# 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 = Co2PbPd # 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 2.567526099e+02 2.567526099e+02 1.30 2.380719593e+02 2.380719593e+02 1.32 2.207642955e+02 2.207642955e+02 1.34 2.047197498e+02 2.047197498e+02 1.36 1.898375352e+02 1.898375352e+02 1.38 1.760247385e+02 1.760247385e+02 1.40 1.631962001e+02 1.631962001e+02 1.42 1.512747476e+02 1.512747476e+02 1.44 1.401911387e+02 1.401911387e+02 1.46 1.298835122e+02 1.298835122e+02 1.48 1.202960668e+02 1.202960668e+02 1.50 1.113771899e+02 1.113771899e+02 1.52 1.030780666e+02 1.030780666e+02 1.54 9.535241384e+01 9.535241384e+01 1.56 8.815683597e+01 8.815683597e+01 1.58 8.145116266e+01 8.145116266e+01 1.60 7.519854638e+01 7.519854638e+01 1.62 6.936547958e+01 6.936547958e+01 1.64 6.392176434e+01 6.392176434e+01 1.66 5.884052972e+01 5.884052972e+01 1.68 5.411476853e+01 5.411476853e+01 1.70 4.973254199e+01 4.973254199e+01 1.72 4.566933432e+01 4.566933432e+01 1.74 4.190185261e+01 4.190185261e+01 1.76 3.840809595e+01 3.840809595e+01 1.78 3.516755452e+01 3.516755452e+01 1.80 3.216139277e+01 3.216139277e+01 1.82 2.937251928e+01 2.937251928e+01 1.84 2.678548427e+01 2.678548427e+01 1.86 2.438623648e+01 2.438623648e+01 1.88 2.216183198e+01 2.216183198e+01 1.90 2.010018328e+01 2.010018328e+01 1.92 1.818992074e+01 1.818992074e+01 1.94 1.642038771e+01 1.642038771e+01 1.96 1.478167994e+01 1.478167994e+01 1.98 1.326464966e+01 1.326464966e+01 2.00 1.186082664e+01 1.186082664e+01 2.02 1.056230164e+01 1.056230164e+01 2.04 9.361639652e+00 9.361639652e+00 2.06 8.251852233e+00 8.251852233e+00 2.08 7.226407255e+00 7.226407255e+00 2.10 6.279239043e+00 6.279239043e+00 2.12 5.404744091e+00 5.404744091e+00 2.14 4.597756055e+00 4.597756055e+00 2.16 3.853514836e+00 3.853514836e+00 2.18 3.167636727e+00 3.167636727e+00 2.20 2.536085926e+00 2.536085926e+00 2.22 1.955148063e+00 1.955148063e+00 2.24 1.421400567e+00 1.421400567e+00 2.26 9.316813583e-01 9.316813583e-01 2.28 4.830559770e-01 4.830559770e-01 2.30 7.278969073e-02 7.278969073e-02 2.32 -3.016840335e-01 -3.016840335e-01 2.34 -6.427823624e-01 -6.427823624e-01 2.36 -9.527960896e-01 -9.527960896e-01 2.38 -1.233903785e+00 -1.233903785e+00 2.40 -1.488182654e+00 -1.488182654e+00 2.42 -1.717615627e+00 -1.717615627e+00 2.44 -1.924095139e+00 -1.924095139e+00 2.46 -2.109422831e+00 -2.109422831e+00 2.48 -2.275305218e+00 -2.275305218e+00 2.50 -2.423423053e+00 -2.423423053e+00 2.52 -2.555234265e+00 -2.555234265e+00 2.54 -2.672003079e+00 -2.672003079e+00 2.56 -2.774896460e+00 -2.774896460e+00 2.58 -2.864988858e+00 -2.864988858e+00 2.60 -2.943490270e+00 -2.943490270e+00 2.62 -3.011477833e+00 -3.011477833e+00 2.64 -3.069588965e+00 -3.069588965e+00 2.66 -3.118393737e+00 -3.118393737e+00 2.68 -3.158336281e+00 -3.158336281e+00 2.70 -3.189836637e+00 -3.189836637e+00 2.72 -3.213310965e+00 -3.213310965e+00 2.74 -3.229171902e+00 -3.229171902e+00 2.76 -3.237849769e+00 -3.237849769e+00 2.78 -3.239807113e+00 -3.239807113e+00 2.80 -3.235498547e+00 -3.235498547e+00 2.82 -3.225367049e+00 -3.225367049e+00 2.84 -3.209847512e+00 -3.209847512e+00 2.86 -3.189368754e+00 -3.189368754e+00 2.88 -3.164355279e+00 -3.164355279e+00 2.90 -3.135227967e+00 -3.135227967e+00 2.92 -3.102403224e+00 -3.102403224e+00 2.94 -3.066290592e+00 -3.066290592e+00 2.96 -3.027289348e+00 -3.027289348e+00 2.98 -2.985784985e+00 -2.985784985e+00 3.00 -2.942146168e+00 -2.942146168e+00 3.02 -2.896722082e+00 -2.896722082e+00 3.04 -2.849857534e+00 -2.849857534e+00 3.06 -2.801871418e+00 -2.801871418e+00 3.08 -2.752993642e+00 -2.752993642e+00 3.10 -2.703428779e+00 -2.703428779e+00 3.12 -2.653353277e+00 -2.653353277e+00 3.14 -2.602918466e+00 -2.602918466e+00 3.16 -2.552249377e+00 -2.552249377e+00 3.18 -2.501452777e+00 -2.501452777e+00 3.20 -2.450618980e+00 -2.450618980e+00 3.22 -2.399818462e+00 -2.399818462e+00 3.24 -2.349113332e+00 -2.349113332e+00 3.26 -2.298561864e+00 -2.298561864e+00 3.28 -2.248218636e+00 -2.248218636e+00 3.30 -2.198134697e+00 -2.198134697e+00 3.32 -2.148357949e+00 -2.148357949e+00 3.34 -2.098933717e+00 -2.098933717e+00 3.36 -2.049905326e+00 -2.049905326e+00 3.38 -2.001314536e+00 -2.001314536e+00 3.40 -1.953201505e+00 -1.953201505e+00 3.42 -1.905605401e+00 -1.905605401e+00 3.44 -1.858562814e+00 -1.858562814e+00 3.46 -1.812108052e+00 -1.812108052e+00 3.48 -1.766272326e+00 -1.766272326e+00 3.50 -1.721083201e+00 -1.721083201e+00 3.52 -1.676564174e+00 -1.676564174e+00 3.54 -1.632734420e+00 -1.632734420e+00 3.56 -1.589608745e+00 -1.589608745e+00 3.58 -1.547197766e+00 -1.547197766e+00 3.60 -1.505508303e+00 -1.505508303e+00 3.62 -1.464543979e+00 -1.464543979e+00 3.64 -1.424305963e+00 -1.424305963e+00 3.66 -1.384793791e+00 -1.384793791e+00 3.68 -1.346006169e+00 -1.346006169e+00 3.70 -1.307941642e+00 -1.307941642e+00 3.72 -1.270599030e+00 -1.270599030e+00 3.74 -1.233977567e+00 -1.233977567e+00 3.76 -1.198076733e+00 -1.198076733e+00 3.78 -1.162895826e+00 -1.162895826e+00 3.80 -1.128433378e+00 -1.128433378e+00 3.82 -1.094686569e+00 -1.094686569e+00 3.84 -1.061650738e+00 -1.061650738e+00 3.86 -1.029319108e+00 -1.029319108e+00 3.88 -9.976827637e-01 -9.976827637e-01 3.90 -9.667308713e-01 -9.667308713e-01 3.92 -9.364507817e-01 -9.364507817e-01 3.94 -9.068300623e-01 -9.068300623e-01 3.96 -8.778549569e-01 -8.778549569e-01 3.98 -8.495127421e-01 -8.495127421e-01 4.00 -8.217920770e-01 -8.217920770e-01 4.02 -7.946837211e-01 -7.946837211e-01 4.04 -7.681811361e-01 -7.681811361e-01 4.06 -7.422809061e-01 -7.422809061e-01 4.08 -7.169829186e-01 -7.169829186e-01 4.10 -6.922892956e-01 -6.922892956e-01 4.12 -6.682080509e-01 -6.682080509e-01 4.14 -6.447460795e-01 -6.447460795e-01 4.16 -6.219128068e-01 -6.219128068e-01 4.18 -5.997181052e-01 -5.997181052e-01 4.20 -5.781714188e-01 -5.781714188e-01 4.22 -5.572809868e-01 -5.572809868e-01 4.24 -5.370531901e-01 -5.370531901e-01 4.26 -5.174920027e-01 -5.174920027e-01 4.28 -4.985984967e-01 -4.985984967e-01 4.30 -4.803703592e-01 -4.803703592e-01 4.32 -4.628014129e-01 -4.628014129e-01 4.34 -4.458811818e-01 -4.458811818e-01 4.36 -4.295945859e-01 -4.295945859e-01 4.38 -4.139218559e-01 -4.139218559e-01 4.40 -3.988387365e-01 -3.988387365e-01 4.42 -3.843169954e-01 -3.843169954e-01 4.44 -3.703251963e-01 -3.703251963e-01 4.46 -3.568296548e-01 -3.568296548e-01 4.48 -3.437954717e-01 -3.437954717e-01 4.50 -3.311875511e-01 -3.311875511e-01 4.52 -3.189715284e-01 -3.189715284e-01 4.54 -3.071145693e-01 -3.071145693e-01 4.56 -2.955860238e-01 -2.955860238e-01 4.58 -2.843579437e-01 -2.843579437e-01 4.60 -2.734054775e-01 -2.734054775e-01 4.62 -2.627071605e-01 -2.627071605e-01 4.64 -2.522451132e-01 -2.522451132e-01 4.66 -2.420051519e-01 -2.420051519e-01 4.68 -2.319768130e-01 -2.319768130e-01 4.70 -2.221532862e-01 -2.221532862e-01 4.72 -2.125312555e-01 -2.125312555e-01 4.74 -2.031106517e-01 -2.031106517e-01 4.76 -1.938943298e-01 -1.938943298e-01 4.78 -1.848876926e-01 -1.848876926e-01 4.80 -1.760975126e-01 -1.760975126e-01 4.82 -1.675347642e-01 -1.675347642e-01 4.84 -1.592091936e-01 -1.592091936e-01 4.86 -1.511324898e-01 -1.511324898e-01 4.88 -1.433170203e-01 -1.433170203e-01 4.90 -1.357754738e-01 -1.357754738e-01 4.92 -1.285204548e-01 -1.285204548e-01 4.94 -1.215639966e-01 -1.215639966e-01 4.96 -1.149169895e-01 -1.149169895e-01 4.98 -1.085885449e-01 -1.085885449e-01 5.00 -1.025853464e-01 -1.025853464e-01 5.02 -9.691106973e-02 -9.691106973e-02 5.04 -9.156594687e-02 -9.156594687e-02 5.06 -8.654654288e-02 -8.654654288e-02 5.08 -8.184542524e-02 -8.184542524e-02 5.10 -7.745188542e-02 -7.745188542e-02 5.12 -7.335303358e-02 -7.335303358e-02 5.14 -6.953355319e-02 -6.953355319e-02 5.16 -6.597644762e-02 -6.597644762e-02 5.18 -6.266379677e-02 -6.266379677e-02 5.20 -5.957744533e-02 -5.957744533e-02 5.22 -5.669957435e-02 -5.669957435e-02 5.24 -5.401314058e-02 -5.401314058e-02 5.26 -5.150217652e-02 -5.150217652e-02 5.28 -4.915196111e-02 -4.915196111e-02 5.30 -4.694907647e-02 -4.694907647e-02 5.32 -4.488132755e-02 -4.488132755e-02 5.34 -4.293779027e-02 -4.293779027e-02 5.36 -4.110863660e-02 -4.110863660e-02 5.38 -3.938496375e-02 -3.938496375e-02 5.40 -3.775865906e-02 -3.775865906e-02 5.42 -3.622227595e-02 -3.622227595e-02 5.44 -3.476892759e-02 -3.476892759e-02 5.46 -3.339220133e-02 -3.339220133e-02 5.48 -3.208609369e-02 -3.208609369e-02 5.50 -3.084496359e-02 -3.084496359e-02 5.52 -2.966350044e-02 -2.966350044e-02 5.54 -2.853670327e-02 -2.853670327e-02 5.56 -2.745986744e-02 -2.745986744e-02 5.58 -2.642857580e-02 -2.642857580e-02 5.60 -2.543869205e-02 -2.543869205e-02 5.62 -2.448635491e-02 -2.448635491e-02 5.64 -2.356797208e-02 -2.356797208e-02 5.66 -2.268021394e-02 -2.268021394e-02 5.68 -2.182000706e-02 -2.182000706e-02 5.70 -2.098452784e-02 -2.098452784e-02 5.72 -2.017119678e-02 -2.017119678e-02 5.74 -1.937767396e-02 -1.937767396e-02 5.76 -1.860185611e-02 -1.860185611e-02 5.78 -1.784187561e-02 -1.784187561e-02 5.80 -1.709610156e-02 -1.709610156e-02 5.82 -1.636314284e-02 -1.636314284e-02 5.84 -1.564185289e-02 -1.564185289e-02 5.86 -1.493133563e-02 -1.493133563e-02 5.88 -1.423095166e-02 -1.423095166e-02 5.90 -1.354032389e-02 -1.354032389e-02 5.92 -1.285934111e-02 -1.285934111e-02 5.94 -1.218814821e-02 -1.218814821e-02 5.96 -1.152710218e-02 -1.152710218e-02 5.98 -1.087687602e-02 -1.087687602e-02 6.00 -1.023838863e-02 -1.023838863e-02