# 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 = AuCu2Pb # 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 2.322745955e+02 2.322745955e+02 1.30 2.154793621e+02 2.154793621e+02 1.32 1.999118286e+02 1.999118286e+02 1.34 1.854796721e+02 1.854796721e+02 1.36 1.720948126e+02 1.720948126e+02 1.38 1.596730866e+02 1.596730866e+02 1.40 1.481359464e+02 1.481359464e+02 1.42 1.374120712e+02 1.374120712e+02 1.44 1.274377700e+02 1.274377700e+02 1.46 1.181563742e+02 1.181563742e+02 1.48 1.095172015e+02 1.095172015e+02 1.50 1.014743840e+02 1.014743840e+02 1.52 9.398559586e+01 9.398559586e+01 1.54 8.701095964e+01 8.701095964e+01 1.56 8.051247157e+01 8.051247157e+01 1.58 7.445410895e+01 7.445410895e+01 1.60 6.880234010e+01 6.880234010e+01 1.62 6.352667553e+01 6.352667553e+01 1.64 5.860815084e+01 5.860815084e+01 1.66 5.403117598e+01 5.403117598e+01 1.68 4.977675507e+01 4.977675507e+01 1.70 4.582253767e+01 4.582253767e+01 1.72 4.214809114e+01 4.214809114e+01 1.74 3.873462813e+01 3.873462813e+01 1.76 3.556482628e+01 3.556482628e+01 1.78 3.262256098e+01 3.262256098e+01 1.80 2.989254056e+01 2.989254056e+01 1.82 2.736003702e+01 2.736003702e+01 1.84 2.501085093e+01 2.501085093e+01 1.86 2.283147832e+01 2.283147832e+01 1.88 2.080931372e+01 2.080931372e+01 1.90 1.893275190e+01 1.893275190e+01 1.92 1.719116536e+01 1.719116536e+01 1.94 1.557482812e+01 1.557482812e+01 1.96 1.407480833e+01 1.407480833e+01 1.98 1.268288091e+01 1.268288091e+01 2.00 1.139146013e+01 1.139146013e+01 2.02 1.019355212e+01 1.019355212e+01 2.04 9.082713789e+00 9.082713789e+00 2.06 8.053008754e+00 8.053008754e+00 2.08 7.098958392e+00 7.098958392e+00 2.10 6.215487401e+00 6.215487401e+00 2.12 5.397877790e+00 5.397877790e+00 2.14 4.641722352e+00 4.641722352e+00 2.16 3.942886692e+00 3.942886692e+00 2.18 3.297479507e+00 3.297479507e+00 2.20 2.701833361e+00 2.701833361e+00 2.22 2.152501930e+00 2.152501930e+00 2.24 1.646268787e+00 1.646268787e+00 2.26 1.180158420e+00 1.180158420e+00 2.28 7.514350501e-01 7.514350501e-01 2.30 3.575805644e-01 3.575805644e-01 2.32 -3.749863299e-03 -3.749863299e-03 2.34 -3.347670260e-01 -3.347670260e-01 2.36 -6.375835571e-01 -6.375835571e-01 2.38 -9.142225416e-01 -9.142225416e-01 2.40 -1.166608128e+00 -1.166608128e+00 2.42 -1.396547511e+00 -1.396547511e+00 2.44 -1.605715277e+00 -1.605715277e+00 2.46 -1.795646494e+00 -1.795646494e+00 2.48 -1.967740195e+00 -1.967740195e+00 2.50 -2.123271437e+00 -2.123271437e+00 2.52 -2.263408780e+00 -2.263408780e+00 2.54 -2.389233630e+00 -2.389233630e+00 2.56 -2.501758237e+00 -2.501758237e+00 2.58 -2.601952205e+00 -2.601952205e+00 2.60 -2.690793931e+00 -2.690793931e+00 2.62 -2.769097871e+00 -2.769097871e+00 2.64 -2.837633921e+00 -2.837633921e+00 2.66 -2.897388289e+00 -2.897388289e+00 2.68 -2.949249681e+00 -2.949249681e+00 2.70 -2.993452843e+00 -2.993452843e+00 2.72 -3.030282860e+00 -3.030282860e+00 2.74 -3.060072303e+00 -3.060072303e+00 2.76 -3.083178581e+00 -3.083178581e+00 2.78 -3.099961214e+00 -3.099961214e+00 2.80 -3.110772316e+00 -3.110772316e+00 2.82 -3.115951185e+00 -3.115951185e+00 2.84 -3.115854195e+00 -3.115854195e+00 2.86 -3.110823198e+00 -3.110823198e+00 2.88 -3.101173800e+00 -3.101173800e+00 2.90 -3.087204734e+00 -3.087204734e+00 2.92 -3.069206330e+00 -3.069206330e+00 2.94 -3.047466976e+00 -3.047466976e+00 2.96 -3.022277375e+00 -3.022277375e+00 2.98 -2.993932756e+00 -2.993932756e+00 3.00 -2.962733205e+00 -2.962733205e+00 3.02 -2.928982194e+00 -2.928982194e+00 3.04 -2.893004439e+00 -2.893004439e+00 3.06 -2.855110013e+00 -2.855110013e+00 3.08 -2.815549541e+00 -2.815549541e+00 3.10 -2.774565277e+00 -2.774565277e+00 3.12 -2.732382889e+00 -2.732382889e+00 3.14 -2.689208495e+00 -2.689208495e+00 3.16 -2.645220919e+00 -2.645220919e+00 3.18 -2.600573409e+00 -2.600573409e+00 3.20 -2.555391820e+00 -2.555391820e+00 3.22 -2.509769242e+00 -2.509769242e+00 3.24 -2.463774653e+00 -2.463774653e+00 3.26 -2.417460727e+00 -2.417460727e+00 3.28 -2.370867211e+00 -2.370867211e+00 3.30 -2.324024991e+00 -2.324024991e+00 3.32 -2.276960478e+00 -2.276960478e+00 3.34 -2.229699854e+00 -2.229699854e+00 3.36 -2.182272649e+00 -2.182272649e+00 3.38 -2.134714266e+00 -2.134714266e+00 3.40 -2.087067057e+00 -2.087067057e+00 3.42 -2.039381056e+00 -2.039381056e+00 3.44 -1.991711718e+00 -1.991711718e+00 3.46 -1.944118913e+00 -1.944118913e+00 3.48 -1.896664466e+00 -1.896664466e+00 3.50 -1.849409860e+00 -1.849409860e+00 3.52 -1.802414167e+00 -1.802414167e+00 3.54 -1.755732414e+00 -1.755732414e+00 3.56 -1.709414503e+00 -1.709414503e+00 3.58 -1.663504743e+00 -1.663504743e+00 3.60 -1.618041993e+00 -1.618041993e+00 3.62 -1.573060355e+00 -1.573060355e+00 3.64 -1.528590327e+00 -1.528590327e+00 3.66 -1.484660305e+00 -1.484660305e+00 3.68 -1.441298255e+00 -1.441298255e+00 3.70 -1.398533405e+00 -1.398533405e+00 3.72 -1.356397748e+00 -1.356397748e+00 3.74 -1.314927170e+00 -1.314927170e+00 3.76 -1.274162027e+00 -1.274162027e+00 3.78 -1.234147014e+00 -1.234147014e+00 3.80 -1.194930255e+00 -1.194930255e+00 3.82 -1.156561589e+00 -1.156561589e+00 3.84 -1.119090144e+00 -1.119090144e+00 3.86 -1.082561409e+00 -1.082561409e+00 3.88 -1.047014129e+00 -1.047014129e+00 3.90 -1.012477392e+00 -1.012477392e+00 3.92 -9.789679483e-01 -9.789679483e-01 3.94 -9.464902943e-01 -9.464902943e-01 3.96 -9.150339001e-01 -9.150339001e-01 3.98 -8.845755199e-01 -8.845755199e-01 4.00 -8.550802259e-01 -8.550802259e-01 4.02 -8.265034657e-01 -8.265034657e-01 4.04 -7.987934039e-01 -7.987934039e-01 4.06 -7.718932948e-01 -7.718932948e-01 4.08 -7.457437030e-01 -7.457437030e-01 4.10 -7.202834928e-01 -7.202834928e-01 4.12 -6.954556399e-01 -6.954556399e-01 4.14 -6.712022172e-01 -6.712022172e-01 4.16 -6.474702061e-01 -6.474702061e-01 4.18 -6.242114355e-01 -6.242114355e-01 4.20 -6.013836472e-01 -6.013836472e-01 4.22 -5.789515140e-01 -5.789515140e-01 4.24 -5.568876058e-01 -5.568876058e-01 4.26 -5.351732772e-01 -5.351732772e-01 4.28 -5.137994155e-01 -5.137994155e-01 4.30 -4.927669725e-01 -4.927669725e-01 4.32 -4.720871881e-01 -4.720871881e-01 4.34 -4.517814103e-01 -4.517814103e-01 4.36 -4.318804253e-01 -4.318804253e-01 4.38 -4.124232361e-01 -4.124232361e-01 4.40 -3.934552644e-01 -3.934552644e-01 4.42 -3.750260121e-01 -3.750260121e-01 4.44 -3.571862864e-01 -3.571862864e-01 4.46 -3.399851681e-01 -3.399851681e-01 4.48 -3.234669643e-01 -3.234669643e-01 4.50 -3.076684190e-01 -3.076684190e-01 4.52 -2.926164472e-01 -2.926164472e-01 4.54 -2.783266004e-01 -2.783266004e-01 4.56 -2.648023812e-01 -2.648023812e-01 4.58 -2.520354158e-01 -2.520354158e-01 4.60 -2.400063865e-01 -2.400063865e-01 4.62 -2.286865520e-01 -2.286865520e-01 4.64 -2.180396611e-01 -2.180396611e-01 4.66 -2.080240259e-01 -2.080240259e-01 4.68 -1.985945622e-01 -1.985945622e-01 4.70 -1.897046789e-01 -1.897046789e-01 4.72 -1.813078906e-01 -1.813078906e-01 4.74 -1.733584604e-01 -1.733584604e-01 4.76 -1.658142474e-01 -1.658142474e-01 4.78 -1.586366023e-01 -1.586366023e-01 4.80 -1.517895764e-01 -1.517895764e-01 4.82 -1.452436882e-01 -1.452436882e-01 4.84 -1.389709580e-01 -1.389709580e-01 4.86 -1.329485565e-01 -1.329485565e-01 4.88 -1.271577421e-01 -1.271577421e-01 4.90 -1.215836244e-01 -1.215836244e-01 4.92 -1.162148232e-01 -1.162148232e-01 4.94 -1.110430390e-01 -1.110430390e-01 4.96 -1.060625520e-01 -1.060625520e-01 4.98 -1.012696706e-01 -1.012696706e-01 5.00 -9.666215647e-02 -9.666215647e-02 5.02 -9.223865669e-02 -9.223865669e-02 5.04 -8.799817528e-02 -8.799817528e-02 5.06 -8.393961593e-02 -8.393961593e-02 5.08 -8.006141979e-02 -8.006141979e-02 5.10 -7.636131437e-02 -7.636131437e-02 5.12 -7.283617757e-02 -7.283617757e-02 5.14 -6.948200920e-02 -6.948200920e-02 5.16 -6.629399254e-02 -6.629399254e-02 5.18 -6.326662205e-02 -6.326662205e-02 5.20 -6.039387003e-02 -6.039387003e-02 5.22 -5.766936612e-02 -5.766936612e-02 5.24 -5.508656716e-02 -5.508656716e-02 5.26 -5.263889372e-02 -5.263889372e-02 5.28 -5.031976269e-02 -5.031976269e-02 5.30 -4.812283979e-02 -4.812283979e-02 5.32 -4.604200467e-02 -4.604200467e-02 5.34 -4.407131664e-02 -4.407131664e-02 5.36 -4.220499968e-02 -4.220499968e-02 5.38 -4.043741746e-02 -4.043741746e-02 5.40 -3.876304697e-02 -3.876304697e-02 5.42 -3.717645731e-02 -3.717645731e-02 5.44 -3.567229771e-02 -3.567229771e-02 5.46 -3.424529634e-02 -3.424529634e-02 5.48 -3.289026924e-02 -3.289026924e-02 5.50 -3.160213753e-02 -3.160213753e-02 5.52 -3.037594985e-02 -3.037594985e-02 5.54 -2.920690725e-02 -2.920690725e-02 5.56 -2.809038767e-02 -2.809038767e-02 5.58 -2.702196807e-02 -2.702196807e-02 5.60 -2.599744273e-02 -2.599744273e-02 5.62 -2.501283722e-02 -2.501283722e-02 5.64 -2.406441784e-02 -2.406441784e-02 5.66 -2.314869716e-02 -2.314869716e-02 5.68 -2.226243654e-02 -2.226243654e-02 5.70 -2.140264636e-02 -2.140264636e-02 5.72 -2.056658506e-02 -2.056658506e-02 5.74 -1.975175788e-02 -1.975175788e-02 5.76 -1.895591619e-02 -1.895591619e-02 5.78 -1.817705783e-02 -1.817705783e-02 5.80 -1.741342899e-02 -1.741342899e-02 5.82 -1.666352759e-02 -1.666352759e-02 5.84 -1.592610812e-02 -1.592610812e-02 5.86 -1.520018738e-02 -1.520018738e-02 5.88 -1.448505040e-02 -1.448505040e-02 5.90 -1.378025568e-02 -1.378025568e-02 5.92 -1.308563826e-02 -1.308563826e-02 5.94 -1.240130012e-02 -1.240130012e-02 5.96 -1.172755972e-02 -1.172755972e-02 5.98 -1.106506342e-02 -1.106506342e-02 6.00 -1.041471424e-02 -1.041471424e-02