+00 1.689250396e+00 2.38 1.291025367e+00 1.291025367e+00 2.40 9.225226029e-01 9.225226029e-01 2.42 5.816384342e-01 5.816384342e-01 2.44 2.663928397e-01 2.663928397e-01 2.46 -2.504519261e-02 -2.504519261e-02 2.48 -2.943428811e-01 -2.943428811e-01 2.50 -5.430021841e-01 -5.430021841e-01 2.52 -7.723707059e-01 -7.723707059e-01 2.54 -9.836599053e-01 -9.836599053e-01 2.56 -1.177967090e+00 -1.177967090e+00 2.58 -1.356300379e+00 -1.356300379e+00 2.60 -1.519599555e+00 -1.519599555e+00 2.62 -1.668753513e+00 -1.668753513e+00 2.64 -1.804620529e+00 -1.804620529e+00 2.66 -1.928034142e+00 -1.928034142e+00 2.68 -2.039937080e+00 -2.039937080e+00 2.70 -2.141175908e+00 -2.141175908e+00 2.72 -2.232240029e+00 -2.232240029e+00 2.74 -2.313642356e+00 -2.313642356e+00 2.76 -2.385921172e+00 -2.385921172e+00 2.78 -2.449618792e+00 -2.449618792e+00 2.80 -2.505264100e+00 -2.505264100e+00 2.82 -2.553355987e+00 -2.553355987e+00 2.84 -2.594358113e+00 -2.594358113e+00 2.86 -2.628708997e+00 -2.628708997e+00 2.88 -2.656825152e+00 -2.656825152e+00 2.90 -2.679091956e+00 -2.679091956e+00 2.92 -2.695870014e+00 -2.695870014e+00 2.94 -2.707501382e+00 -2.707501382e+00 2.96 -2.714314015e+00 -2.714314015e+00 2.98 -2.716624608e+00 -2.716624608e+00 3.00 -2.714740245e+00 -2.714740245e+00 3.02 -2.708959317e+00 -2.708959317e+00 3.04 -2.699571332e+00 -2.699571332e+00 3.06 -2.686860385e+00 -2.686860385e+00 3.08 -2.671100652e+00 -2.671100652e+00 3.10 -2.652604643e+00 -2.652604643e+00 3.12 -2.631647725e+00 -2.631647725e+00 3.14 -2.608418868e+00 -2.608418868e+00 3.16 -2.583110739e+00 -2.583110739e+00 3.18 -2.555921462e+00 -2.555921462e+00 3.20 -2.527047507e+00 -2.527047507e+00 3.22 -2.496677760e+00 -2.496677760e+00 3.24 -2.464987950e+00 -2.464987950e+00 3.26 -2.432135334e+00 -2.432135334e+00 3.28 -2.398244648e+00 -2.398244648e+00 3.30 -2.363413089e+00 -2.363413089e+00 3.32 -2.327724751e+00 -2.327724751e+00 3.34 -2.291253350e+00 -2.291253350e+00 3.36 -2.254065303e+00 -2.254065303e+00 3.38 -2.216222604e+00 -2.216222604e+00 3.40 -2.177784646e+00 -2.177784646e+00 3.42 -2.138810806e+00 -2.138810806e+00 3.44 -2.099358686e+00 -2.099358686e+00 3.46 -2.059485339e+00 -2.059485339e+00 3.48 -2.019246258e+00 -2.019246258e+00 3.50 -1.978694685e+00 -1.978694685e+00 3.52 -1.937881095e+00 -1.937881095e+00 3.54 -1.896852997e+00 -1.896852997e+00 3.56 -1.855655133e+00 -1.855655133e+00 3.58 -1.814330076e+00 -1.814330076e+00 3.60 -1.772919187e+00 -1.772919187e+00 3.62 -1.731463840e+00 -1.731463840e+00 3.64 -1.690006807e+00 -1.690006807e+00 3.66 -1.648593658e+00 -1.648593658e+00 3.68 -1.607274040e+00 -1.607274040e+00 3.70 -1.566102685e+00 -1.566102685e+00 3.72 -1.525140008e+00 -1.525140008e+00 3.74 -1.484452205e+00 -1.484452205e+00 3.76 -1.444110790e+00 -1.444110790e+00 3.78 -1.404191578e+00 -1.404191578e+00 3.80 -1.364773139e+00 -1.364773139e+00 3.82 -1.325934803e+00 -1.325934803e+00 3.84 -1.287754276e+00 -1.287754276e+00 3.86 -1.250304986e+00 -1.250304986e+00 3.88 -1.213653301e+00 -1.213653301e+00 3.90 -1.177855836e+00 -1.177855836e+00 3.92 -1.142956334e+00 -1.142956334e+00 3.94 -1.108987186e+00 -1.108987186e+00 3.96 -1.075963428e+00 -1.075963428e+00 3.98 -1.043886376e+00 -1.043886376e+00 4.00 -1.012743596e+00 -1.012743596e+00 4.02 -9.825105563e-01 -9.825105563e-01 4.04 -9.531527314e-01 -9.531527314e-01 4.06 -9.246278934e-01 -9.246278934e-01 4.08 -8.968883559e-01 -8.968883559e-01 4.10 -8.698810021e-01 -8.698810021e-01 4.12 -8.435573645e-01 -8.435573645e-01 4.14 -8.178618969e-01 -8.178618969e-01 4.16 -7.927423540e-01 -7.927423540e-01 4.18 -7.681483118e-01 -7.681483118e-01 4.20 -7.440320334e-01 -7.440320334e-01 4.22 -7.203493209e-01 -7.203493209e-01 4.24 -6.970604203e-01 -6.970604203e-01 4.26 -6.741310172e-01 -6.741310172e-01 4.28 -6.515333305e-01 -6.515333305e-01 4.30 -6.292472669e-01 -6.292472669e-01 4.32 -6.072615615e-01 -6.072615615e-01 4.34 -5.855747828e-01 -5.855747828e-01 4.36 -5.641960552e-01 -5.641960552e-01 4.38 -5.431453289e-01 -5.431453289e-01 4.40 -5.224530411e-01 -5.224530411e-01 4.42 -5.021590498e-01 -5.021590498e-01 4.44 -4.823107952e-01 -4.823107952e-01 4.46 -4.629607443e-01 -4.629607443e-01 4.48 -4.441632824e-01 -4.441632824e-01 4.50 -4.259713146e-01 -4.259713146e-01 4.52 -4.084329050e-01 -4.084329050e-01 4.54 -3.915882931e-01 -3.915882931e-01 4.56 -3.754675792e-01 -3.754675792e-01 4.58 -3.600892786e-01 -3.600892786e-01 4.60 -3.454598171e-01 -3.454598171e-01 4.62 -3.315739178e-01 -3.315739178e-01 4.64 -3.184157263e-01 -3.184157263e-01 4.66 -3.059604576e-01 -3.059604576e-01 4.68 -2.941763310e-01 -2.941763310e-01 4.70 -2.830265734e-01 -2.830265734e-01 4.72 -2.724713171e-01 -2.724713171e-01 4.74 -2.624692730e-01 -2.624692730e-01 4.76 -2.529791111e-01 -2.529791111e-01 4.78 -2.439605295e-01 -2.439605295e-01 4.80 -2.353734751e-01 -2.353734751e-01 4.82 -2.271850997e-01 -2.271850997e-01 4.84 -2.193599667e-01 -2.193599667e-01 4.86 -2.118672002e-01 -2.118672002e-01 4.88 -2.046786366e-01 -2.046786366e-01 4.90 -1.977687378e-01 -1.977687378e-01 4.92 -1.911144519e-01 -1.911144519e-01 4.94 -1.846950477e-01 -1.846950477e-01 4.96 -1.784919458e-01 -1.784919458e-01 4.98 -1.724885557e-01 -1.724885557e-01 5.00 -1.666701292e-01 -1.666701292e-01 5.02 -1.610236352e-01 -1.610236352e-01 5.04 -1.555376582e-01 -1.555376582e-01 5.06 -1.502023192e-01 -1.502023192e-01 5.08 -1.450092155e-01 -1.450092155e-01 5.10 -1.399513721e-01 -1.399513721e-01 5.12 -1.350232012e-01 -1.350232012e-01 5.14 -1.302204593e-01 -1.302204593e-01 5.16 -1.255401921e-01 -1.255401921e-01 5.18 -1.209806592e-01 -1.209806592e-01 5.20 -1.165412299e-01 -1.165412299e-01 5.22 -1.122222442e-01 -1.122222442e-01 5.24 -1.080248371e-01 -1.080248371e-01 5.26 -1.039506827e-01 -1.039506827e-01 5.28 -1.000012893e-01 -1.000012893e-01 5.30 -9.617886836e-02 -9.617886836e-02 5.32 -9.248565043e-02 -9.248565043e-02 5.34 -8.892339922e-02 -8.892339922e-02 5.36 -8.549319610e-02 -8.549319610e-02 5.38 -8.219527081e-02 -8.219527081e-02 5.40 -7.902888856e-02 -7.902888856e-02 5.42 -7.599229774e-02 -7.599229774e-02 5.44 -7.308273696e-02 -7.308273696e-02 5.46 -7.029649463e-02 -7.029649463e-02 5.48 -6.762901101e-02 -6.762901101e-02 5.50 -6.507501022e-02 -6.507501022e-02 5.52 -6.262864929e-02 -6.262864929e-02 5.54 -6.028367264e-02 -6.028367264e-02 5.56 -5.803356199e-02 -5.803356199e-02 5.58 -5.587167456e-02 -5.587167456e-02 5.60 -5.379136490e-02 -5.379136490e-02 5.62 -5.178608816e-02 -5.178608816e-02 5.64 -4.984948459e-02 -4.984948459e-02 5.66 -4.797544675e-02 -4.797544675e-02 5.68 -4.615817146e-02 -4.615817146e-02 5.70 -4.439219964e-02 -4.439219964e-02 5.72 -4.267244679e-02 -4.267244679e-02 5.74 -4.099422720e-02 -4.099422720e-02 5.76 -3.935327424e-02 -3.935327424e-02 5.78 -3.774575884e-02 -3.774575884e-02 5.80 -3.616830774e-02 -3.616830774e-02 5.82 -3.461802213e-02 -3.461802213e-02 5.84 -3.309249699e-02 -3.309249699e-02 5.86 -3.158984067e-02 -3.158984067e-02 5.88 -3.010869333e-02 -3.010869333e-02 5.90 -2.864824272e-02 -2.864824272e-02 5.92 -2.720823480e-02 -2.720823480e-02 5.94 -2.578897682e-02 -2.578897682e-02 5.96 -2.439132983e-02 -2.439132983e-02 5.98 -2.301668758e-02 -2.301668758e-02 6.00 -2.166694049e-02 -2.166694049e-02