# 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 = AgNiPd2 # 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 nan nan 0.98 6.329055576e+02 6.329055576e+02 1.00 5.780257997e+02 5.780257997e+02 1.02 5.285572449e+02 5.285572449e+02 1.04 4.839138312e+02 4.839138312e+02 1.06 4.435764649e+02 4.435764649e+02 1.08 4.070778357e+02 4.070778357e+02 1.10 3.740126729e+02 3.740126729e+02 1.12 3.440151695e+02 3.440151695e+02 1.14 3.167601785e+02 3.167601785e+02 1.16 2.919647083e+02 2.919647083e+02 1.18 2.693731218e+02 2.693731218e+02 1.20 2.487584404e+02 2.487584404e+02 1.22 2.299165079e+02 2.299165079e+02 1.24 2.126733122e+02 2.126733122e+02 1.26 1.968692633e+02 1.968692633e+02 1.28 1.823623982e+02 1.823623982e+02 1.30 1.690244958e+02 1.690244958e+02 1.32 1.567456420e+02 1.567456420e+02 1.34 1.454262019e+02 1.454262019e+02 1.36 1.349780687e+02 1.349780687e+02 1.38 1.253218093e+02 1.253218093e+02 1.40 1.163850488e+02 1.163850488e+02 1.42 1.081035062e+02 1.081035062e+02 1.44 1.004226265e+02 1.004226265e+02 1.46 9.329117053e+01 9.329117053e+01 1.48 8.666297948e+01 8.666297948e+01 1.50 8.049728533e+01 8.049728533e+01 1.52 7.475734631e+01 7.475734631e+01 1.54 6.940934452e+01 6.940934452e+01 1.56 6.442194789e+01 6.442194789e+01 1.58 5.976777653e+01 5.976777653e+01 1.60 5.542386988e+01 5.542386988e+01 1.62 5.136723435e+01 5.136723435e+01 1.64 4.757735317e+01 4.757735317e+01 1.66 4.403553728e+01 4.403553728e+01 1.68 4.072455670e+01 4.072455670e+01 1.70 3.762840092e+01 3.762840092e+01 1.72 3.473170174e+01 3.473170174e+01 1.74 3.202224027e+01 3.202224027e+01 1.76 2.948762737e+01 2.948762737e+01 1.78 2.711522381e+01 2.711522381e+01 1.80 2.489523981e+01 2.489523981e+01 1.82 2.280205285e+01 2.280205285e+01 1.84 2.082985361e+01 2.082985361e+01 1.86 1.899583731e+01 1.899583731e+01 1.88 1.726751470e+01 1.726751470e+01 1.90 1.564116365e+01 1.564116365e+01 1.92 1.411250339e+01 1.411250339e+01 1.94 1.267723747e+01 1.267723747e+01 1.96 1.133120209e+01 1.133120209e+01 1.98 1.007019378e+01 1.007019378e+01 2.00 8.890357384e+00 8.890357384e+00 2.02 7.787837646e+00 7.787837646e+00 2.04 6.758882402e+00 6.758882402e+00 2.06 5.799734509e+00 5.799734509e+00 2.08 4.906778275e+00 4.906778275e+00 2.10 4.077290945e+00 4.077290945e+00 2.12 3.306964744e+00 3.306964744e+00 2.14 2.593004738e+00 2.593004738e+00 2.16 1.932624143e+00 1.932624143e+00 2.18 1.322935034e+00 1.322935034e+00 2.20 7.611976314e-01 7.611976314e-01 2.22 2.446950842e-01 2.446950842e-01 2.24 -2.291102668e-01 -2.291102668e-01 2.26 -6.626589612e-01 -6.626589612e-01 2.28 -1.058255369e+00 -1.058255369e+00 2.30 -1.418174876e+00 -1.418174876e+00 2.32 -1.744701812e+00 -1.744701812e+00 2.34 -2.039545084e+00 -2.039545084e+00 2.36 -2.304871685e+00 -2.304871685e+00 2.38 -2.542588225e+00 -2.542588225e+00 2.40 -2.754175921e+00 -2.754175921e+00 2.42 -2.941385312e+00 -2.941385312e+00 2.44 -3.106049446e+00 -3.106049446e+00 2.46 -3.249701683e+00 -3.249701683e+00 2.48 -3.373804999e+00 -3.373804999e+00 2.50 -3.479749789e+00 -3.479749789e+00 2.52 -3.569221474e+00 -3.569221474e+00 2.54 -3.643292740e+00 -3.643292740e+00 2.56 -3.702954069e+00 -3.702954069e+00 2.58 -3.749292081e+00 -3.749292081e+00 2.60 -3.783403146e+00 -3.783403146e+00 2.62 -3.806284919e+00 -3.806284919e+00 2.64 -3.818877105e+00 -3.818877105e+00 2.66 -3.821933720e+00 -3.821933720e+00 2.68 -3.816314441e+00 -3.816314441e+00 2.70 -3.802915845e+00 -3.802915845e+00 2.72 -3.782357298e+00 -3.782357298e+00 2.74 -3.755045051e+00 -3.755045051e+00 2.76 -3.722041484e+00 -3.722041484e+00 2.78 -3.684449573e+00 -3.684449573e+00 2.80 -3.642600645e+00 -3.642600645e+00 2.82 -3.596672002e+00 -3.596672002e+00 2.84 -3.547145313e+00 -3.547145313e+00 2.86 -3.494467925e+00 -3.494467925e+00 2.88 -3.439053718e+00 -3.439053718e+00 2.90 -3.381297789e+00 -3.381297789e+00 2.92 -3.321679511e+00 -3.321679511e+00 2.94 -3.260381003e+00 -3.260381003e+00 2.96 -3.198000037e+00 -3.198000037e+00 2.98 -3.134472961e+00 -3.134472961e+00 3.00 -3.070054738e+00 -3.070054738e+00 3.02 -3.003566859e+00 -3.003566859e+00 3.04 -2.936453625e+00 -2.936453625e+00 3.06 -2.869178627e+00 -2.869178627e+00 3.08 -2.801933413e+00 -2.801933413e+00 3.10 -2.734862935e+00 -2.734862935e+00 3.12 -2.668102273e+00 -2.668102273e+00 3.14 -2.601771830e+00 -2.601771830e+00 3.16 -2.535979059e+00 -2.535979059e+00 3.18 -2.470819448e+00 -2.470819448e+00 3.20 -2.406377463e+00 -2.406377463e+00 3.22 -2.342727474e+00 -2.342727474e+00 3.24 -2.279922967e+00 -2.279922967e+00 3.26 -2.218630374e+00 -2.218630374e+00 3.28 -2.158469552e+00 -2.158469552e+00 3.30 -2.099271427e+00 -2.099271427e+00 3.32 -2.041072376e+00 -2.041072376e+00 3.34 -1.983904015e+00 -1.983904015e+00 3.36 -1.927789211e+00 -1.927789211e+00 3.38 -1.872755104e+00 -1.872755104e+00 3.40 -1.818847372e+00 -1.818847372e+00 3.42 -1.766075692e+00 -1.766075692e+00 3.44 -1.714291751e+00 -1.714291751e+00 3.46 -1.663542598e+00 -1.663542598e+00 3.48 -1.613918935e+00 -1.613918935e+00 3.50 -1.565434521e+00 -1.565434521e+00 3.52 -1.518063362e+00 -1.518063362e+00 3.54 -1.471804663e+00 -1.471804663e+00 3.56 -1.426644121e+00 -1.426644121e+00 3.58 -1.382474485e+00 -1.382474485e+00 3.60 -1.339207005e+00 -1.339207005e+00 3.62 -1.296862549e+00 -1.296862549e+00 3.64 -1.255536131e+00 -1.255536131e+00 3.66 -1.215297003e+00 -1.215297003e+00 3.68 -1.176143127e+00 -1.176143127e+00 3.70 -1.138041689e+00 -1.138041689e+00 3.72 -1.100962898e+00 -1.100962898e+00 3.74 -1.064876105e+00 -1.064876105e+00 3.76 -1.029754995e+00 -1.029754995e+00 3.78 -9.955871398e-01 -9.955871398e-01 3.80 -9.623586915e-01 -9.623586915e-01 3.82 -9.300454105e-01 -9.300454105e-01 3.84 -8.986224012e-01 -8.986224012e-01 3.86 -8.680302477e-01 -8.680302477e-01 3.88 -8.382744087e-01 -8.382744087e-01 3.90 -8.093765741e-01 -8.093765741e-01 3.92 -7.812750603e-01 -7.812750603e-01 3.94 -7.539100282e-01 -7.539100282e-01 3.96 -7.272998185e-01 -7.272998185e-01 3.98 -7.015360514e-01 -7.015360514e-01 4.00 -6.767131602e-01 -6.767131602e-01 4.02 -6.527917663e-01 -6.527917663e-01 4.04 -6.297260502e-01 -6.297260502e-01 4.06 -6.074835163e-01 -6.074835163e-01 4.08 -5.861202811e-01 -5.861202811e-01 4.10 -5.655749451e-01 -5.655749451e-01 4.12 -5.456872811e-01 -5.456872811e-01 4.14 -5.262515322e-01 -5.262515322e-01 4.16 -5.071621024e-01 -5.071621024e-01 4.18 -4.886099765e-01 -4.886099765e-01 4.20 -4.701877953e-01 -4.701877953e-01 4.22 -4.518358016e-01 -4.518358016e-01 4.24 -4.335680680e-01 -4.335680680e-01 4.26 -4.154105832e-01 -4.154105832e-01 4.28 -3.973906593e-01 -3.973906593e-01 4.30 -3.795360953e-01 -3.795360953e-01 4.32 -3.618740385e-01 -3.618740385e-01 4.34 -3.444020004e-01 -3.444020004e-01 4.36 -3.271345684e-01 -3.271345684e-01 4.38 -3.101454381e-01 -3.101454381e-01 4.40 -2.935233333e-01 -2.935233333e-01 4.42 -2.773367231e-01 -2.773367231e-01 4.44 -2.616371233e-01 -2.616371233e-01 4.46 -2.464619176e-01 -2.464619176e-01 4.48 -2.318367620e-01 -2.318367620e-01 4.50 -2.177776288e-01 -2.177776288e-01 4.52 -2.042925418e-01 -2.042925418e-01 4.54 -1.913830481e-01 -1.913830481e-01 4.56 -1.790453238e-01 -1.790453238e-01 4.58 -1.672597307e-01 -1.672597307e-01 4.60 -1.563497594e-01 -1.563497594e-01 4.62 -1.462673424e-01 -1.462673424e-01 4.64 -1.366600575e-01 -1.366600575e-01 4.66 -1.275244630e-01 -1.275244630e-01 4.68 -1.188445429e-01 -1.188445429e-01 4.70 -1.106035264e-01 -1.106035264e-01 4.72 -1.027842166e-01 -1.027842166e-01 4.74 -9.536922180e-02 -9.536922180e-02 4.76 -8.834114341e-02 -8.834114341e-02 4.78 -8.168494832e-02 -8.168494832e-02 4.80 -7.538280901e-02 -7.538280901e-02 4.82 -7.003816063e-02 -7.003816063e-02 4.84 -6.501683225e-02 -6.501683225e-02 4.86 -6.026100390e-02 -6.026100390e-02 4.88 -5.575786776e-02 -5.575786776e-02 4.90 -5.149500047e-02 -5.149500047e-02 4.92 -4.746042709e-02 -4.746042709e-02 4.94 -4.364263350e-02 -4.364263350e-02 4.96 -4.003057217e-02 -4.003057217e-02 4.98 -3.661366297e-02 -3.661366297e-02 5.00 -3.338178973e-02 -3.338178973e-02 5.02 -3.032529415e-02 -3.032529415e-02 5.04 -2.743496679e-02 -2.743496679e-02 5.06 -2.470203521e-02 -2.470203521e-02 5.08 -2.211815141e-02 -2.211815141e-02 5.10 -1.967537804e-02 -1.967537804e-02 5.12 -1.736617394e-02 -1.736617394e-02 5.14 -1.518337894e-02 -1.518337894e-02 5.16 -1.312019830e-02 -1.312019830e-02 5.18 -1.117018731e-02 -1.117018731e-02 5.20 -9.327235923e-03 -9.327235923e-03 5.22 -7.585553677e-03 -7.585553677e-03 5.24 -5.939654488e-03 -5.939654488e-03 5.26 -4.384308910e-03 -4.384308910e-03 5.28 -2.916760206e-03 -2.916760206e-03 5.30 -1.579223687e-03 -1.579223687e-03 5.32 -1.362159982e-03 -1.362159982e-03 5.34 -1.192194653e-03 -1.192194653e-03 5.36 -1.040686191e-03 -1.040686191e-03 5.38 -8.986328668e-04 -8.986328668e-04 5.40 -7.654592712e-04 -7.654592712e-04 5.42 -6.406240490e-04 -6.406240490e-04 5.44 -5.236179336e-04 -5.236179336e-04 5.46 -4.139619029e-04 -4.139619029e-04 5.48 -3.112054439e-04 -3.112054439e-04 5.50 -2.149249150e-04 -2.149249150e-04 5.52 -1.247219770e-04 -1.247219770e-04 5.54 -3.968152535e-05 -3.968152535e-05 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 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