# 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 = Ag2AuNi # 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 5.416266378e+02 5.416266378e+02 1.00 4.956283031e+02 4.956283031e+02 1.02 4.541750795e+02 4.541750795e+02 1.04 4.167594652e+02 4.167594652e+02 1.06 3.829349053e+02 3.829349053e+02 1.08 3.523082548e+02 3.523082548e+02 1.10 3.245311039e+02 3.245311039e+02 1.12 2.992972206e+02 2.992972206e+02 1.14 2.763365947e+02 2.763365947e+02 1.16 2.554119115e+02 2.554119115e+02 1.18 2.363074007e+02 2.363074007e+02 1.20 2.188370624e+02 2.188370624e+02 1.22 2.028349242e+02 2.028349242e+02 1.24 1.881536950e+02 1.881536950e+02 1.26 1.746615218e+02 1.746615218e+02 1.28 1.622413562e+02 1.622413562e+02 1.30 1.507904872e+02 1.507904872e+02 1.32 1.402176763e+02 1.402176763e+02 1.34 1.304406801e+02 1.304406801e+02 1.36 1.213871318e+02 1.213871318e+02 1.38 1.129934548e+02 1.129934548e+02 1.40 1.052024401e+02 1.052024401e+02 1.42 9.796061414e+01 9.796061414e+01 1.44 9.122294151e+01 9.122294151e+01 1.46 8.494820985e+01 8.494820985e+01 1.48 7.909871766e+01 7.909871766e+01 1.50 7.364177365e+01 7.364177365e+01 1.52 6.854770347e+01 6.854770347e+01 1.54 6.378891073e+01 6.378891073e+01 1.56 5.934106923e+01 5.934106923e+01 1.58 5.518177746e+01 5.518177746e+01 1.60 5.129066232e+01 5.129066232e+01 1.62 4.764722900e+01 4.764722900e+01 1.64 4.423594845e+01 4.423594845e+01 1.66 4.104191313e+01 4.104191313e+01 1.68 3.805101211e+01 3.805101211e+01 1.70 3.524984992e+01 3.524984992e+01 1.72 3.262534858e+01 3.262534858e+01 1.74 3.016748653e+01 3.016748653e+01 1.76 2.786579264e+01 2.786579264e+01 1.78 2.571054957e+01 2.571054957e+01 1.80 2.369271968e+01 2.369271968e+01 1.82 2.180388248e+01 2.180388248e+01 1.84 2.003617917e+01 2.003617917e+01 1.86 1.838199860e+01 1.838199860e+01 1.88 1.678285023e+01 1.678285023e+01 1.90 1.532671099e+01 1.532671099e+01 1.92 1.395176047e+01 1.395176047e+01 1.94 1.265492328e+01 1.265492328e+01 1.96 1.143321217e+01 1.143321217e+01 1.98 1.028317014e+01 1.028317014e+01 2.00 9.201891529e+00 9.201891529e+00 2.02 8.186348057e+00 8.186348057e+00 2.04 7.233572109e+00 7.233572109e+00 2.06 6.340685133e+00 6.340685133e+00 2.08 5.504885596e+00 5.504885596e+00 2.10 4.723321951e+00 4.723321951e+00 2.12 3.993585670e+00 3.993585670e+00 2.14 3.313155155e+00 3.313155155e+00 2.16 2.679378001e+00 2.679378001e+00 2.18 2.090285162e+00 2.090285162e+00 2.20 1.543844233e+00 1.543844233e+00 2.22 1.037244725e+00 1.037244725e+00 2.24 5.685836920e-01 5.685836920e-01 2.26 1.359455238e-01 1.359455238e-01 2.28 -2.625988217e-01 -2.625988217e-01 2.30 -6.289027727e-01 -6.289027727e-01 2.32 -9.647465248e-01 -9.647465248e-01 2.34 -1.271839369e+00 -1.271839369e+00 2.36 -1.551792834e+00 -1.551792834e+00 2.38 -1.806046029e+00 -1.806046029e+00 2.40 -2.036298700e+00 -2.036298700e+00 2.42 -2.244109211e+00 -2.244109211e+00 2.44 -2.430639459e+00 -2.430639459e+00 2.46 -2.597087791e+00 -2.597087791e+00 2.48 -2.744972801e+00 -2.744972801e+00 2.50 -2.875502275e+00 -2.875502275e+00 2.52 -2.990184738e+00 -2.990184738e+00 2.54 -3.089905751e+00 -3.089905751e+00 2.56 -3.175526712e+00 -3.175526712e+00 2.58 -3.248046133e+00 -3.248046133e+00 2.60 -3.308412005e+00 -3.308412005e+00 2.62 -3.357522871e+00 -3.357522871e+00 2.64 -3.396229935e+00 -3.396229935e+00 2.66 -3.425259937e+00 -3.425259937e+00 2.68 -3.445440664e+00 -3.445440664e+00 2.70 -3.457441063e+00 -3.457441063e+00 2.72 -3.461933748e+00 -3.461933748e+00 2.74 -3.459606728e+00 -3.459606728e+00 2.76 -3.451051617e+00 -3.451051617e+00 2.78 -3.436851099e+00 -3.436851099e+00 2.80 -3.417574042e+00 -3.417574042e+00 2.82 -3.393628160e+00 -3.393628160e+00 2.84 -3.364957390e+00 -3.364957390e+00 2.86 -3.332444486e+00 -3.332444486e+00 2.88 -3.296539550e+00 -3.296539550e+00 2.90 -3.257637370e+00 -3.257637370e+00 2.92 -3.216413048e+00 -3.216413048e+00 2.94 -3.172783195e+00 -3.172783195e+00 2.96 -3.127311526e+00 -3.127311526e+00 2.98 -3.079967484e+00 -3.079967484e+00 3.00 -3.031000548e+00 -3.031000548e+00 3.02 -2.980640787e+00 -2.980640787e+00 3.04 -2.929104681e+00 -2.929104681e+00 3.06 -2.876484280e+00 -2.876484280e+00 3.08 -2.822785036e+00 -2.822785036e+00 3.10 -2.768336287e+00 -2.768336287e+00 3.12 -2.713395476e+00 -2.713395476e+00 3.14 -2.658137850e+00 -2.658137850e+00 3.16 -2.602684693e+00 -2.602684693e+00 3.18 -2.547150977e+00 -2.547150977e+00 3.20 -2.491641453e+00 -2.491641453e+00 3.22 -2.436251595e+00 -2.436251595e+00 3.24 -2.381068257e+00 -2.381068257e+00 3.26 -2.326170329e+00 -2.326170329e+00 3.28 -2.271629396e+00 -2.271629396e+00 3.30 -2.217510107e+00 -2.217510107e+00 3.32 -2.163870542e+00 -2.163870542e+00 3.34 -2.110763243e+00 -2.110763243e+00 3.36 -2.058235257e+00 -2.058235257e+00 3.38 -2.006328004e+00 -2.006328004e+00 3.40 -1.955099569e+00 -1.955099569e+00 3.42 -1.904854874e+00 -1.904854874e+00 3.44 -1.855347221e+00 -1.855347221e+00 3.46 -1.806517542e+00 -1.806517542e+00 3.48 -1.758282236e+00 -1.758282236e+00 3.50 -1.710756175e+00 -1.710756175e+00 3.52 -1.664045011e+00 -1.664045011e+00 3.54 -1.618146562e+00 -1.618146562e+00 3.56 -1.573066815e+00 -1.573066815e+00 3.58 -1.528813047e+00 -1.528813047e+00 3.60 -1.485397794e+00 -1.485397794e+00 3.62 -1.442835685e+00 -1.442835685e+00 3.64 -1.401113739e+00 -1.401113739e+00 3.66 -1.360215767e+00 -1.360215767e+00 3.68 -1.320134014e+00 -1.320134014e+00 3.70 -1.280868717e+00 -1.280868717e+00 3.72 -1.242419556e+00 -1.242419556e+00 3.74 -1.204790634e+00 -1.204790634e+00 3.76 -1.167989833e+00 -1.167989833e+00 3.78 -1.132002376e+00 -1.132002376e+00 3.80 -1.096803913e+00 -1.096803913e+00 3.82 -1.062392615e+00 -1.062392615e+00 3.84 -1.028785110e+00 -1.028785110e+00 3.86 -9.959874581e-01 -9.959874581e-01 3.88 -9.639174657e-01 -9.639174657e-01 3.90 -9.323866062e-01 -9.323866062e-01 3.92 -9.014412599e-01 -9.014412599e-01 3.94 -8.712760443e-01 -8.712760443e-01 3.96 -8.420663642e-01 -8.420663642e-01 3.98 -8.139383767e-01 -8.139383767e-01 4.00 -7.870077794e-01 -7.870077794e-01 4.02 -7.613605632e-01 -7.613605632e-01 4.04 -7.371065134e-01 -7.371065134e-01 4.06 -7.140053840e-01 -7.140053840e-01 4.08 -6.915577017e-01 -6.915577017e-01 4.10 -6.693732228e-01 -6.693732228e-01 4.12 -6.471817736e-01 -6.471817736e-01 4.14 -6.248098265e-01 -6.248098265e-01 4.16 -6.022230515e-01 -6.022230515e-01 4.18 -5.797965524e-01 -5.797965524e-01 4.20 -5.570456540e-01 -5.570456540e-01 4.22 -5.340034506e-01 -5.340034506e-01 4.24 -5.106907371e-01 -5.106907371e-01 4.26 -4.871758780e-01 -4.871758780e-01 4.28 -4.634760823e-01 -4.634760823e-01 4.30 -4.398144683e-01 -4.398144683e-01 4.32 -4.164290185e-01 -4.164290185e-01 4.34 -3.935038295e-01 -3.935038295e-01 4.36 -3.711786160e-01 -3.711786160e-01 4.38 -3.495566884e-01 -3.495566884e-01 4.40 -3.287116324e-01 -3.287116324e-01 4.42 -3.086928942e-01 -3.086928942e-01 4.44 -2.895304341e-01 -2.895304341e-01 4.46 -2.712386023e-01 -2.712386023e-01 4.48 -2.538193580e-01 -2.538193580e-01 4.50 -2.372649299e-01 -2.372649299e-01 4.52 -2.215600104e-01 -2.215600104e-01 4.54 -2.066835614e-01 -2.066835614e-01 4.56 -1.926102962e-01 -1.926102962e-01 4.58 -1.793118815e-01 -1.793118815e-01 4.60 -1.667579136e-01 -1.667579136e-01 4.62 -1.549167063e-01 -1.549167063e-01 4.64 -1.437559207e-01 -1.437559207e-01 4.66 -1.332430634e-01 -1.332430634e-01 4.68 -1.233458764e-01 -1.233458764e-01 4.70 -1.140326416e-01 -1.140326416e-01 4.72 -1.052724076e-01 -1.052724076e-01 4.74 -9.703516084e-02 -9.703516084e-02 4.76 -8.929194764e-02 -8.929194764e-02 4.78 -8.201901796e-02 -8.201901796e-02 4.80 -7.518236746e-02 -7.518236746e-02 4.82 -7.006309666e-02 -7.006309666e-02 4.84 -6.539027088e-02 -6.539027088e-02 4.86 -6.099255349e-02 -6.099255349e-02 4.88 -5.685430759e-02 -5.685430759e-02 4.90 -5.296064649e-02 -5.296064649e-02 4.92 -4.929748186e-02 -4.929748186e-02 4.94 -4.585149119e-02 -4.585149119e-02 4.96 -4.261008395e-02 -4.261008395e-02 4.98 -3.956136781e-02 -3.956136781e-02 5.00 -3.669411530e-02 -3.669411530e-02 5.02 -3.399773115e-02 -3.399773115e-02 5.04 -3.146222027e-02 -3.146222027e-02 5.06 -2.907815635e-02 -2.907815635e-02 5.08 -2.683665177e-02 -2.683665177e-02 5.10 -2.472932866e-02 -2.472932866e-02 5.12 -2.274829141e-02 -2.274829141e-02 5.14 -2.088610000e-02 -2.088610000e-02 5.16 -1.913574454e-02 -1.913574454e-02 5.18 -1.749062126e-02 -1.749062126e-02 5.20 -1.594450963e-02 -1.594450963e-02 5.22 -1.449155086e-02 -1.449155086e-02 5.24 -1.312622712e-02 -1.312622712e-02 5.26 -1.184334202e-02 -1.184334202e-02 5.28 -1.063800225e-02 -1.063800225e-02 5.30 -9.505600245e-03 -9.505600245e-03 5.32 -8.441797811e-03 -8.441797811e-03 5.34 -7.442510432e-03 -7.442510432e-03 5.36 -6.503892662e-03 -6.503892662e-03 5.38 -5.622324335e-03 -5.622324335e-03 5.40 -4.794397640e-03 -4.794397640e-03 5.42 -4.016904761e-03 -4.016904761e-03 5.44 -3.286826253e-03 -3.286826253e-03 5.46 -2.601320141e-03 -2.601320141e-03 5.48 -1.957711677e-03 -1.957711677e-03 5.50 -1.353483698e-03 -1.353483698e-03 5.52 -7.862673990e-04 -7.862673990e-04 5.54 -2.504178055e-04 -2.504178055e-04 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