# 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 = Co2MgPb # 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 2.745291544e+02 2.745291544e+02 1.30 2.543658472e+02 2.543658472e+02 1.32 2.357124048e+02 2.357124048e+02 1.34 2.184462094e+02 2.184462094e+02 1.36 2.024558507e+02 2.024558507e+02 1.38 1.876398669e+02 1.876398669e+02 1.40 1.739058234e+02 1.739058234e+02 1.42 1.611695938e+02 1.611695938e+02 1.44 1.493544126e+02 1.493544126e+02 1.46 1.383899082e+02 1.383899082e+02 1.48 1.282114577e+02 1.282114577e+02 1.50 1.187597321e+02 1.187597321e+02 1.52 1.099802338e+02 1.099802338e+02 1.54 1.018228252e+02 1.018228252e+02 1.56 9.424132528e+01 9.424132528e+01 1.58 8.719318529e+01 8.719318529e+01 1.60 8.063919455e+01 8.063919455e+01 1.62 7.454323608e+01 7.454323608e+01 1.64 6.887429783e+01 6.887429783e+01 1.66 6.360929436e+01 6.360929436e+01 1.68 5.872003579e+01 5.872003579e+01 1.70 5.417960452e+01 5.417960452e+01 1.72 4.996296265e+01 4.996296265e+01 1.74 4.604671618e+01 4.604671618e+01 1.76 4.240899056e+01 4.240899056e+01 1.78 3.902943761e+01 3.902943761e+01 1.80 3.588931177e+01 3.588931177e+01 1.82 3.297151032e+01 3.297151032e+01 1.84 3.026047677e+01 3.026047677e+01 1.86 2.774199578e+01 2.774199578e+01 1.88 2.540295750e+01 2.540295750e+01 1.90 2.323114741e+01 2.323114741e+01 1.92 2.121509985e+01 2.121509985e+01 1.94 1.934402707e+01 1.934402707e+01 1.96 1.760779784e+01 1.760779784e+01 1.98 1.599694227e+01 1.599694227e+01 2.00 1.450264195e+01 1.450264195e+01 2.02 1.311670155e+01 1.311670155e+01 2.04 1.183151225e+01 1.183151225e+01 2.06 1.064001672e+01 1.064001672e+01 2.08 9.535673934e+00 9.535673934e+00 2.10 8.512424950e+00 8.512424950e+00 2.12 7.564656512e+00 7.564656512e+00 2.14 6.687162956e+00 6.687162956e+00 2.16 5.875114123e+00 5.875114123e+00 2.18 5.124028505e+00 5.124028505e+00 2.20 4.429749596e+00 4.429749596e+00 2.22 3.788422134e+00 3.788422134e+00 2.24 3.196466117e+00 3.196466117e+00 2.26 2.650550429e+00 2.650550429e+00 2.28 2.147564022e+00 2.147564022e+00 2.30 1.684596908e+00 1.684596908e+00 2.32 1.258911918e+00 1.258911918e+00 2.34 8.679344662e-01 8.679344662e-01 2.36 5.092365402e-01 5.092365402e-01 2.38 1.805319406e-01 1.805319406e-01 2.40 -1.203259482e-01 -1.203259482e-01 2.42 -3.953459756e-01 -3.953459756e-01 2.44 -6.464142369e-01 -6.464142369e-01 2.46 -8.753595073e-01 -8.753595073e-01 2.48 -1.083734752e+00 -1.083734752e+00 2.50 -1.272964155e+00 -1.272964155e+00 2.52 -1.444388023e+00 -1.444388023e+00 2.54 -1.599268346e+00 -1.599268346e+00 2.56 -1.738796879e+00 -1.738796879e+00 2.58 -1.864103194e+00 -1.864103194e+00 2.60 -1.976256905e+00 -1.976256905e+00 2.62 -2.076203387e+00 -2.076203387e+00 2.64 -2.164749498e+00 -2.164749498e+00 2.66 -2.242648138e+00 -2.242648138e+00 2.68 -2.310601184e+00 -2.310601184e+00 2.70 -2.369258984e+00 -2.369258984e+00 2.72 -2.419226811e+00 -2.419226811e+00 2.74 -2.461073192e+00 -2.461073192e+00 2.76 -2.495336853e+00 -2.495336853e+00 2.78 -2.522530590e+00 -2.522530590e+00 2.80 -2.543144477e+00 -2.543144477e+00 2.82 -2.557643643e+00 -2.557643643e+00 2.84 -2.566469604e+00 -2.566469604e+00 2.86 -2.570039657e+00 -2.570039657e+00 2.88 -2.568747509e+00 -2.568747509e+00 2.90 -2.562964968e+00 -2.562964968e+00 2.92 -2.553044863e+00 -2.553044863e+00 2.94 -2.539325148e+00 -2.539325148e+00 2.96 -2.522133812e+00 -2.522133812e+00 2.98 -2.501793804e+00 -2.501793804e+00 3.00 -2.478647490e+00 -2.478647490e+00 3.02 -2.453030048e+00 -2.453030048e+00 3.04 -2.425219265e+00 -2.425219265e+00 3.06 -2.395494640e+00 -2.395494640e+00 3.08 -2.364124504e+00 -2.364124504e+00 3.10 -2.331359369e+00 -2.331359369e+00 3.12 -2.297423802e+00 -2.297423802e+00 3.14 -2.262517923e+00 -2.262517923e+00 3.16 -2.226812821e+00 -2.226812821e+00 3.18 -2.190464858e+00 -2.190464858e+00 3.20 -2.153583999e+00 -2.153583999e+00 3.22 -2.116266788e+00 -2.116266788e+00 3.24 -2.078605534e+00 -2.078605534e+00 3.26 -2.040688347e+00 -2.040688347e+00 3.28 -2.002598635e+00 -2.002598635e+00 3.30 -1.964414477e+00 -1.964414477e+00 3.32 -1.926207981e+00 -1.926207981e+00 3.34 -1.888035632e+00 -1.888035632e+00 3.36 -1.849926471e+00 -1.849926471e+00 3.38 -1.811906855e+00 -1.811906855e+00 3.40 -1.774003446e+00 -1.774003446e+00 3.42 -1.736243670e+00 -1.736243670e+00 3.44 -1.698653915e+00 -1.698653915e+00 3.46 -1.661260425e+00 -1.661260425e+00 3.48 -1.624088855e+00 -1.624088855e+00 3.50 -1.587164083e+00 -1.587164083e+00 3.52 -1.550510001e+00 -1.550510001e+00 3.54 -1.514149333e+00 -1.514149333e+00 3.56 -1.478103514e+00 -1.478103514e+00 3.58 -1.442392695e+00 -1.442392695e+00 3.60 -1.407035900e+00 -1.407035900e+00 3.62 -1.372051335e+00 -1.372051335e+00 3.64 -1.337456824e+00 -1.337456824e+00 3.66 -1.303270315e+00 -1.303270315e+00 3.68 -1.269510355e+00 -1.269510355e+00 3.70 -1.236196445e+00 -1.236196445e+00 3.72 -1.203349171e+00 -1.203349171e+00 3.74 -1.170990059e+00 -1.170990059e+00 3.76 -1.139141146e+00 -1.139141146e+00 3.78 -1.107824315e+00 -1.107824315e+00 3.80 -1.077060505e+00 -1.077060505e+00 3.82 -1.046868896e+00 -1.046868896e+00 3.84 -1.017266187e+00 -1.017266187e+00 3.86 -9.882660309e-01 -9.882660309e-01 3.88 -9.598786550e-01 -9.598786550e-01 3.90 -9.321106570e-01 -9.321106570e-01 3.92 -9.049645118e-01 -9.049645118e-01 3.94 -8.784405648e-01 -8.784405648e-01 3.96 -8.525342616e-01 -8.525342616e-01 3.98 -8.272385687e-01 -8.272385687e-01 4.00 -8.025438227e-01 -8.025438227e-01 4.02 -7.784382031e-01 -7.784382031e-01 4.04 -7.549082524e-01 -7.549082524e-01 4.06 -7.319394265e-01 -7.319394265e-01 4.08 -7.095166702e-01 -7.095166702e-01 4.10 -6.876237781e-01 -6.876237781e-01 4.12 -6.662491657e-01 -6.662491657e-01 4.14 -6.453783647e-01 -6.453783647e-01 4.16 -6.250003498e-01 -6.250003498e-01 4.18 -6.051065857e-01 -6.051065857e-01 4.20 -5.856914792e-01 -5.856914792e-01 4.22 -5.667526465e-01 -5.667526465e-01 4.24 -5.482909094e-01 -5.482909094e-01 4.26 -5.303099558e-01 -5.303099558e-01 4.28 -5.128156354e-01 -5.128156354e-01 4.30 -4.958149223e-01 -4.958149223e-01 4.32 -4.793146460e-01 -4.793146460e-01 4.34 -4.633201491e-01 -4.633201491e-01 4.36 -4.478340595e-01 -4.478340595e-01 4.38 -4.328553488e-01 -4.328553488e-01 4.40 -4.183787908e-01 -4.183787908e-01 4.42 -4.043948601e-01 -4.043948601e-01 4.44 -3.908900240e-01 -3.908900240e-01 4.46 -3.778473296e-01 -3.778473296e-01 4.48 -3.652471573e-01 -3.652471573e-01 4.50 -3.530680163e-01 -3.530680163e-01 4.52 -3.412872887e-01 -3.412872887e-01 4.54 -3.298818588e-01 -3.298818588e-01 4.56 -3.188286040e-01 -3.188286040e-01 4.58 -3.081047499e-01 -3.081047499e-01 4.60 -2.976881113e-01 -2.976881113e-01 4.62 -2.875572488e-01 -2.875572488e-01 4.64 -2.776915772e-01 -2.776915772e-01 4.66 -2.680714566e-01 -2.680714566e-01 4.68 -2.586782967e-01 -2.586782967e-01 4.70 -2.494946956e-01 -2.494946956e-01 4.72 -2.405046318e-01 -2.405046318e-01 4.74 -2.316937186e-01 -2.316937186e-01 4.76 -2.230495207e-01 -2.230495207e-01 4.78 -2.145619261e-01 -2.145619261e-01 4.80 -2.062225860e-01 -2.062225860e-01 4.82 -1.980293186e-01 -1.980293186e-01 4.84 -1.899801907e-01 -1.899801907e-01 4.86 -1.820781241e-01 -1.820781241e-01 4.88 -1.743298069e-01 -1.743298069e-01 4.90 -1.667455178e-01 -1.667455178e-01 4.92 -1.593386754e-01 -1.593386754e-01 4.94 -1.521251010e-01 -1.521251010e-01 4.96 -1.451220236e-01 -1.451220236e-01 4.98 -1.383469033e-01 -1.383469033e-01 5.00 -1.318161860e-01 -1.318161860e-01 5.02 -1.255441193e-01 -1.255441193e-01 5.04 -1.195417604e-01 -1.195417604e-01 5.06 -1.138162786e-01 -1.138162786e-01 5.08 -1.083706132e-01 -1.083706132e-01 5.10 -1.032034963e-01 -1.032034963e-01 5.12 -9.830979718e-02 -9.830979718e-02 5.14 -9.368111157e-02 -9.368111157e-02 5.16 -8.930649866e-02 -8.930649866e-02 5.18 -8.517296509e-02 -8.517296509e-02 5.20 -8.126679156e-02 -8.126679156e-02 5.22 -7.757418880e-02 -7.757418880e-02 5.24 -7.408149432e-02 -7.408149432e-02 5.26 -7.077559396e-02 -7.077559396e-02 5.28 -6.764419491e-02 -6.764419491e-02 5.30 -6.467593568e-02 -6.467593568e-02 5.32 -6.185995477e-02 -6.185995477e-02 5.34 -5.918699700e-02 -5.918699700e-02 5.36 -5.664886032e-02 -5.664886032e-02 5.38 -5.423799670e-02 -5.423799670e-02 5.40 -5.194741021e-02 -5.194741021e-02 5.42 -4.977055570e-02 -4.977055570e-02 5.44 -4.770124730e-02 -4.770124730e-02 5.46 -4.573358112e-02 -4.573358112e-02 5.48 -4.386187366e-02 -4.386187366e-02 5.50 -4.208061547e-02 -4.208061547e-02 5.52 -4.038443858e-02 -4.038443858e-02 5.54 -3.876809608e-02 -3.876809608e-02 5.56 -3.722645234e-02 -3.722645234e-02 5.58 -3.575448229e-02 -3.575448229e-02 5.60 -3.434727844e-02 -3.434727844e-02 5.62 -3.300006405e-02 -3.300006405e-02 5.64 -3.170821077e-02 -3.170821077e-02 5.66 -3.046725913e-02 -3.046725913e-02 5.68 -2.927294020e-02 -2.927294020e-02 5.70 -2.812119690e-02 -2.812119690e-02 5.72 -2.700820412e-02 -2.700820412e-02 5.74 -2.593038675e-02 -2.593038675e-02 5.76 -2.488443558e-02 -2.488443558e-02 5.78 -2.386732091e-02 -2.386732091e-02 5.80 -2.287630409e-02 -2.287630409e-02 5.82 -2.190894765e-02 -2.190894765e-02 5.84 -2.096312390e-02 -2.096312390e-02 5.86 -2.003702233e-02 -2.003702233e-02 5.88 -1.912915541e-02 -1.912915541e-02 5.90 -1.823836273e-02 -1.823836273e-02 5.92 -1.736381235e-02 -1.736381235e-02 5.94 -1.650499886e-02 -1.650499886e-02 5.96 -1.566173689e-02 -1.566173689e-02 5.98 -1.483414900e-02 -1.483414900e-02 6.00 -1.402264714e-02 -1.402264714e-02