# 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 = Ni2PbPd # 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 2.355730378e+02 2.355730378e+02 1.30 2.184597593e+02 2.184597593e+02 1.32 2.025943486e+02 2.025943486e+02 1.34 1.878805933e+02 1.878805933e+02 1.36 1.742301076e+02 1.742301076e+02 1.38 1.615600500e+02 1.615600500e+02 1.40 1.497929059e+02 1.497929059e+02 1.42 1.388573673e+02 1.388573673e+02 1.44 1.286889422e+02 1.286889422e+02 1.46 1.192298727e+02 1.192298727e+02 1.48 1.104285049e+02 1.104285049e+02 1.50 1.022382811e+02 1.022382811e+02 1.52 9.461641471e+01 9.461641471e+01 1.54 8.752255139e+01 8.752255139e+01 1.56 8.091789619e+01 8.091789619e+01 1.58 7.476513551e+01 7.476513551e+01 1.60 6.902895915e+01 6.902895915e+01 1.62 6.367683082e+01 6.367683082e+01 1.64 5.867954177e+01 5.867954177e+01 1.66 5.401697118e+01 5.401697118e+01 1.68 4.968570662e+01 4.968570662e+01 1.70 4.566429048e+01 4.566429048e+01 1.72 4.193086312e+01 4.193086312e+01 1.74 3.846492527e+01 3.846492527e+01 1.76 3.524734607e+01 3.524734607e+01 1.78 3.226053626e+01 3.226053626e+01 1.80 2.948850164e+01 2.948850164e+01 1.82 2.691667789e+01 2.691667789e+01 1.84 2.453163434e+01 2.453163434e+01 1.86 2.232079567e+01 2.232079567e+01 1.88 2.027224485e+01 2.027224485e+01 1.90 1.837460315e+01 1.837460315e+01 1.92 1.661699680e+01 1.661699680e+01 1.94 1.498912208e+01 1.498912208e+01 1.96 1.348133938e+01 1.348133938e+01 1.98 1.208474942e+01 1.208474942e+01 2.00 1.079120500e+01 1.079120500e+01 2.02 9.593265223e+00 9.593265223e+00 2.04 8.484120236e+00 8.484120236e+00 2.06 7.457518474e+00 7.457518474e+00 2.08 6.507711901e+00 6.507711901e+00 2.10 5.629414821e+00 5.629414821e+00 2.12 4.817770781e+00 4.817770781e+00 2.14 4.068311477e+00 4.068311477e+00 2.16 3.376910766e+00 3.376910766e+00 2.18 2.739735061e+00 2.739735061e+00 2.20 2.153195476e+00 2.153195476e+00 2.22 1.613913031e+00 1.613913031e+00 2.24 1.118699583e+00 1.118699583e+00 2.26 6.645540594e-01 6.645540594e-01 2.28 2.486623986e-01 2.486623986e-01 2.30 -1.316069159e-01 -1.316069159e-01 2.32 -4.787293339e-01 -4.787293339e-01 2.34 -7.950516028e-01 -7.950516028e-01 2.36 -1.082824005e+00 -1.082824005e+00 2.38 -1.344210513e+00 -1.344210513e+00 2.40 -1.581279817e+00 -1.581279817e+00 2.42 -1.795985177e+00 -1.795985177e+00 2.44 -1.990145896e+00 -1.990145896e+00 2.46 -2.165437886e+00 -2.165437886e+00 2.48 -2.323393379e+00 -2.323393379e+00 2.50 -2.465404693e+00 -2.465404693e+00 2.52 -2.592724163e+00 -2.592724163e+00 2.54 -2.706473778e+00 -2.706473778e+00 2.56 -2.807651112e+00 -2.807651112e+00 2.58 -2.897183254e+00 -2.897183254e+00 2.60 -2.976166737e+00 -2.976166737e+00 2.62 -3.045220684e+00 -3.045220684e+00 2.64 -3.104846025e+00 -3.104846025e+00 2.66 -3.155400479e+00 -3.155400479e+00 2.68 -3.197125121e+00 -3.197125121e+00 2.70 -3.230331968e+00 -3.230331968e+00 2.72 -3.255406489e+00 -3.255406489e+00 2.74 -3.272795313e+00 -3.272795313e+00 2.76 -3.283010815e+00 -3.283010815e+00 2.78 -3.286614083e+00 -3.286614083e+00 2.80 -3.284158766e+00 -3.284158766e+00 2.82 -3.276170836e+00 -3.276170836e+00 2.84 -3.263140657e+00 -3.263140657e+00 2.86 -3.245521554e+00 -3.245521554e+00 2.88 -3.223734372e+00 -3.223734372e+00 2.90 -3.198174113e+00 -3.198174113e+00 2.92 -3.169215175e+00 -3.169215175e+00 2.94 -3.137213196e+00 -3.137213196e+00 2.96 -3.102503422e+00 -3.102503422e+00 2.98 -3.065397120e+00 -3.065397120e+00 3.00 -3.026178148e+00 -3.026178148e+00 3.02 -2.985101439e+00 -2.985101439e+00 3.04 -2.942404525e+00 -2.942404525e+00 3.06 -2.898319249e+00 -2.898319249e+00 3.08 -2.852993868e+00 -2.852993868e+00 3.10 -2.806566557e+00 -2.806566557e+00 3.12 -2.759173564e+00 -2.759173564e+00 3.14 -2.710953997e+00 -2.710953997e+00 3.16 -2.662046078e+00 -2.662046078e+00 3.18 -2.612589529e+00 -2.612589529e+00 3.20 -2.562721982e+00 -2.562721982e+00 3.22 -2.512568997e+00 -2.512568997e+00 3.24 -2.462244618e+00 -2.462244618e+00 3.26 -2.411855236e+00 -2.411855236e+00 3.28 -2.361497238e+00 -2.361497238e+00 3.30 -2.311255792e+00 -2.311255792e+00 3.32 -2.261204743e+00 -2.261204743e+00 3.34 -2.211407319e+00 -2.211407319e+00 3.36 -2.161917223e+00 -2.161917223e+00 3.38 -2.112779763e+00 -2.112779763e+00 3.40 -2.064032611e+00 -2.064032611e+00 3.42 -2.015707216e+00 -2.015707216e+00 3.44 -1.967828072e+00 -1.967828072e+00 3.46 -1.920413905e+00 -1.920413905e+00 3.48 -1.873477823e+00 -1.873477823e+00 3.50 -1.827027841e+00 -1.827027841e+00 3.52 -1.781067599e+00 -1.781067599e+00 3.54 -1.735597300e+00 -1.735597300e+00 3.56 -1.690614806e+00 -1.690614806e+00 3.58 -1.646116835e+00 -1.646116835e+00 3.60 -1.602100160e+00 -1.602100160e+00 3.62 -1.558562742e+00 -1.558562742e+00 3.64 -1.515504720e+00 -1.515504720e+00 3.66 -1.472929256e+00 -1.472929256e+00 3.68 -1.430843200e+00 -1.430843200e+00 3.70 -1.389257623e+00 -1.389257623e+00 3.72 -1.348188209e+00 -1.348188209e+00 3.74 -1.307655556e+00 -1.307655556e+00 3.76 -1.267685358e+00 -1.267685358e+00 3.78 -1.228308469e+00 -1.228308469e+00 3.80 -1.189560739e+00 -1.189560739e+00 3.82 -1.151482526e+00 -1.151482526e+00 3.84 -1.114117723e+00 -1.114117723e+00 3.86 -1.077512178e+00 -1.077512178e+00 3.88 -1.041711508e+00 -1.041711508e+00 3.90 -1.006758412e+00 -1.006758412e+00 3.92 -9.726894765e-01 -9.726894765e-01 3.94 -9.395339766e-01 -9.395339766e-01 3.96 -9.073096848e-01 -9.073096848e-01 3.98 -8.760235189e-01 -8.760235189e-01 4.00 -8.456713224e-01 -8.456713224e-01 4.02 -8.162391011e-01 -8.162391011e-01 4.04 -7.877049973e-01 -7.877049973e-01 4.06 -7.600415981e-01 -7.600415981e-01 4.08 -7.332181631e-01 -7.332181631e-01 4.10 -7.072013837e-01 -7.072013837e-01 4.12 -6.819610004e-01 -6.819610004e-01 4.14 -6.574633971e-01 -6.574633971e-01 4.16 -6.336764574e-01 -6.336764574e-01 4.18 -6.105678840e-01 -6.105678840e-01 4.20 -5.881046966e-01 -5.881046966e-01 4.22 -5.662528662e-01 -5.662528662e-01 4.24 -5.449772881e-01 -5.449772881e-01 4.26 -5.242422163e-01 -5.242422163e-01 4.28 -5.040121870e-01 -5.040121870e-01 4.30 -4.842533736e-01 -4.842533736e-01 4.32 -4.649352428e-01 -4.649352428e-01 4.34 -4.460323332e-01 -4.460323332e-01 4.36 -4.275259496e-01 -4.275259496e-01 4.38 -4.094055570e-01 -4.094055570e-01 4.40 -3.916696715e-01 -3.916696715e-01 4.42 -3.743260774e-01 -3.743260774e-01 4.44 -3.573912611e-01 -3.573912611e-01 4.46 -3.408890369e-01 -3.408890369e-01 4.48 -3.248484468e-01 -3.248484468e-01 4.50 -3.093011265e-01 -3.093011265e-01 4.52 -2.942784233e-01 -2.942784233e-01 4.54 -2.798086030e-01 -2.798086030e-01 4.56 -2.659144783e-01 -2.659144783e-01 4.58 -2.526117258e-01 -2.526117258e-01 4.60 -2.399080407e-01 -2.399080407e-01 4.62 -2.278031470e-01 -2.278031470e-01 4.64 -2.162895694e-01 -2.162895694e-01 4.66 -2.053539481e-01 -2.053539481e-01 4.68 -1.949786372e-01 -1.949786372e-01 4.70 -1.851433546e-01 -1.851433546e-01 4.72 -1.758266643e-01 -1.758266643e-01 4.74 -1.670065237e-01 -1.670065237e-01 4.76 -1.586622825e-01 -1.586622825e-01 4.78 -1.507750612e-01 -1.507750612e-01 4.80 -1.433260035e-01 -1.433260035e-01 4.82 -1.362995035e-01 -1.362995035e-01 4.84 -1.296777275e-01 -1.296777275e-01 4.86 -1.234438472e-01 -1.234438472e-01 4.88 -1.175807336e-01 -1.175807336e-01 4.90 -1.120706946e-01 -1.120706946e-01 4.92 -1.068953486e-01 -1.068953486e-01 4.94 -1.020356387e-01 -1.020356387e-01 4.96 -9.747197622e-02 -9.747197622e-02 4.98 -9.318447736e-02 -9.318447736e-02 5.00 -8.915325778e-02 -8.915325778e-02 5.02 -8.535874675e-02 -8.535874675e-02 5.04 -8.178199049e-02 -8.178199049e-02 5.06 -7.840492142e-02 -7.840492142e-02 5.08 -7.521057995e-02 -7.521057995e-02 5.10 -7.218328130e-02 -7.218328130e-02 5.12 -6.930872484e-02 -6.930872484e-02 5.14 -6.657405099e-02 -6.657405099e-02 5.16 -6.396784967e-02 -6.396784967e-02 5.18 -6.148012595e-02 -6.148012595e-02 5.20 -5.910222918e-02 -5.910222918e-02 5.22 -5.682675138e-02 -5.682675138e-02 5.24 -5.464740103e-02 -5.464740103e-02 5.26 -5.255885463e-02 -5.255885463e-02 5.28 -5.055656251e-02 -5.055656251e-02 5.30 -4.863667736e-02 -4.863667736e-02 5.32 -4.679586108e-02 -4.679586108e-02 5.34 -4.503111545e-02 -4.503111545e-02 5.36 -4.333964786e-02 -4.333964786e-02 5.38 -4.171875812e-02 -4.171875812e-02 5.40 -4.016574981e-02 -4.016574981e-02 5.42 -3.867786769e-02 -3.867786769e-02 5.44 -3.725226025e-02 -3.725226025e-02 5.46 -3.588596508e-02 -3.588596508e-02 5.48 -3.457591317e-02 -3.457591317e-02 5.50 -3.331894751e-02 -3.331894751e-02 5.52 -3.211185130e-02 -3.211185130e-02 5.54 -3.095138141e-02 -3.095138141e-02 5.56 -2.983430326e-02 -2.983430326e-02 5.58 -2.875742445e-02 -2.875742445e-02 5.60 -2.771762522e-02 -2.771762522e-02 5.62 -2.671188467e-02 -2.671188467e-02 5.64 -2.573730238e-02 -2.573730238e-02 5.66 -2.479111600e-02 -2.479111600e-02 5.68 -2.387071524e-02 -2.387071524e-02 5.70 -2.297365317e-02 -2.297365317e-02 5.72 -2.209765570e-02 -2.209765570e-02 5.74 -2.124063023e-02 -2.124063023e-02 5.76 -2.040067417e-02 -2.040067417e-02 5.78 -1.957608396e-02 -1.957608396e-02 5.80 -1.876536500e-02 -1.876536500e-02 5.82 -1.796724250e-02 -1.796724250e-02 5.84 -1.718067316e-02 -1.718067316e-02 5.86 -1.640485724e-02 -1.640485724e-02 5.88 -1.563925015e-02 -1.563925015e-02 5.90 -1.488357269e-02 -1.488357269e-02 5.92 -1.413781846e-02 -1.413781846e-02 5.94 -1.340224397e-02 -1.340224397e-02 5.96 -1.267731476e-02 -1.267731476e-02 5.98 -1.196384514e-02 -1.196384514e-02 6.00 -1.126291227e-02 -1.126291227e-02