# 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 = AgFe2Pb # 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 2.809573982e+02 2.809573982e+02 1.30 2.593901012e+02 2.593901012e+02 1.32 2.394883401e+02 2.394883401e+02 1.34 2.211164799e+02 2.211164799e+02 1.36 2.041508254e+02 2.041508254e+02 1.38 1.884775928e+02 1.884775928e+02 1.40 1.739922349e+02 1.739922349e+02 1.42 1.605994687e+02 1.605994687e+02 1.44 1.482130537e+02 1.482130537e+02 1.46 1.367549343e+02 1.367549343e+02 1.48 1.261540426e+02 1.261540426e+02 1.50 1.163451999e+02 1.163451999e+02 1.52 1.072682665e+02 1.072682665e+02 1.54 9.886741907e+01 9.886741907e+01 1.56 9.109052291e+01 9.109052291e+01 1.58 8.388876535e+01 8.388876535e+01 1.60 7.721659673e+01 7.721659673e+01 1.62 7.103190384e+01 7.103190384e+01 1.64 6.529614535e+01 6.529614535e+01 1.66 5.997547315e+01 5.997547315e+01 1.68 5.504811663e+01 5.504811663e+01 1.70 5.048844413e+01 5.048844413e+01 1.72 4.627100108e+01 4.627100108e+01 1.74 4.237235737e+01 4.237235737e+01 1.76 3.877037875e+01 3.877037875e+01 1.78 3.544378785e+01 3.544378785e+01 1.80 3.237209087e+01 3.237209087e+01 1.82 2.953578366e+01 2.953578366e+01 1.84 2.691661974e+01 2.691661974e+01 1.86 2.449778127e+01 2.449778127e+01 1.88 2.226390040e+01 2.226390040e+01 1.90 2.020094522e+01 2.020094522e+01 1.92 1.829603341e+01 1.829603341e+01 1.94 1.653723190e+01 1.653723190e+01 1.96 1.491336832e+01 1.491336832e+01 1.98 1.341390416e+01 1.341390416e+01 2.00 1.202888768e+01 1.202888768e+01 2.02 1.074899113e+01 1.074899113e+01 2.04 9.565598432e+00 9.565598432e+00 2.06 8.470891447e+00 8.470891447e+00 2.08 7.457886989e+00 7.457886989e+00 2.10 6.520405940e+00 6.520405940e+00 2.12 5.652983991e+00 5.652983991e+00 2.14 4.850747330e+00 4.850747330e+00 2.16 4.109288119e+00 4.109288119e+00 2.18 3.424560000e+00 3.424560000e+00 2.20 2.792801844e+00 2.792801844e+00 2.22 2.210491476e+00 2.210491476e+00 2.24 1.674319735e+00 1.674319735e+00 2.26 1.181177157e+00 1.181177157e+00 2.28 7.281430217e-01 7.281430217e-01 2.30 3.124802401e-01 3.124802401e-01 2.32 -6.838003011e-02 -6.838003011e-02 2.34 -4.168430678e-01 -4.168430678e-01 2.36 -7.351644063e-01 -7.351644063e-01 2.38 -1.025456714e+00 -1.025456714e+00 2.40 -1.289695418e+00 -1.289695418e+00 2.42 -1.529722828e+00 -1.529722828e+00 2.44 -1.747252356e+00 -1.747252356e+00 2.46 -1.943874767e+00 -1.943874767e+00 2.48 -2.121067508e+00 -2.121067508e+00 2.50 -2.280207084e+00 -2.280207084e+00 2.52 -2.422583161e+00 -2.422583161e+00 2.54 -2.549412194e+00 -2.549412194e+00 2.56 -2.661848265e+00 -2.661848265e+00 2.58 -2.760990756e+00 -2.760990756e+00 2.60 -2.847889960e+00 -2.847889960e+00 2.62 -2.923522193e+00 -2.923522193e+00 2.64 -2.988801269e+00 -2.988801269e+00 2.66 -3.044570706e+00 -3.044570706e+00 2.68 -3.091601148e+00 -3.091601148e+00 2.70 -3.130589233e+00 -3.130589233e+00 2.72 -3.162162430e+00 -3.162162430e+00 2.74 -3.186907841e+00 -3.186907841e+00 2.76 -3.205134268e+00 -3.205134268e+00 2.78 -3.216866192e+00 -3.216866192e+00 2.80 -3.222190628e+00 -3.222190628e+00 2.82 -3.221261472e+00 -3.221261472e+00 2.84 -3.214294574e+00 -3.214294574e+00 2.86 -3.201559096e+00 -3.201559096e+00 2.88 -3.183366991e+00 -3.183366991e+00 2.90 -3.160066828e+00 -3.160066828e+00 2.92 -3.132030192e+00 -3.132030192e+00 2.94 -3.099639747e+00 -3.099639747e+00 2.96 -3.063301224e+00 -3.063301224e+00 2.98 -3.023310106e+00 -3.023310106e+00 3.00 -2.979938310e+00 -2.979938310e+00 3.02 -2.933448385e+00 -2.933448385e+00 3.04 -2.884091221e+00 -2.884091221e+00 3.06 -2.832108635e+00 -2.832108635e+00 3.08 -2.777720816e+00 -2.777720816e+00 3.10 -2.721117063e+00 -2.721117063e+00 3.12 -2.662480566e+00 -2.662480566e+00 3.14 -2.601999111e+00 -2.601999111e+00 3.16 -2.539865160e+00 -2.539865160e+00 3.18 -2.476285310e+00 -2.476285310e+00 3.20 -2.411485408e+00 -2.411485408e+00 3.22 -2.345715346e+00 -2.345715346e+00 3.24 -2.279251432e+00 -2.279251432e+00 3.26 -2.212395444e+00 -2.212395444e+00 3.28 -2.145470010e+00 -2.145470010e+00 3.30 -2.078810407e+00 -2.078810407e+00 3.32 -2.012753462e+00 -2.012753462e+00 3.34 -1.947624670e+00 -1.947624670e+00 3.36 -1.883725003e+00 -1.883725003e+00 3.38 -1.821319002e+00 -1.821319002e+00 3.40 -1.760625273e+00 -1.760625273e+00 3.42 -1.701811978e+00 -1.701811978e+00 3.44 -1.644993409e+00 -1.644993409e+00 3.46 -1.590233253e+00 -1.590233253e+00 3.48 -1.537549263e+00 -1.537549263e+00 3.50 -1.486920293e+00 -1.486920293e+00 3.52 -1.438294347e+00 -1.438294347e+00 3.54 -1.391596797e+00 -1.391596797e+00 3.56 -1.346738106e+00 -1.346738106e+00 3.58 -1.303620631e+00 -1.303620631e+00 3.60 -1.262144308e+00 -1.262144308e+00 3.62 -1.222211128e+00 -1.222211128e+00 3.64 -1.183728458e+00 -1.183728458e+00 3.66 -1.146611266e+00 -1.146611266e+00 3.68 -1.110783349e+00 -1.110783349e+00 3.70 -1.076177675e+00 -1.076177675e+00 3.72 -1.042735939e+00 -1.042735939e+00 3.74 -1.010407513e+00 -1.010407513e+00 3.76 -9.791479557e-01 -9.791479557e-01 3.78 -9.489173257e-01 -9.489173257e-01 3.80 -9.196785277e-01 -9.196785277e-01 3.82 -8.913958970e-01 -8.913958970e-01 3.84 -8.640341667e-01 -8.640341667e-01 3.86 -8.375578732e-01 -8.375578732e-01 3.88 -8.119311709e-01 -8.119311709e-01 3.90 -7.871179671e-01 -7.871179671e-01 3.92 -7.630818626e-01 -7.630818626e-01 3.94 -7.397882218e-01 -7.397882218e-01 3.96 -7.172019784e-01 -7.172019784e-01 3.98 -6.952898154e-01 -6.952898154e-01 4.00 -6.740199332e-01 -6.740199332e-01 4.02 -6.533622180e-01 -6.533622180e-01 4.04 -6.332883404e-01 -6.332883404e-01 4.06 -6.137718098e-01 -6.137718098e-01 4.08 -5.947880110e-01 -5.947880110e-01 4.10 -5.763129891e-01 -5.763129891e-01 4.12 -5.583287625e-01 -5.583287625e-01 4.14 -5.408151505e-01 -5.408151505e-01 4.16 -5.237556879e-01 -5.237556879e-01 4.18 -5.071362185e-01 -5.071362185e-01 4.20 -4.909450163e-01 -4.909450163e-01 4.22 -4.751728697e-01 -4.751728697e-01 4.24 -4.598130921e-01 -4.598130921e-01 4.26 -4.448614230e-01 -4.448614230e-01 4.28 -4.303157906e-01 -4.303157906e-01 4.30 -4.161759129e-01 -4.161759129e-01 4.32 -4.024427530e-01 -4.024427530e-01 4.34 -3.891178474e-01 -3.891178474e-01 4.36 -3.762025643e-01 -3.762025643e-01 4.38 -3.636973580e-01 -3.636973580e-01 4.40 -3.516010961e-01 -3.516010961e-01 4.42 -3.399105346e-01 -3.399105346e-01 4.44 -3.286199831e-01 -3.286199831e-01 4.46 -3.177210635e-01 -3.177210635e-01 4.48 -3.072024366e-01 -3.072024366e-01 4.50 -2.970515321e-01 -2.970515321e-01 4.52 -2.872538862e-01 -2.872538862e-01 4.54 -2.777934404e-01 -2.777934404e-01 4.56 -2.686530615e-01 -2.686530615e-01 4.58 -2.598150257e-01 -2.598150257e-01 4.60 -2.512614405e-01 -2.512614405e-01 4.62 -2.429745940e-01 -2.429745940e-01 4.64 -2.349372323e-01 -2.349372323e-01 4.66 -2.271327738e-01 -2.271327738e-01 4.68 -2.195454737e-01 -2.195454737e-01 4.70 -2.121605524e-01 -2.121605524e-01 4.72 -2.049643033e-01 -2.049643033e-01 4.74 -1.979441894e-01 -1.979441894e-01 4.76 -1.910889402e-01 -1.910889402e-01 4.78 -1.843886501e-01 -1.843886501e-01 4.80 -1.778340856e-01 -1.778340856e-01 4.82 -1.714201007e-01 -1.714201007e-01 4.84 -1.651405491e-01 -1.651405491e-01 4.86 -1.589919719e-01 -1.589919719e-01 4.88 -1.529726873e-01 -1.529726873e-01 4.90 -1.470827785e-01 -1.470827785e-01 4.92 -1.413240169e-01 -1.413240169e-01 4.94 -1.356997072e-01 -1.356997072e-01 4.96 -1.302144520e-01 -1.302144520e-01 4.98 -1.248738373e-01 -1.248738373e-01 5.00 -1.196840543e-01 -1.196840543e-01 5.02 -1.146514789e-01 -1.146514789e-01 5.04 -1.097822399e-01 -1.097822399e-01 5.06 -1.050818105e-01 -1.050818105e-01 5.08 -1.005546554e-01 -1.005546554e-01 5.10 -9.620396195e-02 -9.620396195e-02 5.12 -9.203147291e-02 -9.203147291e-02 5.14 -8.803742548e-02 -8.803742548e-02 5.16 -8.422059128e-02 -8.422059128e-02 5.18 -8.057839948e-02 -8.057839948e-02 5.20 -7.710711959e-02 -7.710711959e-02 5.22 -7.380207694e-02 -7.380207694e-02 5.24 -7.065787541e-02 -7.065787541e-02 5.26 -6.766858807e-02 -6.766858807e-02 5.28 -6.482786886e-02 -6.482786886e-02 5.30 -6.212930973e-02 -6.212930973e-02 5.32 -5.956643286e-02 -5.956643286e-02 5.34 -5.713273198e-02 -5.713273198e-02 5.36 -5.482171293e-02 -5.482171293e-02 5.38 -5.262691572e-02 -5.262691572e-02 5.40 -5.054192684e-02 -5.054192684e-02 5.42 -4.856038890e-02 -4.856038890e-02 5.44 -4.667601243e-02 -4.667601243e-02 5.46 -4.488259250e-02 -4.488259250e-02 5.48 -4.317403059e-02 -4.317403059e-02 5.50 -4.154436059e-02 -4.154436059e-02 5.52 -3.998777714e-02 -3.998777714e-02 5.54 -3.849866381e-02 -3.849866381e-02 5.56 -3.707161936e-02 -3.707161936e-02 5.58 -3.570148023e-02 -3.570148023e-02 5.60 -3.438333864e-02 -3.438333864e-02 5.62 -3.311255597e-02 -3.311255597e-02 5.64 -3.188477109e-02 -3.188477109e-02 5.66 -3.069590537e-02 -3.069590537e-02 5.68 -2.954216487e-02 -2.954216487e-02 5.70 -2.842004084e-02 -2.842004084e-02 5.72 -2.732630950e-02 -2.732630950e-02 5.74 -2.625803237e-02 -2.625803237e-02 5.76 -2.521255773e-02 -2.521255773e-02 5.78 -2.418752408e-02 -2.418752408e-02 5.80 -2.318086564e-02 -2.318086564e-02 5.82 -2.219082016e-02 -2.219082016e-02 5.84 -2.121593841e-02 -2.121593841e-02 5.86 -2.025509499e-02 -2.025509499e-02 5.88 -1.930749916e-02 -1.930749916e-02 5.90 -1.837270446e-02 -1.837270446e-02 5.92 -1.745061548e-02 -1.745061548e-02 5.94 -1.654146899e-02 -1.654146899e-02 5.96 -1.564572854e-02 -1.564572854e-02 5.98 -1.476434299e-02 -1.476434299e-02 6.00 -1.389860657e-02 -1.389860657e-02