# 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 = CoMg2W # 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 3.965942433e+02 3.965942433e+02 1.30 3.667092050e+02 3.667092050e+02 1.32 3.391215872e+02 3.391215872e+02 1.34 3.136447531e+02 3.136447531e+02 1.36 2.901063129e+02 2.901063129e+02 1.38 2.683471841e+02 2.683471841e+02 1.40 2.482213457e+02 2.482213457e+02 1.42 2.295956700e+02 2.295956700e+02 1.44 2.123493425e+02 2.123493425e+02 1.46 1.963729685e+02 1.963729685e+02 1.48 1.815676856e+02 1.815676856e+02 1.50 1.678442372e+02 1.678442372e+02 1.52 1.551218142e+02 1.551218142e+02 1.54 1.433268240e+02 1.433268240e+02 1.56 1.323919222e+02 1.323919222e+02 1.58 1.222553139e+02 1.222553139e+02 1.60 1.128601070e+02 1.128601070e+02 1.62 1.041536221e+02 1.041536221e+02 1.64 9.608675641e+01 9.608675641e+01 1.66 8.861386806e+01 8.861386806e+01 1.68 8.169238794e+01 8.169238794e+01 1.70 7.528205358e+01 7.528205358e+01 1.72 6.934545580e+01 6.934545580e+01 1.74 6.384836625e+01 6.384836625e+01 1.76 5.875797263e+01 5.875797263e+01 1.78 5.404310096e+01 5.404310096e+01 1.80 4.967500901e+01 4.967500901e+01 1.82 4.562706510e+01 4.562706510e+01 1.84 4.187477453e+01 4.187477453e+01 1.86 3.839582972e+01 3.839582972e+01 1.88 3.517007661e+01 3.517007661e+01 1.90 3.217935905e+01 3.217935905e+01 1.92 2.940724723e+01 2.940724723e+01 1.94 2.683872242e+01 2.683872242e+01 1.96 2.445989827e+01 2.445989827e+01 1.98 2.225782512e+01 2.225782512e+01 2.00 2.022036594e+01 2.022036594e+01 2.02 1.833610732e+01 1.833610732e+01 2.04 1.659427669e+01 1.659427669e+01 2.06 1.498465689e+01 1.498465689e+01 2.08 1.349751363e+01 1.349751363e+01 2.10 1.212356213e+01 1.212356213e+01 2.12 1.085398362e+01 1.085398362e+01 2.14 9.680483576e+00 9.680483576e+00 2.16 8.595368997e+00 8.595368997e+00 2.18 7.591611533e+00 7.591611533e+00 2.20 6.662932644e+00 6.662932644e+00 2.22 5.803728724e+00 5.803728724e+00 2.24 5.008756542e+00 5.008756542e+00 2.26 4.273363011e+00 4.273363011e+00 2.28 3.593398245e+00 3.593398245e+00 2.30 2.965121019e+00 2.965121019e+00 2.32 2.385130022e+00 2.385130022e+00 2.34 1.850559720e+00 1.850559720e+00 2.36 1.358866746e+00 1.358866746e+00 2.38 9.075417152e-01 9.075417152e-01 2.40 4.941269661e-01 4.941269661e-01 2.42 1.162332880e-01 1.162332880e-01 2.44 -2.284486183e-01 -2.284486183e-01 2.46 -5.421418574e-01 -5.421418574e-01 2.48 -8.269770460e-01 -8.269770460e-01 2.50 -1.084985754e+00 -1.084985754e+00 2.52 -1.318093998e+00 -1.318093998e+00 2.54 -1.528151787e+00 -1.528151787e+00 2.56 -1.716865804e+00 -1.716865804e+00 2.58 -1.885774648e+00 -1.885774648e+00 2.60 -2.036318501e+00 -2.036318501e+00 2.62 -2.169835905e+00 -2.169835905e+00 2.64 -2.287562598e+00 -2.287562598e+00 2.66 -2.390629523e+00 -2.390629523e+00 2.68 -2.480068304e+00 -2.480068304e+00 2.70 -2.556767910e+00 -2.556767910e+00 2.72 -2.621497976e+00 -2.621497976e+00 2.74 -2.674982015e+00 -2.674982015e+00 2.76 -2.717906651e+00 -2.717906651e+00 2.78 -2.750925619e+00 -2.750925619e+00 2.80 -2.774663688e+00 -2.774663688e+00 2.82 -2.789718069e+00 -2.789718069e+00 2.84 -2.796663593e+00 -2.796663593e+00 2.86 -2.796057911e+00 -2.796057911e+00 2.88 -2.788448398e+00 -2.788448398e+00 2.90 -2.774379834e+00 -2.774379834e+00 2.92 -2.754401964e+00 -2.754401964e+00 2.94 -2.729075743e+00 -2.729075743e+00 2.96 -2.698976988e+00 -2.698976988e+00 2.98 -2.664696189e+00 -2.664696189e+00 3.00 -2.626833483e+00 -2.626833483e+00 3.02 -2.585988394e+00 -2.585988394e+00 3.04 -2.542744592e+00 -2.542744592e+00 3.06 -2.497652903e+00 -2.497652903e+00 3.08 -2.451211216e+00 -2.451211216e+00 3.10 -2.403850300e+00 -2.403850300e+00 3.12 -2.355923292e+00 -2.355923292e+00 3.14 -2.307705374e+00 -2.307705374e+00 3.16 -2.259394831e+00 -2.259394831e+00 3.18 -2.211125367e+00 -2.211125367e+00 3.20 -2.162978424e+00 -2.162978424e+00 3.22 -2.114997214e+00 -2.114997214e+00 3.24 -2.067200132e+00 -2.067200132e+00 3.26 -2.019592462e+00 -2.019592462e+00 3.28 -1.972206631e+00 -1.972206631e+00 3.30 -1.925064732e+00 -1.925064732e+00 3.32 -1.878089337e+00 -1.878089337e+00 3.34 -1.831223085e+00 -1.831223085e+00 3.36 -1.784433847e+00 -1.784433847e+00 3.38 -1.737715166e+00 -1.737715166e+00 3.40 -1.690985145e+00 -1.690985145e+00 3.42 -1.644007994e+00 -1.644007994e+00 3.44 -1.596611220e+00 -1.596611220e+00 3.46 -1.548715520e+00 -1.548715520e+00 3.48 -1.500332684e+00 -1.500332684e+00 3.50 -1.451558158e+00 -1.451558158e+00 3.52 -1.402558216e+00 -1.402558216e+00 3.54 -1.353552722e+00 -1.353552722e+00 3.56 -1.304795203e+00 -1.304795203e+00 3.58 -1.256552370e+00 -1.256552370e+00 3.60 -1.209085138e+00 -1.209085138e+00 3.62 -1.162632816e+00 -1.162632816e+00 3.64 -1.117401518e+00 -1.117401518e+00 3.66 -1.073557146e+00 -1.073557146e+00 3.68 -1.031222689e+00 -1.031222689e+00 3.70 -9.904791630e-01 -9.904791630e-01 3.72 -9.513692533e-01 -9.513692533e-01 3.74 -9.139027051e-01 -9.139027051e-01 3.76 -8.780625512e-01 -8.780625512e-01 3.78 -8.438114522e-01 -8.438114522e-01 3.80 -8.110975975e-01 -8.110975975e-01 3.82 -7.798598042e-01 -7.798598042e-01 3.84 -7.500316166e-01 -7.500316166e-01 3.86 -7.215443514e-01 -7.215443514e-01 3.88 -6.943291518e-01 -6.943291518e-01 3.90 -6.683182093e-01 -6.683182093e-01 3.92 -6.434451504e-01 -6.434451504e-01 3.94 -6.196461988e-01 -6.196461988e-01 3.96 -5.968587706e-01 -5.968587706e-01 3.98 -5.750225778e-01 -5.750225778e-01 4.00 -5.540794869e-01 -5.540794869e-01 4.02 -5.339737499e-01 -5.339737499e-01 4.04 -5.146523046e-01 -5.146523046e-01 4.06 -4.960651066e-01 -4.960651066e-01 4.08 -4.781654581e-01 -4.781654581e-01 4.10 -4.609096579e-01 -4.609096579e-01 4.12 -4.442600296e-01 -4.442600296e-01 4.14 -4.281808076e-01 -4.281808076e-01 4.16 -4.126414240e-01 -4.126414240e-01 4.18 -3.976158366e-01 -3.976158366e-01 4.20 -3.830825933e-01 -3.830825933e-01 4.22 -3.690247594e-01 -3.690247594e-01 4.24 -3.554296547e-01 -3.554296547e-01 4.26 -3.422883566e-01 -3.422883566e-01 4.28 -3.295949502e-01 -3.295949502e-01 4.30 -3.173455539e-01 -3.173455539e-01 4.32 -3.055371972e-01 -3.055371972e-01 4.34 -2.941666706e-01 -2.941666706e-01 4.36 -2.832294862e-01 -2.832294862e-01 4.38 -2.727190770e-01 -2.727190770e-01 4.40 -2.626263180e-01 -2.626263180e-01 4.42 -2.529393931e-01 -2.529393931e-01 4.44 -2.436439724e-01 -2.436439724e-01 4.46 -2.347236211e-01 -2.347236211e-01 4.48 -2.261603406e-01 -2.261603406e-01 4.50 -2.179351474e-01 -2.179351474e-01 4.52 -2.100286161e-01 -2.100286161e-01 4.54 -2.024213384e-01 -2.024213384e-01 4.56 -1.950942788e-01 -1.950942788e-01 4.58 -1.880290258e-01 -1.880290258e-01 4.60 -1.812079547e-01 -1.812079547e-01 4.62 -1.746143228e-01 -1.746143228e-01 4.64 -1.682323194e-01 -1.682323194e-01 4.66 -1.620470960e-01 -1.620470960e-01 4.68 -1.560447923e-01 -1.560447923e-01 4.70 -1.502125768e-01 -1.502125768e-01 4.72 -1.445387112e-01 -1.445387112e-01 4.74 -1.390126456e-01 -1.390126456e-01 4.76 -1.336251460e-01 -1.336251460e-01 4.78 -1.283684485e-01 -1.283684485e-01 4.80 -1.232360299e-01 -1.232360299e-01 4.82 -1.182244510e-01 -1.182244510e-01 4.84 -1.133308686e-01 -1.133308686e-01 4.86 -1.085549656e-01 -1.085549656e-01 4.88 -1.038984605e-01 -1.038984605e-01 4.90 -9.936498687e-02 -9.936498687e-02 4.92 -9.495983616e-02 -9.495983616e-02 4.94 -9.068955951e-02 -9.068955951e-02 4.96 -8.656142882e-02 -8.656142882e-02 4.98 -8.258282963e-02 -8.258282963e-02 5.00 -7.876061574e-02 -7.876061574e-02 5.02 -7.510049716e-02 -7.510049716e-02 5.04 -7.160652702e-02 -7.160652702e-02 5.06 -6.828073922e-02 -6.828073922e-02 5.08 -6.512296612e-02 -6.512296612e-02 5.10 -6.213066029e-02 -6.213066029e-02 5.12 -5.929873624e-02 -5.929873624e-02 5.14 -5.662136420e-02 -5.662136420e-02 5.16 -5.409134250e-02 -5.409134250e-02 5.18 -5.170038738e-02 -5.170038738e-02 5.20 -4.943955997e-02 -4.943955997e-02 5.22 -4.729965393e-02 -4.729965393e-02 5.24 -4.527152557e-02 -4.527152557e-02 5.26 -4.334635866e-02 -4.334635866e-02 5.28 -4.151586437e-02 -4.151586437e-02 5.30 -3.977242143e-02 -3.977242143e-02 5.32 -3.810916419e-02 -3.810916419e-02 5.34 -3.652002656e-02 -3.652002656e-02 5.36 -3.499974944e-02 -3.499974944e-02 5.38 -3.354385727e-02 -3.354385727e-02 5.40 -3.214860906e-02 -3.214860906e-02 5.42 -3.081092799e-02 -3.081092799e-02 5.44 -2.952831327e-02 -2.952831327e-02 5.46 -2.829873867e-02 -2.829873867e-02 5.48 -2.712054295e-02 -2.712054295e-02 5.50 -2.599231779e-02 -2.599231779e-02 5.52 -2.491279995e-02 -2.491279995e-02 5.54 -2.388077389e-02 -2.388077389e-02 5.56 -2.289499041e-02 -2.289499041e-02 5.58 -2.195410541e-02 -2.195410541e-02 5.60 -2.105664049e-02 -2.105664049e-02 5.62 -2.020096534e-02 -2.020096534e-02 5.64 -1.938529920e-02 -1.938529920e-02 5.66 -1.860772799e-02 -1.860772799e-02 5.68 -1.786623209e-02 -1.786623209e-02 5.70 -1.715872029e-02 -1.715872029e-02 5.72 -1.648306561e-02 -1.648306561e-02 5.74 -1.583713908e-02 -1.583713908e-02 5.76 -1.521881359e-02 -1.521881359e-02 5.78 -1.462603231e-02 -1.462603231e-02 5.80 -1.405682995e-02 -1.405682995e-02 5.82 -1.350932715e-02 -1.350932715e-02 5.84 -1.298173946e-02 -1.298173946e-02 5.86 -1.247238236e-02 -1.247238236e-02 5.88 -1.197967325e-02 -1.197967325e-02 5.90 -1.150213158e-02 -1.150213158e-02 5.92 -1.103837787e-02 -1.103837787e-02 5.94 -1.058713271e-02 -1.058713271e-02 5.96 -1.014721613e-02 -1.014721613e-02 5.98 -9.717548129e-03 -9.717548129e-03 6.00 -9.297150575e-03 -9.297150575e-03