# 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 = CoCu2Ti # 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 1.375638578e+02 1.375638578e+02 1.30 1.264268790e+02 1.264268790e+02 1.32 1.161682925e+02 1.161682925e+02 1.34 1.067134566e+02 1.067134566e+02 1.36 9.799534498e+01 9.799534498e+01 1.38 8.995415666e+01 8.995415666e+01 1.40 8.253594728e+01 8.253594728e+01 1.42 7.569145858e+01 7.569145858e+01 1.44 6.937533815e+01 6.937533815e+01 1.46 6.354561013e+01 6.354561013e+01 1.48 5.816335250e+01 5.816335250e+01 1.50 5.319260340e+01 5.319260340e+01 1.52 4.860036294e+01 4.860036294e+01 1.54 4.435648171e+01 4.435648171e+01 1.56 4.043342560e+01 4.043342560e+01 1.58 3.680607841e+01 3.680607841e+01 1.60 3.345169456e+01 3.345169456e+01 1.62 3.034994344e+01 3.034994344e+01 1.64 2.748291676e+01 2.748291676e+01 1.66 2.483493437e+01 2.483493437e+01 1.68 2.239114606e+01 2.239114606e+01 1.70 2.013701680e+01 2.013701680e+01 1.72 1.805868210e+01 1.805868210e+01 1.74 1.614282841e+01 1.614282841e+01 1.76 1.437681616e+01 1.437681616e+01 1.78 1.274884928e+01 1.274884928e+01 1.80 1.124812469e+01 1.124812469e+01 1.82 9.864908400e+00 9.864908400e+00 1.84 8.590487523e+00 8.590487523e+00 1.86 7.417003811e+00 7.417003811e+00 1.88 6.337231397e+00 6.337231397e+00 1.90 5.344377409e+00 5.344377409e+00 1.92 4.431961524e+00 4.431961524e+00 1.94 3.593802619e+00 3.593802619e+00 1.96 2.824099677e+00 2.824099677e+00 1.98 2.117547390e+00 2.117547390e+00 2.00 1.469405803e+00 1.469405803e+00 2.02 8.754786675e-01 8.754786675e-01 2.04 3.320161134e-01 3.320161134e-01 2.06 -1.644046341e-01 -1.644046341e-01 2.08 -6.169707713e-01 -6.169707713e-01 2.10 -1.028680475e+00 -1.028680475e+00 2.12 -1.402359031e+00 -1.402359031e+00 2.14 -1.740667760e+00 -1.740667760e+00 2.16 -2.046117771e+00 -2.046117771e+00 2.18 -2.321089432e+00 -2.321089432e+00 2.20 -2.567853851e+00 -2.567853851e+00 2.22 -2.788593517e+00 -2.788593517e+00 2.24 -2.985418609e+00 -2.985418609e+00 2.26 -3.160376226e+00 -3.160376226e+00 2.28 -3.315450910e+00 -3.315450910e+00 2.30 -3.452553951e+00 -3.452553951e+00 2.32 -3.573499082e+00 -3.573499082e+00 2.34 -3.679962153e+00 -3.679962153e+00 2.36 -3.773434543e+00 -3.773434543e+00 2.38 -3.855187551e+00 -3.855187551e+00 2.40 -3.926277827e+00 -3.926277827e+00 2.42 -3.987603604e+00 -3.987603604e+00 2.44 -4.039792073e+00 -4.039792073e+00 2.46 -4.083414891e+00 -4.083414891e+00 2.48 -4.118940786e+00 -4.118940786e+00 2.50 -4.146809400e+00 -4.146809400e+00 2.52 -4.167476265e+00 -4.167476265e+00 2.54 -4.181411908e+00 -4.181411908e+00 2.56 -4.189047778e+00 -4.189047778e+00 2.58 -4.190734365e+00 -4.190734365e+00 2.60 -4.186844641e+00 -4.186844641e+00 2.62 -4.177749677e+00 -4.177749677e+00 2.64 -4.163951425e+00 -4.163951425e+00 2.66 -4.146096871e+00 -4.146096871e+00 2.68 -4.124100194e+00 -4.124100194e+00 2.70 -4.097928111e+00 -4.097928111e+00 2.72 -4.067641700e+00 -4.067641700e+00 2.74 -4.033376438e+00 -4.033376438e+00 2.76 -3.995318857e+00 -3.995318857e+00 2.78 -3.953682630e+00 -3.953682630e+00 2.80 -3.908695059e+00 -3.908695059e+00 2.82 -3.860619737e+00 -3.860619737e+00 2.84 -3.809713581e+00 -3.809713581e+00 2.86 -3.756209805e+00 -3.756209805e+00 2.88 -3.700326601e+00 -3.700326601e+00 2.90 -3.642276664e+00 -3.642276664e+00 2.92 -3.582275265e+00 -3.582275265e+00 2.94 -3.520546095e+00 -3.520546095e+00 2.96 -3.457325069e+00 -3.457325069e+00 2.98 -3.392862339e+00 -3.392862339e+00 3.00 -3.327422153e+00 -3.327422153e+00 3.02 -3.261279452e+00 -3.261279452e+00 3.04 -3.194712055e+00 -3.194712055e+00 3.06 -3.127988780e+00 -3.127988780e+00 3.08 -3.061354823e+00 -3.061354823e+00 3.10 -2.995018694e+00 -2.995018694e+00 3.12 -2.929143337e+00 -2.929143337e+00 3.14 -2.863843766e+00 -2.863843766e+00 3.16 -2.799190218e+00 -2.799190218e+00 3.18 -2.735215838e+00 -2.735215838e+00 3.20 -2.671925853e+00 -2.671925853e+00 3.22 -2.609306661e+00 -2.609306661e+00 3.24 -2.547333741e+00 -2.547333741e+00 3.26 -2.485978023e+00 -2.485978023e+00 3.28 -2.425210806e+00 -2.425210806e+00 3.30 -2.365007431e+00 -2.365007431e+00 3.32 -2.305349921e+00 -2.305349921e+00 3.34 -2.246228739e+00 -2.246228739e+00 3.36 -2.187643759e+00 -2.187643759e+00 3.38 -2.129604580e+00 -2.129604580e+00 3.40 -2.072130267e+00 -2.072130267e+00 3.42 -2.015248788e+00 -2.015248788e+00 3.44 -1.958996052e+00 -1.958996052e+00 3.46 -1.903414978e+00 -1.903414978e+00 3.48 -1.848554364e+00 -1.848554364e+00 3.50 -1.794467538e+00 -1.794467538e+00 3.52 -1.741210602e+00 -1.741210602e+00 3.54 -1.688840101e+00 -1.688840101e+00 3.56 -1.637410071e+00 -1.637410071e+00 3.58 -1.586968706e+00 -1.586968706e+00 3.60 -1.537555141e+00 -1.537555141e+00 3.62 -1.489196985e+00 -1.489196985e+00 3.64 -1.441909206e+00 -1.441909206e+00 3.66 -1.395694694e+00 -1.395694694e+00 3.68 -1.350546423e+00 -1.350546423e+00 3.70 -1.306450835e+00 -1.306450835e+00 3.72 -1.263391828e+00 -1.263391828e+00 3.74 -1.221354701e+00 -1.221354701e+00 3.76 -1.180329488e+00 -1.180329488e+00 3.78 -1.140313219e+00 -1.140313219e+00 3.80 -1.101310857e+00 -1.101310857e+00 3.82 -1.063334794e+00 -1.063334794e+00 3.84 -1.026402981e+00 -1.026402981e+00 3.86 -9.905359841e-01 -9.905359841e-01 3.88 -9.557533951e-01 -9.557533951e-01 3.90 -9.220701306e-01 -9.220701306e-01 3.92 -8.894931542e-01 -8.894931542e-01 3.94 -8.580191774e-01 -8.580191774e-01 3.96 -8.276332711e-01 -8.276332711e-01 3.98 -7.983088729e-01 -7.983088729e-01 4.00 -7.700086873e-01 -7.700086873e-01 4.02 -7.426863493e-01 -7.426863493e-01 4.04 -7.162885104e-01 -7.162885104e-01 4.06 -6.907570613e-01 -6.907570613e-01 4.08 -6.660312817e-01 -6.660312817e-01 4.10 -6.420497309e-01 -6.420497309e-01 4.12 -6.187522048e-01 -6.187522048e-01 4.14 -5.960808167e-01 -5.960808167e-01 4.16 -5.739815581e-01 -5.739815581e-01 4.18 -5.524053614e-01 -5.524053614e-01 4.20 -5.313091235e-01 -5.313091235e-01 4.22 -5.106566251e-01 -5.106566251e-01 4.24 -4.904193286e-01 -4.904193286e-01 4.26 -4.705770176e-01 -4.705770176e-01 4.28 -4.511182305e-01 -4.511182305e-01 4.30 -4.320404394e-01 -4.320404394e-01 4.32 -4.133499377e-01 -4.133499377e-01 4.34 -3.950614077e-01 -3.950614077e-01 4.36 -3.771971476e-01 -3.771971476e-01 4.38 -3.597859409e-01 -3.597859409e-01 4.40 -3.428615581e-01 -3.428615581e-01 4.42 -3.264608988e-01 -3.264608988e-01 4.44 -3.106218218e-01 -3.106218218e-01 4.46 -2.953807672e-01 -2.953807672e-01 4.48 -2.807703338e-01 -2.807703338e-01 4.50 -2.668170222e-01 -2.668170222e-01 4.52 -2.535393596e-01 -2.535393596e-01 4.54 -2.409465950e-01 -2.409465950e-01 4.56 -2.290380773e-01 -2.290380773e-01 4.58 -2.178033418e-01 -2.178033418e-01 4.60 -2.072228384e-01 -2.072228384e-01 4.62 -1.972691664e-01 -1.972691664e-01 4.64 -1.879086416e-01 -1.879086416e-01 4.66 -1.791030177e-01 -1.791030177e-01 4.68 -1.708112094e-01 -1.708112094e-01 4.70 -1.629908957e-01 -1.629908957e-01 4.72 -1.555997847e-01 -1.555997847e-01 4.74 -1.485969551e-01 -1.485969551e-01 4.76 -1.419441727e-01 -1.419441727e-01 4.78 -1.356061334e-01 -1.356061334e-01 4.80 -1.295510168e-01 -1.295510168e-01 4.82 -1.237510874e-01 -1.237510874e-01 4.84 -1.181826874e-01 -1.181826874e-01 4.86 -1.128265513e-01 -1.128265513e-01 4.88 -1.076677384e-01 -1.076677384e-01 4.90 -1.026954729e-01 -1.026954729e-01 4.92 -9.790283467e-02 -9.790283467e-02 4.94 -9.328629990e-02 -9.328629990e-02 4.96 -8.884514148e-02 -8.884514148e-02 4.98 -8.458071328e-02 -8.458071328e-02 5.00 -8.049566088e-02 -8.049566088e-02 5.02 -7.659311258e-02 -7.659311258e-02 5.04 -7.287591200e-02 -7.287591200e-02 5.06 -6.934595124e-02 -6.934595124e-02 5.08 -6.600364813e-02 -6.600364813e-02 5.10 -6.284750271e-02 -6.284750271e-02 5.12 -5.987418798e-02 -5.987418798e-02 5.14 -5.707848867e-02 -5.707848867e-02 5.16 -5.445339600e-02 -5.445339600e-02 5.18 -5.199038984e-02 -5.199038984e-02 5.20 -4.967978482e-02 -4.967978482e-02 5.22 -4.751109879e-02 -4.751109879e-02 5.24 -4.547340894e-02 -4.547340894e-02 5.26 -4.355567036e-02 -4.355567036e-02 5.28 -4.174698186e-02 -4.174698186e-02 5.30 -4.003679266e-02 -4.003679266e-02 5.32 -3.841505102e-02 -3.841505102e-02 5.34 -3.687230030e-02 -3.687230030e-02 5.36 -3.539973140e-02 -3.539973140e-02 5.38 -3.398920112e-02 -3.398920112e-02 5.40 -3.263322630e-02 -3.263322630e-02 5.42 -3.132496279e-02 -3.132496279e-02 5.44 -3.005817672e-02 -3.005817672e-02 5.46 -2.882721467e-02 -2.882721467e-02 5.48 -2.762697751e-02 -2.762697751e-02 5.50 -2.645290184e-02 -2.645290184e-02 5.52 -2.530095118e-02 -2.530095118e-02 5.54 -2.416761880e-02 -2.416761880e-02 5.56 -2.304994149e-02 -2.304994149e-02 5.58 -2.194552422e-02 -2.194552422e-02 5.60 -2.085257291e-02 -2.085257291e-02 5.62 -1.976993182e-02 -1.976993182e-02 5.64 -1.869712060e-02 -1.869712060e-02 5.66 -1.763436483e-02 -1.763436483e-02 5.68 -1.658261322e-02 -1.658261322e-02 5.70 -1.554353389e-02 -1.554353389e-02 5.72 -1.451948320e-02 -1.451948320e-02 5.74 -1.351344150e-02 -1.351344150e-02 5.76 -1.252891186e-02 -1.252891186e-02 5.78 -1.156967822e-02 -1.156967822e-02 5.80 -1.063983175e-02 -1.063983175e-02 5.82 -9.743582594e-03 -9.743582594e-03 5.84 -8.884976364e-03 -8.884976364e-03 5.86 -8.067703127e-03 -8.067703127e-03 5.88 -7.294927014e-03 -7.294927014e-03 5.90 -6.569149318e-03 -6.569149318e-03 5.92 -5.892114518e-03 -5.892114518e-03 5.94 -5.264763992e-03 -5.264763992e-03 5.96 -4.687237158e-03 -4.687237158e-03 5.98 -4.158915286e-03 -4.158915286e-03 6.00 -3.678499800e-03 -3.678499800e-03