# 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 = CuFeTa2 # 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 2.524835606e+02 2.524835606e+02 1.30 2.325391541e+02 2.325391541e+02 1.32 2.141343769e+02 2.141343769e+02 1.34 1.971385349e+02 1.971385349e+02 1.36 1.814369081e+02 1.814369081e+02 1.38 1.669278341e+02 1.669278341e+02 1.40 1.535201597e+02 1.535201597e+02 1.42 1.411314478e+02 1.411314478e+02 1.44 1.296863364e+02 1.296863364e+02 1.46 1.191147433e+02 1.191147433e+02 1.48 1.093501717e+02 1.093501717e+02 1.50 1.003286042e+02 1.003286042e+02 1.52 9.198836612e+01 9.198836612e+01 1.54 8.427097152e+01 8.427097152e+01 1.56 7.712249272e+01 7.712249272e+01 1.58 7.049475245e+01 7.049475245e+01 1.60 6.434579828e+01 6.434579828e+01 1.62 5.863953669e+01 5.863953669e+01 1.64 5.334476907e+01 5.334476907e+01 1.66 4.843402346e+01 4.843402346e+01 1.68 4.388250294e+01 4.388250294e+01 1.70 3.966728526e+01 3.966728526e+01 1.72 3.576677058e+01 3.576677058e+01 1.74 3.216034726e+01 3.216034726e+01 1.76 2.882825194e+01 2.882825194e+01 1.78 2.575157773e+01 2.575157773e+01 1.80 2.291583615e+01 2.291583615e+01 1.82 2.031127724e+01 2.031127724e+01 1.84 1.792135795e+01 1.792135795e+01 1.86 1.573039467e+01 1.573039467e+01 1.88 1.372365991e+01 1.372365991e+01 1.90 1.188717130e+01 1.188717130e+01 1.92 1.020763028e+01 1.020763028e+01 1.94 8.672150475e+00 8.672150475e+00 1.96 7.268162812e+00 7.268162812e+00 1.98 5.983479896e+00 5.983479896e+00 2.00 4.806498787e+00 4.806498787e+00 2.02 3.726496747e+00 3.726496747e+00 2.04 2.733933344e+00 2.733933344e+00 2.06 1.820657893e+00 1.820657893e+00 2.08 9.799512510e-01 9.799512510e-01 2.10 2.063940334e-01 2.063940334e-01 2.12 -5.043864504e-01 -5.043864504e-01 2.14 -1.156011945e+00 -1.156011945e+00 2.16 -1.751624529e+00 -1.751624529e+00 2.18 -2.294097446e+00 -2.294097446e+00 2.20 -2.786179579e+00 -2.786179579e+00 2.22 -3.230585900e+00 -3.230585900e+00 2.24 -3.630052381e+00 -3.630052381e+00 2.26 -3.987371674e+00 -3.987371674e+00 2.28 -4.305418420e+00 -4.305418420e+00 2.30 -4.587162893e+00 -4.587162893e+00 2.32 -4.835663050e+00 -4.835663050e+00 2.34 -5.054023897e+00 -5.054023897e+00 2.36 -5.245321778e+00 -5.245321778e+00 2.38 -5.412505422e+00 -5.412505422e+00 2.40 -5.558296498e+00 -5.558296498e+00 2.42 -5.685113224e+00 -5.685113224e+00 2.44 -5.794934989e+00 -5.794934989e+00 2.46 -5.889341972e+00 -5.889341972e+00 2.48 -5.970083385e+00 -5.970083385e+00 2.50 -6.038592584e+00 -6.038592584e+00 2.52 -6.096027315e+00 -6.096027315e+00 2.54 -6.143344825e+00 -6.143344825e+00 2.56 -6.181362547e+00 -6.181362547e+00 2.58 -6.210752163e+00 -6.210752163e+00 2.60 -6.231730158e+00 -6.231730158e+00 2.62 -6.244403153e+00 -6.244403153e+00 2.64 -6.248987815e+00 -6.248987815e+00 2.66 -6.245776083e+00 -6.245776083e+00 2.68 -6.235105974e+00 -6.235105974e+00 2.70 -6.217337593e+00 -6.217337593e+00 2.72 -6.192832696e+00 -6.192832696e+00 2.74 -6.161937376e+00 -6.161937376e+00 2.76 -6.124968619e+00 -6.124968619e+00 2.78 -6.082206132e+00 -6.082206132e+00 2.80 -6.033890524e+00 -6.033890524e+00 2.82 -5.980227718e+00 -5.980227718e+00 2.84 -5.921398055e+00 -5.921398055e+00 2.86 -5.857567563e+00 -5.857567563e+00 2.88 -5.788898769e+00 -5.788898769e+00 2.90 -5.715578425e+00 -5.715578425e+00 2.92 -5.637977394e+00 -5.637977394e+00 2.94 -5.556160091e+00 -5.556160091e+00 2.96 -5.470144144e+00 -5.470144144e+00 2.98 -5.379996067e+00 -5.379996067e+00 3.00 -5.285815806e+00 -5.285815806e+00 3.02 -5.187719275e+00 -5.187719275e+00 3.04 -5.085833385e+00 -5.085833385e+00 3.06 -4.980289269e+00 -4.980289269e+00 3.08 -4.871221142e+00 -4.871221142e+00 3.10 -4.758781639e+00 -4.758781639e+00 3.12 -4.643138988e+00 -4.643138988e+00 3.14 -4.524479645e+00 -4.524479645e+00 3.16 -4.403021694e+00 -4.403021694e+00 3.18 -4.278983692e+00 -4.278983692e+00 3.20 -4.152609517e+00 -4.152609517e+00 3.22 -4.024238209e+00 -4.024238209e+00 3.24 -3.894312243e+00 -3.894312243e+00 3.26 -3.763374991e+00 -3.763374991e+00 3.28 -3.632058468e+00 -3.632058468e+00 3.30 -3.501060798e+00 -3.501060798e+00 3.32 -3.371114453e+00 -3.371114453e+00 3.34 -3.242947976e+00 -3.242947976e+00 3.36 -3.117245218e+00 -3.117245218e+00 3.38 -2.994606761e+00 -2.994606761e+00 3.40 -2.875517959e+00 -2.875517959e+00 3.42 -2.760326941e+00 -2.760326941e+00 3.44 -2.649234303e+00 -2.649234303e+00 3.46 -2.542294442e+00 -2.542294442e+00 3.48 -2.439426984e+00 -2.439426984e+00 3.50 -2.340435794e+00 -2.340435794e+00 3.52 -2.245032711e+00 -2.245032711e+00 3.54 -2.152863312e+00 -2.152863312e+00 3.56 -2.063532581e+00 -2.063532581e+00 3.58 -1.976629010e+00 -1.976629010e+00 3.60 -1.891746326e+00 -1.891746326e+00 3.62 -1.808502559e+00 -1.808502559e+00 3.64 -1.726556479e+00 -1.726556479e+00 3.66 -1.645621548e+00 -1.645621548e+00 3.68 -1.565477513e+00 -1.565477513e+00 3.70 -1.485979587e+00 -1.485979587e+00 3.72 -1.407064993e+00 -1.407064993e+00 3.74 -1.328756392e+00 -1.328756392e+00 3.76 -1.251161665e+00 -1.251161665e+00 3.78 -1.174469449e+00 -1.174469449e+00 3.80 -1.098940077e+00 -1.098940077e+00 3.82 -1.024891881e+00 -1.024891881e+00 3.84 -9.526833528e-01 -9.526833528e-01 3.86 -8.826922202e-01 -8.826922202e-01 3.88 -8.152930064e-01 -8.152930064e-01 3.90 -7.508349880e-01 -7.508349880e-01 3.92 -6.896225052e-01 -6.896225052e-01 3.94 -6.318993160e-01 -6.318993160e-01 3.96 -5.778381493e-01 -5.778381493e-01 3.98 -5.275359178e-01 -5.275359178e-01 4.00 -4.810143564e-01 -4.810143564e-01 4.02 -4.382252777e-01 -4.382252777e-01 4.04 -3.990592743e-01 -3.990592743e-01 4.06 -3.633565670e-01 -3.633565670e-01 4.08 -3.309187629e-01 -3.309187629e-01 4.10 -3.015204954e-01 -3.015204954e-01 4.12 -2.749201901e-01 -2.749201901e-01 4.14 -2.508694802e-01 -2.508694802e-01 4.16 -2.291210510e-01 -2.291210510e-01 4.18 -2.094348838e-01 -2.094348838e-01 4.20 -1.915830051e-01 -1.915830051e-01 4.22 -1.753529272e-01 -1.753529272e-01 4.24 -1.605499955e-01 -1.605499955e-01 4.26 -1.469988543e-01 -1.469988543e-01 4.28 -1.345442117e-01 -1.345442117e-01 4.30 -1.230510441e-01 -1.230510441e-01 4.32 -1.124043302e-01 -1.124043302e-01 4.34 -1.025083624e-01 -1.025083624e-01 4.36 -9.328565162e-02 -9.328565162e-02 4.38 -8.467542006e-02 -8.467542006e-02 4.40 -7.663169903e-02 -7.663169903e-02 4.42 -6.912106275e-02 -6.912106275e-02 4.44 -6.212001378e-02 -6.212001378e-02 4.46 -5.561185317e-02 -5.561185317e-02 4.48 -4.958527937e-02 -4.958527937e-02 4.50 -4.403103534e-02 -4.403103534e-02 4.52 -3.893956063e-02 -3.893956063e-02 4.54 -3.429942742e-02 -3.429942742e-02 4.56 -3.009628977e-02 -3.009628977e-02 4.58 -2.631239207e-02 -2.631239207e-02 4.60 -2.292658171e-02 -2.292658171e-02 4.62 -1.991452553e-02 -1.991452553e-02 4.64 -1.724950409e-02 -1.724950409e-02 4.66 -1.490391359e-02 -1.490391359e-02 4.68 -1.284937246e-02 -1.284937246e-02 4.70 -1.105752761e-02 -1.105752761e-02 4.72 -9.500767191e-03 -9.500767191e-03 4.74 -8.152776423e-03 -8.152776423e-03 4.76 -6.988933469e-03 -6.988933469e-03 4.78 -5.986558124e-03 -5.986558124e-03 4.80 -5.125034851e-03 -5.125034851e-03 4.82 -4.385836311e-03 -4.385836311e-03 4.84 -3.752470368e-03 -3.752470368e-03 4.86 -3.210376159e-03 -3.210376159e-03 4.88 -2.746786040e-03 -2.746786040e-03 4.90 -2.350569508e-03 -2.350569508e-03 4.92 -2.012070384e-03 -2.012070384e-03 4.94 -1.722945492e-03 -1.722945492e-03 4.96 -1.476010372e-03 -1.476010372e-03 4.98 -1.265095489e-03 -1.265095489e-03 5.00 -1.084914821e-03 -1.084914821e-03 5.02 -9.309475673e-04 -9.309475673e-04 5.04 -7.993329317e-04 -7.993329317e-04 5.06 -6.867774372e-04 -6.867774372e-04 5.08 -5.904739023e-04 -5.904739023e-04 5.10 -5.080310559e-04 -5.080310559e-04 5.12 -4.374127040e-04 -4.374127040e-04 5.14 -3.768853686e-04 -3.768853686e-04 5.16 -3.249733703e-04 -3.249733703e-04 5.18 -2.804204001e-04 -2.804204001e-04 5.20 -2.421567145e-04 -2.421567145e-04 5.22 -2.092711785e-04 -2.092711785e-04 5.24 -1.809874731e-04 -1.809874731e-04 5.26 -1.566438663e-04 -1.566438663e-04 5.28 -1.356760283e-04 -1.356760283e-04 5.30 -1.176024390e-04 -1.176024390e-04 5.32 -1.020120018e-04 -1.020120018e-04 5.34 -8.855353109e-05 -8.855353109e-05 5.36 -7.692683135e-05 -7.692683135e-05 5.38 -6.687512447e-05 -6.687512447e-05 5.40 -5.817862178e-05 -5.817862178e-05 5.42 -5.064906532e-05 -5.064906532e-05 5.44 -4.412509088e-05 -4.412509088e-05 5.46 -3.846828732e-05 -3.846828732e-05 5.48 -3.355984602e-05 -3.355984602e-05 5.50 -2.929771066e-05 -2.929771066e-05 5.52 -2.559415113e-05 -2.559415113e-05 5.54 -2.237369741e-05 -2.237369741e-05 5.56 -1.957137874e-05 -1.957137874e-05 5.58 -1.713122215e-05 -1.713122215e-05 5.60 -1.500497120e-05 -1.500497120e-05 5.62 -1.315099195e-05 -1.315099195e-05 5.64 -1.153333819e-05 -1.153333819e-05 5.66 -1.012095210e-05 -1.012095210e-05 5.68 -8.886980276e-06 -8.886980276e-06 5.70 -7.808188131e-06 -7.808188131e-06 5.72 -6.864458042e-06 -6.864458042e-06 5.74 -6.038359039e-06 -6.038359039e-06 5.76 -5.314777551e-06 -5.314777551e-06 5.78 -4.680600313e-06 -4.680600313e-06 5.80 -4.124441887e-06 -4.124441887e-06 5.82 -3.636410337e-06 -3.636410337e-06 5.84 -3.207905582e-06 -3.207905582e-06 5.86 -2.831445747e-06 -2.831445747e-06 5.88 -2.500517511e-06 -2.500517511e-06 5.90 -2.209447057e-06 -2.209447057e-06 5.92 -1.953288705e-06 -1.953288705e-06 5.94 -1.727728731e-06 -1.727728731e-06 5.96 -1.529002264e-06 -1.529002264e-06 5.98 -1.353821410e-06 -1.353821410e-06 6.00 -1.199313067e-06 -1.199313067e-06