# 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 = AuPdW2 # 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 4.544362930e+02 4.544362930e+02 1.30 4.212719837e+02 4.212719837e+02 1.32 3.905653255e+02 3.905653255e+02 1.34 3.621097724e+02 3.621097724e+02 1.36 3.357249208e+02 3.357249208e+02 1.38 3.112530612e+02 3.112530612e+02 1.40 2.885543469e+02 2.885543469e+02 1.42 2.675009551e+02 2.675009551e+02 1.44 2.479725079e+02 2.479725079e+02 1.46 2.298541947e+02 2.298541947e+02 1.48 2.130370384e+02 2.130370384e+02 1.50 1.974190430e+02 1.974190430e+02 1.52 1.829062505e+02 1.829062505e+02 1.54 1.694131195e+02 1.694131195e+02 1.56 1.568620633e+02 1.568620633e+02 1.58 1.451823915e+02 1.451823915e+02 1.60 1.343091025e+02 1.343091025e+02 1.62 1.241818852e+02 1.241818852e+02 1.64 1.147444582e+02 1.147444582e+02 1.66 1.059442148e+02 1.059442148e+02 1.68 9.773214539e+01 9.773214539e+01 1.70 9.006303097e+01 9.006303097e+01 1.72 8.289584498e+01 8.289584498e+01 1.74 7.619422602e+01 7.619422602e+01 1.76 6.992682737e+01 6.992682737e+01 1.78 6.406730119e+01 6.406730119e+01 1.80 5.859371256e+01 5.859371256e+01 1.82 5.348737417e+01 5.348737417e+01 1.84 4.873134760e+01 4.873134760e+01 1.86 4.430979391e+01 4.430979391e+01 1.88 4.020608072e+01 4.020608072e+01 1.90 3.640389106e+01 3.640389106e+01 1.92 3.290066059e+01 3.290066059e+01 1.94 2.968518594e+01 2.968518594e+01 1.96 2.673344552e+01 2.673344552e+01 1.98 2.402280341e+01 2.402280341e+01 2.00 2.153237762e+01 2.153237762e+01 2.02 1.924306975e+01 1.924306975e+01 2.04 1.713746863e+01 1.713746863e+01 2.06 1.519968023e+01 1.519968023e+01 2.08 1.341513624e+01 1.341513624e+01 2.10 1.177043450e+01 1.177043450e+01 2.12 1.025324887e+01 1.025324887e+01 2.14 8.852313340e+00 8.852313340e+00 2.16 7.557451604e+00 7.557451604e+00 2.18 6.359606690e+00 6.359606690e+00 2.20 5.250831113e+00 5.250831113e+00 2.22 4.224219573e+00 4.224219573e+00 2.24 3.273790160e+00 3.273790160e+00 2.26 2.394335255e+00 2.394335255e+00 2.28 1.581266825e+00 1.581266825e+00 2.30 8.304756209e-01 8.304756209e-01 2.32 1.382150171e-01 1.382150171e-01 2.34 -4.989879067e-01 -4.989879067e-01 2.36 -1.084396938e+00 -1.084396938e+00 2.38 -1.621112125e+00 -1.621112125e+00 2.40 -2.112101009e+00 -2.112101009e+00 2.42 -2.560219128e+00 -2.560219128e+00 2.44 -2.968221219e+00 -2.968221219e+00 2.46 -3.338741060e+00 -3.338741060e+00 2.48 -3.674159344e+00 -3.674159344e+00 2.50 -3.977035167e+00 -3.977035167e+00 2.52 -4.249830520e+00 -4.249830520e+00 2.54 -4.494810564e+00 -4.494810564e+00 2.56 -4.714033101e+00 -4.714033101e+00 2.58 -4.909349195e+00 -4.909349195e+00 2.60 -5.082415041e+00 -5.082415041e+00 2.62 -5.234618067e+00 -5.234618067e+00 2.64 -5.366675903e+00 -5.366675903e+00 2.66 -5.479115682e+00 -5.479115682e+00 2.68 -5.572504640e+00 -5.572504640e+00 2.70 -5.647442392e+00 -5.647442392e+00 2.72 -5.704556162e+00 -5.704556162e+00 2.74 -5.744498098e+00 -5.744498098e+00 2.76 -5.767943652e+00 -5.767943652e+00 2.78 -5.775590630e+00 -5.775590630e+00 2.80 -5.768159413e+00 -5.768159413e+00 2.82 -5.746395376e+00 -5.746395376e+00 2.84 -5.711074478e+00 -5.711074478e+00 2.86 -5.663012222e+00 -5.663012222e+00 2.88 -5.603075059e+00 -5.603075059e+00 2.90 -5.532192037e+00 -5.532192037e+00 2.92 -5.451363603e+00 -5.451363603e+00 2.94 -5.361894912e+00 -5.361894912e+00 2.96 -5.265086054e+00 -5.265086054e+00 2.98 -5.162002771e+00 -5.162002771e+00 3.00 -5.053633874e+00 -5.053633874e+00 3.02 -4.940987907e+00 -4.940987907e+00 3.04 -4.825058349e+00 -4.825058349e+00 3.06 -4.706775895e+00 -4.706775895e+00 3.08 -4.586966508e+00 -4.586966508e+00 3.10 -4.466347128e+00 -4.466347128e+00 3.12 -4.345512252e+00 -4.345512252e+00 3.14 -4.224876498e+00 -4.224876498e+00 3.16 -4.104688842e+00 -4.104688842e+00 3.18 -3.985054123e+00 -3.985054123e+00 3.20 -3.865959657e+00 -3.865959657e+00 3.22 -3.747305949e+00 -3.747305949e+00 3.24 -3.628938715e+00 -3.628938715e+00 3.26 -3.510680157e+00 -3.510680157e+00 3.28 -3.392358155e+00 -3.392358155e+00 3.30 -3.273832592e+00 -3.273832592e+00 3.32 -3.155018282e+00 -3.155018282e+00 3.34 -3.035903991e+00 -3.035903991e+00 3.36 -2.916566893e+00 -2.916566893e+00 3.38 -2.797181661e+00 -2.797181661e+00 3.40 -2.678023277e+00 -2.678023277e+00 3.42 -2.559462811e+00 -2.559462811e+00 3.44 -2.441955822e+00 -2.441955822e+00 3.46 -2.326023682e+00 -2.326023682e+00 3.48 -2.212228938e+00 -2.212228938e+00 3.50 -2.101146675e+00 -2.101146675e+00 3.52 -1.993334436e+00 -1.993334436e+00 3.54 -1.889303553e+00 -1.889303553e+00 3.56 -1.789494563e+00 -1.789494563e+00 3.58 -1.694258800e+00 -1.694258800e+00 3.60 -1.603847365e+00 -1.603847365e+00 3.62 -1.518407700e+00 -1.518407700e+00 3.64 -1.437987082e+00 -1.437987082e+00 3.66 -1.362541703e+00 -1.362541703e+00 3.68 -1.291949625e+00 -1.291949625e+00 3.70 -1.226025868e+00 -1.226025868e+00 3.72 -1.164538044e+00 -1.164538044e+00 3.74 -1.107221293e+00 -1.107221293e+00 3.76 -1.053791653e+00 -1.053791653e+00 3.78 -1.003957379e+00 -1.003957379e+00 3.80 -9.574280300e-01 -9.574280300e-01 3.82 -9.139213820e-01 -9.139213820e-01 3.84 -8.731683797e-01 -8.731683797e-01 3.86 -8.349164286e-01 -8.349164286e-01 3.88 -7.989313513e-01 -7.989313513e-01 3.90 -7.649983273e-01 -7.649983273e-01 3.92 -7.329221000e-01 -7.329221000e-01 3.94 -7.025266914e-01 -7.025266914e-01 3.96 -6.736547990e-01 -6.736547990e-01 3.98 -6.461670149e-01 -6.461670149e-01 4.00 -6.199409368e-01 -6.199409368e-01 4.02 -5.948702049e-01 -5.948702049e-01 4.04 -5.708634626e-01 -5.708634626e-01 4.06 -5.478432113e-01 -5.478432113e-01 4.08 -5.257445250e-01 -5.257445250e-01 4.10 -5.045135990e-01 -5.045135990e-01 4.12 -4.841061428e-01 -4.841061428e-01 4.14 -4.644856352e-01 -4.644856352e-01 4.16 -4.456215507e-01 -4.456215507e-01 4.18 -4.274876374e-01 -4.274876374e-01 4.20 -4.100603675e-01 -4.100603675e-01 4.22 -3.933176459e-01 -3.933176459e-01 4.24 -3.772378270e-01 -3.772378270e-01 4.26 -3.617990378e-01 -3.617990378e-01 4.28 -3.469787574e-01 -3.469787574e-01 4.30 -3.327535847e-01 -3.327535847e-01 4.32 -3.190991162e-01 -3.190991162e-01 4.34 -3.059898514e-01 -3.059898514e-01 4.36 -2.933989314e-01 -2.933989314e-01 4.38 -2.812987528e-01 -2.812987528e-01 4.40 -2.696606118e-01 -2.696606118e-01 4.42 -2.584546848e-01 -2.584546848e-01 4.44 -2.476502686e-01 -2.476502686e-01 4.46 -2.372161208e-01 -2.372161208e-01 4.48 -2.271208618e-01 -2.271208618e-01 4.50 -2.173334789e-01 -2.173334789e-01 4.52 -2.078241349e-01 -2.078241349e-01 4.54 -1.985645801e-01 -1.985645801e-01 4.56 -1.895287691e-01 -1.895287691e-01 4.58 -1.806934757e-01 -1.806934757e-01 4.60 -1.720388585e-01 -1.720388585e-01 4.62 -1.635489542e-01 -1.635489542e-01 4.64 -1.552120692e-01 -1.552120692e-01 4.66 -1.470210414e-01 -1.470210414e-01 4.68 -1.389733391e-01 -1.389733391e-01 4.70 -1.310709731e-01 -1.310709731e-01 4.72 -1.233202020e-01 -1.233202020e-01 4.74 -1.157310318e-01 -1.157310318e-01 4.76 -1.083165290e-01 -1.083165290e-01 4.78 -1.010919893e-01 -1.010919893e-01 4.80 -9.407402677e-02 -9.407402677e-02 4.82 -8.727965862e-02 -8.727965862e-02 4.84 -8.072545369e-02 -8.072545369e-02 4.86 -7.442681906e-02 -7.442681906e-02 4.88 -6.839745508e-02 -6.839745508e-02 4.90 -6.264899394e-02 -6.264899394e-02 4.92 -5.719080469e-02 -5.719080469e-02 4.94 -5.202992723e-02 -5.202992723e-02 4.96 -4.717108792e-02 -4.717108792e-02 4.98 -4.261675152e-02 -4.261675152e-02 5.00 -3.836717602e-02 -3.836717602e-02 5.02 -3.442045417e-02 -3.442045417e-02 5.04 -3.077254334e-02 -3.077254334e-02 5.06 -2.741729717e-02 -2.741729717e-02 5.08 -2.434652484e-02 -2.434652484e-02 5.10 -2.155009529e-02 -2.155009529e-02 5.12 -1.901610181e-02 -1.901610181e-02 5.14 -1.673095270e-02 -1.673095270e-02 5.16 -1.467968187e-02 -1.467968187e-02 5.18 -1.284689437e-02 -1.284689437e-02 5.20 -1.121652922e-02 -1.121652922e-02 5.22 -9.772207425e-03 -9.772207425e-03 5.24 -8.497587662e-03 -8.497587662e-03 5.26 -7.376676221e-03 -7.376676221e-03 5.28 -6.394082184e-03 -6.394082184e-03 5.30 -5.535214470e-03 -5.535214470e-03 5.32 -4.786421912e-03 -4.786421912e-03 5.34 -4.135081025e-03 -4.135081025e-03 5.36 -3.569638342e-03 -3.569638342e-03 5.38 -3.079615280e-03 -3.079615280e-03 5.40 -2.655583652e-03 -2.655583652e-03 5.42 -2.289119486e-03 -2.289119486e-03 5.44 -1.972741935e-03 -1.972741935e-03 5.46 -1.699842995e-03 -1.699842995e-03 5.48 -1.464612621e-03 -1.464612621e-03 5.50 -1.261962808e-03 -1.261962808e-03 5.52 -1.087453243e-03 -1.087453243e-03 5.54 -9.372203444e-04 -9.372203444e-04 5.56 -8.079108810e-04 -8.079108810e-04 5.58 -6.966208291e-04 -6.966208291e-04 5.60 -6.008397741e-04 -6.008397741e-04 5.62 -5.184008696e-04 -5.184008696e-04 5.64 -4.474361824e-04 -4.474361824e-04 5.66 -3.863371263e-04 -3.863371263e-04 5.68 -3.337196096e-04 -3.337196096e-04 5.70 -2.883934886e-04 -2.883934886e-04 5.72 -2.493359058e-04 -2.493359058e-04 5.74 -2.156680993e-04 -2.156680993e-04 5.76 -1.866352911e-04 -1.866352911e-04 5.78 -1.615892879e-04 -1.615892879e-04 5.80 -1.399734607e-04 -1.399734607e-04 5.82 -1.213097975e-04 -1.213097975e-04 5.84 -1.051877613e-04 -1.051877613e-04 5.86 -9.125471034e-05 -9.125471034e-05 5.88 -7.920767119e-05 -7.920767119e-05 5.90 -6.878627689e-05 -6.878627689e-05 5.92 -5.976670992e-05 -5.976670992e-05 5.94 -5.195650853e-05 -5.195650853e-05 5.96 -4.519011492e-05 -4.519011492e-05 5.98 -3.932505994e-05 -3.932505994e-05 6.00 -3.423869359e-05 -3.423869359e-05