# 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 = CoMo2Pb # 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 3.172679522e+02 3.172679522e+02 1.30 2.947202889e+02 2.947202889e+02 1.32 2.738125240e+02 2.738125240e+02 1.34 2.544094959e+02 2.544094959e+02 1.36 2.363905660e+02 2.363905660e+02 1.38 2.196479893e+02 2.196479893e+02 1.40 2.040850473e+02 2.040850473e+02 1.42 1.896139253e+02 1.896139253e+02 1.44 1.761537230e+02 1.761537230e+02 1.46 1.636290495e+02 1.636290495e+02 1.48 1.519695241e+02 1.519695241e+02 1.50 1.411100873e+02 1.411100873e+02 1.52 1.309914989e+02 1.309914989e+02 1.54 1.215603513e+02 1.215603513e+02 1.56 1.127684567e+02 1.127684567e+02 1.58 1.045718758e+02 1.045718758e+02 1.60 9.692989598e+01 9.692989598e+01 1.62 8.980421698e+01 8.980421698e+01 1.64 8.315845007e+01 8.315845007e+01 1.66 7.695797406e+01 7.695797406e+01 1.68 7.117006808e+01 7.117006808e+01 1.70 6.576422370e+01 6.576422370e+01 1.72 6.071247335e+01 6.071247335e+01 1.74 5.598963452e+01 5.598963452e+01 1.76 5.157520107e+01 5.157520107e+01 1.78 4.745336237e+01 4.745336237e+01 1.80 4.361148261e+01 4.361148261e+01 1.82 4.003918707e+01 4.003918707e+01 1.84 3.672083149e+01 3.672083149e+01 1.86 3.364134867e+01 3.364134867e+01 1.88 3.078601923e+01 3.078601923e+01 1.90 2.814041714e+01 2.814041714e+01 1.92 2.569047632e+01 2.569047632e+01 1.94 2.342258952e+01 2.342258952e+01 1.96 2.132368399e+01 2.132368399e+01 1.98 1.938128547e+01 1.938128547e+01 2.00 1.758357447e+01 1.758357447e+01 2.02 1.591942769e+01 1.591942769e+01 2.04 1.437842053e+01 1.437842053e+01 2.06 1.295079147e+01 1.295079147e+01 2.08 1.162739443e+01 1.162739443e+01 2.10 1.039967450e+01 1.039967450e+01 2.12 9.259681702e+00 9.259681702e+00 2.14 8.200112893e+00 8.200112893e+00 2.16 7.214361937e+00 7.214361937e+00 2.18 6.296550324e+00 6.296550324e+00 2.20 5.441515750e+00 5.441515750e+00 2.22 4.644758670e+00 4.644758670e+00 2.24 3.902352758e+00 3.902352758e+00 2.26 3.210839372e+00 3.210839372e+00 2.28 2.567120841e+00 2.567120841e+00 2.30 1.968373418e+00 1.968373418e+00 2.32 1.411970949e+00 1.411970949e+00 2.34 8.954419465e-01 8.954419465e-01 2.36 4.164364261e-01 4.164364261e-01 2.38 -2.728576975e-02 -2.728576975e-02 2.40 -4.378558895e-01 -4.378558895e-01 2.42 -8.172896997e-01 -8.172896997e-01 2.44 -1.167479157e+00 -1.167479157e+00 2.46 -1.490184757e+00 -1.490184757e+00 2.48 -1.787032866e+00 -1.787032866e+00 2.50 -2.059511130e+00 -2.059511130e+00 2.52 -2.308752091e+00 -2.308752091e+00 2.54 -2.536119479e+00 -2.536119479e+00 2.56 -2.743039221e+00 -2.743039221e+00 2.58 -2.930815883e+00 -2.930815883e+00 2.60 -3.100646550e+00 -3.100646550e+00 2.62 -3.253628076e+00 -3.253628076e+00 2.64 -3.390765591e+00 -3.390765591e+00 2.66 -3.512976045e+00 -3.512976045e+00 2.68 -3.620935814e+00 -3.620935814e+00 2.70 -3.714953530e+00 -3.714953530e+00 2.72 -3.795359668e+00 -3.795359668e+00 2.74 -3.862478238e+00 -3.862478238e+00 2.76 -3.916685369e+00 -3.916685369e+00 2.78 -3.958409168e+00 -3.958409168e+00 2.80 -3.988123327e+00 -3.988123327e+00 2.82 -4.006342068e+00 -4.006342068e+00 2.84 -4.013619182e+00 -4.013619182e+00 2.86 -4.010550141e+00 -4.010550141e+00 2.88 -3.997769583e+00 -3.997769583e+00 2.90 -3.975920724e+00 -3.975920724e+00 2.92 -3.945693690e+00 -3.945693690e+00 2.94 -3.907844154e+00 -3.907844154e+00 2.96 -3.863184870e+00 -3.863184870e+00 2.98 -3.812569714e+00 -3.812569714e+00 3.00 -3.756870286e+00 -3.756870286e+00 3.02 -3.696946749e+00 -3.696946749e+00 3.04 -3.633615450e+00 -3.633615450e+00 3.06 -3.567620355e+00 -3.567620355e+00 3.08 -3.499604365e+00 -3.499604365e+00 3.10 -3.430094933e+00 -3.430094933e+00 3.12 -3.359496070e+00 -3.359496070e+00 3.14 -3.288096015e+00 -3.288096015e+00 3.16 -3.216072575e+00 -3.216072575e+00 3.18 -3.143514451e+00 -3.143514451e+00 3.20 -3.070438941e+00 -3.070438941e+00 3.22 -2.996810882e+00 -2.996810882e+00 3.24 -2.922560595e+00 -2.922560595e+00 3.26 -2.847631648e+00 -2.847631648e+00 3.28 -2.771954633e+00 -2.771954633e+00 3.30 -2.695345210e+00 -2.695345210e+00 3.32 -2.617657746e+00 -2.617657746e+00 3.34 -2.538807212e+00 -2.538807212e+00 3.36 -2.458776818e+00 -2.458776818e+00 3.38 -2.377581408e+00 -2.377581408e+00 3.40 -2.295309394e+00 -2.295309394e+00 3.42 -2.212157191e+00 -2.212157191e+00 3.44 -2.128423386e+00 -2.128423386e+00 3.46 -2.044496289e+00 -2.044496289e+00 3.48 -1.960833127e+00 -1.960833127e+00 3.50 -1.877933670e+00 -1.877933670e+00 3.52 -1.796310789e+00 -1.796310789e+00 3.54 -1.716461060e+00 -1.716461060e+00 3.56 -1.638838476e+00 -1.638838476e+00 3.58 -1.563833695e+00 -1.563833695e+00 3.60 -1.491760287e+00 -1.491760287e+00 3.62 -1.422848372e+00 -1.422848372e+00 3.64 -1.357245021e+00 -1.357245021e+00 3.66 -1.295020103e+00 -1.295020103e+00 3.68 -1.236175879e+00 -1.236175879e+00 3.70 -1.180658599e+00 -1.180658599e+00 3.72 -1.128370574e+00 -1.128370574e+00 3.74 -1.079181580e+00 -1.079181580e+00 3.76 -1.032938875e+00 -1.032938875e+00 3.78 -9.894755269e-01 -9.894755269e-01 3.80 -9.486170547e-01 -9.486170547e-01 3.82 -9.101865809e-01 -9.101865809e-01 3.84 -8.740087797e-01 -8.740087797e-01 3.86 -8.399128809e-01 -8.399128809e-01 3.88 -8.077349369e-01 -8.077349369e-01 3.90 -7.773194930e-01 -7.773194930e-01 3.92 -7.485203877e-01 -7.485203877e-01 3.94 -7.212029539e-01 -7.212029539e-01 3.96 -6.952419704e-01 -6.952419704e-01 3.98 -6.705232946e-01 -6.705232946e-01 4.00 -6.469431297e-01 -6.469431297e-01 4.02 -6.244075447e-01 -6.244075447e-01 4.04 -6.028318812e-01 -6.028318812e-01 4.06 -5.821401160e-01 -5.821401160e-01 4.08 -5.622642388e-01 -5.622642388e-01 4.10 -5.431423092e-01 -5.431423092e-01 4.12 -5.247237419e-01 -5.247237419e-01 4.14 -5.069598518e-01 -5.069598518e-01 4.16 -4.898099267e-01 -4.898099267e-01 4.18 -4.732392945e-01 -4.732392945e-01 4.20 -4.572190805e-01 -4.572190805e-01 4.22 -4.417259018e-01 -4.417259018e-01 4.24 -4.267414346e-01 -4.267414346e-01 4.26 -4.122517894e-01 -4.122517894e-01 4.28 -3.982466710e-01 -3.982466710e-01 4.30 -3.847183325e-01 -3.847183325e-01 4.32 -3.716604015e-01 -3.716604015e-01 4.34 -3.590666894e-01 -3.590666894e-01 4.36 -3.469301177e-01 -3.469301177e-01 4.38 -3.352413368e-01 -3.352413368e-01 4.40 -3.239892546e-01 -3.239892546e-01 4.42 -3.131609603e-01 -3.131609603e-01 4.44 -3.027410502e-01 -3.027410502e-01 4.46 -2.927120777e-01 -2.927120777e-01 4.48 -2.830551263e-01 -2.830551263e-01 4.50 -2.737504086e-01 -2.737504086e-01 4.52 -2.647778163e-01 -2.647778163e-01 4.54 -2.561173765e-01 -2.561173765e-01 4.56 -2.477495965e-01 -2.477495965e-01 4.58 -2.396557000e-01 -2.396557000e-01 4.60 -2.318177734e-01 -2.318177734e-01 4.62 -2.242188436e-01 -2.242188436e-01 4.64 -2.168429120e-01 -2.168429120e-01 4.66 -2.096749695e-01 -2.096749695e-01 4.68 -2.027010099e-01 -2.027010099e-01 4.70 -1.959080591e-01 -1.959080591e-01 4.72 -1.892842297e-01 -1.892842297e-01 4.74 -1.828188094e-01 -1.828188094e-01 4.76 -1.765023827e-01 -1.765023827e-01 4.78 -1.703269814e-01 -1.703269814e-01 4.80 -1.642854593e-01 -1.642854593e-01 4.82 -1.583749699e-01 -1.583749699e-01 4.84 -1.525919338e-01 -1.525919338e-01 4.86 -1.469357361e-01 -1.469357361e-01 4.88 -1.414077795e-01 -1.414077795e-01 4.90 -1.360113672e-01 -1.360113672e-01 4.92 -1.307514510e-01 -1.307514510e-01 4.94 -1.256342387e-01 -1.256342387e-01 4.96 -1.206666803e-01 -1.206666803e-01 4.98 -1.158558693e-01 -1.158558693e-01 5.00 -1.112084181e-01 -1.112084181e-01 5.02 -1.067298730e-01 -1.067298730e-01 5.04 -1.024242319e-01 -1.024242319e-01 5.06 -9.829361596e-02 -9.829361596e-02 5.08 -9.433812105e-02 -9.433812105e-02 5.10 -9.055585079e-02 -9.055585079e-02 5.12 -8.694310628e-02 -8.694310628e-02 5.14 -8.349469250e-02 -8.349469250e-02 5.16 -8.020429139e-02 -8.020429139e-02 5.18 -7.706485306e-02 -7.706485306e-02 5.20 -7.406896340e-02 -7.406896340e-02 5.22 -7.120915785e-02 -7.120915785e-02 5.24 -6.847816362e-02 -6.847816362e-02 5.26 -6.586905352e-02 -6.586905352e-02 5.28 -6.337529471e-02 -6.337529471e-02 5.30 -6.099090682e-02 -6.099090682e-02 5.32 -5.871037126e-02 -5.871037126e-02 5.34 -5.652855760e-02 -5.652855760e-02 5.36 -5.444064798e-02 -5.444064798e-02 5.38 -5.244205774e-02 -5.244205774e-02 5.40 -5.052836225e-02 -5.052836225e-02 5.42 -4.869523615e-02 -4.869523615e-02 5.44 -4.693841019e-02 -4.693841019e-02 5.46 -4.525364608e-02 -4.525364608e-02 5.48 -4.363672784e-02 -4.363672784e-02 5.50 -4.208346659e-02 -4.208346659e-02 5.52 -4.058971528e-02 -4.058971528e-02 5.54 -3.915138935e-02 -3.915138935e-02 5.56 -3.776449016e-02 -3.776449016e-02 5.58 -3.642512842e-02 -3.642512842e-02 5.60 -3.512954605e-02 -3.512954605e-02 5.62 -3.387413523e-02 -3.387413523e-02 5.64 -3.265545320e-02 -3.265545320e-02 5.66 -3.147023581e-02 -3.147023581e-02 5.68 -3.031540835e-02 -3.031540835e-02 5.70 -2.918809467e-02 -2.918809467e-02 5.72 -2.808562571e-02 -2.808562571e-02 5.74 -2.700554826e-02 -2.700554826e-02 5.76 -2.594563465e-02 -2.594563465e-02 5.78 -2.490389384e-02 -2.490389384e-02 5.80 -2.387858432e-02 -2.387858432e-02 5.82 -2.286822854e-02 -2.286822854e-02 5.84 -2.187162874e-02 -2.187162874e-02 5.86 -2.088788341e-02 -2.088788341e-02 5.88 -1.991640325e-02 -1.991640325e-02 5.90 -1.895692535e-02 -1.895692535e-02 5.92 -1.800952396e-02 -1.800952396e-02 5.94 -1.707460005e-02 -1.707460005e-02 5.96 -1.615281963e-02 -1.615281963e-02 5.98 -1.524527746e-02 -1.524527746e-02 6.00 -1.435339487e-02 -1.435339487e-02