# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuNiPd2 # 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 2022-05-24 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 5.848516814e+02 5.848516814e+02 0.98 5.319535891e+02 5.319535891e+02 1.00 4.843122752e+02 4.843122752e+02 1.02 4.413638215e+02 4.413638215e+02 1.04 4.026146794e+02 4.026146794e+02 1.06 3.676218162e+02 3.676218162e+02 1.08 3.359917912e+02 3.359917912e+02 1.10 3.073780861e+02 3.073780861e+02 1.12 2.814658964e+02 2.814658964e+02 1.14 2.579731930e+02 2.579731930e+02 1.16 2.366526333e+02 2.366526333e+02 1.18 2.172832921e+02 2.172832921e+02 1.20 1.996654917e+02 1.996654917e+02 1.22 1.836189284e+02 1.836189284e+02 1.24 1.689913347e+02 1.689913347e+02 1.26 1.556402584e+02 1.556402584e+02 1.28 1.434393350e+02 1.434393350e+02 1.30 1.322727315e+02 1.322727315e+02 1.32 1.220410036e+02 1.220410036e+02 1.34 1.126556408e+02 1.126556408e+02 1.36 1.040367208e+02 1.040367208e+02 1.38 9.611117224e+01 9.611117224e+01 1.40 8.881446419e+01 8.881446419e+01 1.42 8.208793899e+01 8.208793899e+01 1.44 7.588076378e+01 7.588076378e+01 1.46 7.014668521e+01 7.014668521e+01 1.48 6.484474254e+01 6.484474254e+01 1.50 5.993792306e+01 5.993792306e+01 1.52 5.539272273e+01 5.539272273e+01 1.54 5.117828200e+01 5.117828200e+01 1.56 4.726663696e+01 4.726663696e+01 1.58 4.363316733e+01 4.363316733e+01 1.60 4.025745017e+01 4.025745017e+01 1.62 3.711913717e+01 3.711913717e+01 1.64 3.419983184e+01 3.419983184e+01 1.66 3.148286880e+01 3.148286880e+01 1.68 2.895310466e+01 2.895310466e+01 1.70 2.659668232e+01 2.659668232e+01 1.72 2.440022867e+01 2.440022867e+01 1.74 2.235332397e+01 2.235332397e+01 1.76 2.043952660e+01 2.043952660e+01 1.78 1.866295166e+01 1.866295166e+01 1.80 1.698778018e+01 1.698778018e+01 1.82 1.541641416e+01 1.541641416e+01 1.84 1.394564119e+01 1.394564119e+01 1.86 1.255644784e+01 1.255644784e+01 1.88 1.124534606e+01 1.124534606e+01 1.90 1.001029673e+01 1.001029673e+01 1.92 8.848578128e+00 8.848578128e+00 1.94 7.756736360e+00 7.756736360e+00 1.96 6.733327391e+00 6.733327391e+00 1.98 5.775483568e+00 5.775483568e+00 2.00 4.880589730e+00 4.880589730e+00 2.02 4.046076016e+00 4.046076016e+00 2.04 3.269298821e+00 3.269298821e+00 2.06 2.548066680e+00 2.548066680e+00 2.08 1.879139933e+00 1.879139933e+00 2.10 1.259941472e+00 1.259941472e+00 2.12 6.876233109e-01 6.876233109e-01 2.14 1.601723525e-01 1.601723525e-01 2.16 -3.246955517e-01 -3.246955517e-01 2.18 -7.691483113e-01 -7.691483113e-01 2.20 -1.174683404e+00 -1.174683404e+00 2.22 -1.544156264e+00 -1.544156264e+00 2.24 -1.879783564e+00 -1.879783564e+00 2.26 -2.183560422e+00 -2.183560422e+00 2.28 -2.457404944e+00 -2.457404944e+00 2.30 -2.703037272e+00 -2.703037272e+00 2.32 -2.922386342e+00 -2.922386342e+00 2.34 -3.116695853e+00 -3.116695853e+00 2.36 -3.287720385e+00 -3.287720385e+00 2.38 -3.437274304e+00 -3.437274304e+00 2.40 -3.566824501e+00 -3.566824501e+00 2.42 -3.677535681e+00 -3.677535681e+00 2.44 -3.770986030e+00 -3.770986030e+00 2.46 -3.848428314e+00 -3.848428314e+00 2.48 -3.911115445e+00 -3.911115445e+00 2.50 -3.960298940e+00 -3.960298940e+00 2.52 -3.997255705e+00 -3.997255705e+00 2.54 -4.022779834e+00 -4.022779834e+00 2.56 -4.037613705e+00 -4.037613705e+00 2.58 -4.042633868e+00 -4.042633868e+00 2.60 -4.039409291e+00 -4.039409291e+00 2.62 -4.027800655e+00 -4.027800655e+00 2.64 -4.008776569e+00 -4.008776569e+00 2.66 -3.983221330e+00 -3.983221330e+00 2.68 -3.951773662e+00 -3.951773662e+00 2.70 -3.914768340e+00 -3.914768340e+00 2.72 -3.872448085e+00 -3.872448085e+00 2.74 -3.825781979e+00 -3.825781979e+00 2.76 -3.774747676e+00 -3.774747676e+00 2.78 -3.720517689e+00 -3.720517689e+00 2.80 -3.663617867e+00 -3.663617867e+00 2.82 -3.604120720e+00 -3.604120720e+00 2.84 -3.542390889e+00 -3.542390889e+00 2.86 -3.478765179e+00 -3.478765179e+00 2.88 -3.413554145e+00 -3.413554145e+00 2.90 -3.347043623e+00 -3.347043623e+00 2.92 -3.279496180e+00 -3.279496180e+00 2.94 -3.211161116e+00 -3.211161116e+00 2.96 -3.142630024e+00 -3.142630024e+00 2.98 -3.072531124e+00 -3.072531124e+00 3.00 -3.001821989e+00 -3.001821989e+00 3.02 -2.931182663e+00 -2.931182663e+00 3.04 -2.860940349e+00 -2.860940349e+00 3.06 -2.791289971e+00 -2.791289971e+00 3.08 -2.722070927e+00 -2.722070927e+00 3.10 -2.653394286e+00 -2.653394286e+00 3.12 -2.585356017e+00 -2.585356017e+00 3.14 -2.518041410e+00 -2.518041410e+00 3.16 -2.451525914e+00 -2.451525914e+00 3.18 -2.385875887e+00 -2.385875887e+00 3.20 -2.321149297e+00 -2.321149297e+00 3.22 -2.257396467e+00 -2.257396467e+00 3.24 -2.194655901e+00 -2.194655901e+00 3.26 -2.133560506e+00 -2.133560506e+00 3.28 -2.073729387e+00 -2.073729387e+00 3.30 -2.014963106e+00 -2.014963106e+00 3.32 -1.957289723e+00 -1.957289723e+00 3.34 -1.900730897e+00 -1.900730897e+00 3.36 -1.845272961e+00 -1.845272961e+00 3.38 -1.790912052e+00 -1.790912052e+00 3.40 -1.737638529e+00 -1.737638529e+00 3.42 -1.685388979e+00 -1.685388979e+00 3.44 -1.634133126e+00 -1.634133126e+00 3.46 -1.583948207e+00 -1.583948207e+00 3.48 -1.534920912e+00 -1.534920912e+00 3.50 -1.487050340e+00 -1.487050340e+00 3.52 -1.440314241e+00 -1.440314241e+00 3.54 -1.394710268e+00 -1.394710268e+00 3.56 -1.350185467e+00 -1.350185467e+00 3.58 -1.306640101e+00 -1.306640101e+00 3.60 -1.264010227e+00 -1.264010227e+00 3.62 -1.222341130e+00 -1.222341130e+00 3.64 -1.181709809e+00 -1.181709809e+00 3.66 -1.142168051e+00 -1.142168051e+00 3.68 -1.103697916e+00 -1.103697916e+00 3.70 -1.066266446e+00 -1.066266446e+00 3.72 -1.029846638e+00 -1.029846638e+00 3.74 -9.944121629e-01 -9.944121629e-01 3.76 -9.599351476e-01 -9.599351476e-01 3.78 -9.264014018e-01 -9.264014018e-01 3.80 -8.937981198e-01 -8.937981198e-01 3.82 -8.621066736e-01 -8.621066736e-01 3.84 -8.313018635e-01 -8.313018635e-01 3.86 -8.013322663e-01 -8.013322663e-01 3.88 -7.721766860e-01 -7.721766860e-01 3.90 -7.438530411e-01 -7.438530411e-01 3.92 -7.163486694e-01 -7.163486694e-01 3.94 -6.896176762e-01 -6.896176762e-01 3.96 -6.636322676e-01 -6.636322676e-01 3.98 -6.384408500e-01 -6.384408500e-01 4.00 -6.141178105e-01 -6.141178105e-01 4.02 -5.906667098e-01 -5.906667098e-01 4.04 -5.680226471e-01 -5.680226471e-01 4.06 -5.461355935e-01 -5.461355935e-01 4.08 -5.250004300e-01 -5.250004300e-01 4.10 -5.046257630e-01 -5.046257630e-01 4.12 -4.848696514e-01 -4.848696514e-01 4.14 -4.655812730e-01 -4.655812730e-01 4.16 -4.466915481e-01 -4.466915481e-01 4.18 -4.283429942e-01 -4.283429942e-01 4.20 -4.102141329e-01 -4.102141329e-01 4.22 -3.922551874e-01 -3.922551874e-01 4.24 -3.744379437e-01 -3.744379437e-01 4.26 -3.567961863e-01 -3.567961863e-01 4.28 -3.393321815e-01 -3.393321815e-01 4.30 -3.227010430e-01 -3.227010430e-01 4.32 -3.066246259e-01 -3.066246259e-01 4.34 -2.908205728e-01 -2.908205728e-01 4.36 -2.753295741e-01 -2.753295741e-01 4.38 -2.602157229e-01 -2.602157229e-01 4.40 -2.455279593e-01 -2.455279593e-01 4.42 -2.313025262e-01 -2.313025262e-01 4.44 -2.175650604e-01 -2.175650604e-01 4.46 -2.043323820e-01 -2.043323820e-01 4.48 -1.916140200e-01 -1.916140200e-01 4.50 -1.794135142e-01 -1.794135142e-01 4.52 -1.677295218e-01 -1.677295218e-01 4.54 -1.565567561e-01 -1.565567561e-01 4.56 -1.458867818e-01 -1.458867818e-01 4.58 -1.357101549e-01 -1.357101549e-01 4.60 -1.263195692e-01 -1.263195692e-01 4.62 -1.176718661e-01 -1.176718661e-01 4.64 -1.094363923e-01 -1.094363923e-01 4.66 -1.015991450e-01 -1.015991450e-01 4.68 -9.414563642e-02 -9.414563642e-02 4.70 -8.706110198e-02 -8.706110198e-02 4.72 -8.033067180e-02 -8.033067180e-02 4.74 -7.393951044e-02 -7.393951044e-02 4.76 -6.787292973e-02 -6.787292973e-02 4.78 -6.211963476e-02 -6.211963476e-02 4.80 -5.668205162e-02 -5.668205162e-02 4.82 -5.202841219e-02 -5.202841219e-02 4.84 -4.763413492e-02 -4.763413492e-02 4.86 -4.346676085e-02 -4.346676085e-02 4.88 -3.951406696e-02 -3.951406696e-02 4.90 -3.576573905e-02 -3.576573905e-02 4.92 -3.221159394e-02 -3.221159394e-02 4.94 -2.881907042e-02 -2.881907042e-02 4.96 -2.601297549e-02 -2.601297549e-02 4.98 -2.373801662e-02 -2.373801662e-02 5.00 -2.156703864e-02 -2.156703864e-02 5.02 -1.951135821e-02 -1.951135821e-02 5.04 -1.756518725e-02 -1.756518725e-02 5.06 -1.572288956e-02 -1.572288956e-02 5.08 -1.397909233e-02 -1.397909233e-02 5.10 -1.232867831e-02 -1.232867831e-02 5.12 -1.076677750e-02 -1.076677750e-02 5.14 -9.288758275e-03 -9.288758275e-03 5.16 -7.890218361e-03 -7.890218361e-03 5.18 -6.566975661e-03 -6.566975661e-03 5.20 -5.315059022e-03 -5.315059022e-03 5.22 -4.130699063e-03 -4.130699063e-03 5.24 -3.010319142e-03 -3.010319142e-03 5.26 -1.950526508e-03 -1.950526508e-03 5.28 -9.487185588e-04 -9.487185588e-04 5.30 -1.485013808e-15 -1.484722536e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00