# 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 = Pb2PtTa # 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 5.002624676e+02 5.002624676e+02 1.30 4.685981279e+02 4.685981279e+02 1.32 4.390378617e+02 4.390378617e+02 1.34 4.114214802e+02 4.114214802e+02 1.36 3.855982836e+02 3.855982836e+02 1.38 3.614260342e+02 3.614260342e+02 1.40 3.387729340e+02 3.387729340e+02 1.42 3.175213193e+02 3.175213193e+02 1.44 2.975704044e+02 2.975704044e+02 1.46 2.788362802e+02 2.788362802e+02 1.48 2.612491775e+02 2.612491775e+02 1.50 2.447487353e+02 2.447487353e+02 1.52 2.292781559e+02 2.292781559e+02 1.54 2.147791522e+02 2.147791522e+02 1.56 2.011898615e+02 2.011898615e+02 1.58 1.884460832e+02 1.884460832e+02 1.60 1.764843051e+02 1.764843051e+02 1.62 1.652445475e+02 1.652445475e+02 1.64 1.546719386e+02 1.546719386e+02 1.66 1.447170540e+02 1.447170540e+02 1.68 1.353357488e+02 1.353357488e+02 1.70 1.264889323e+02 1.264889323e+02 1.72 1.181421896e+02 1.181421896e+02 1.74 1.102648145e+02 1.102648145e+02 1.76 1.028284006e+02 1.028284006e+02 1.78 9.580563341e+01 9.580563341e+01 1.80 8.917032590e+01 8.917032590e+01 1.82 8.290028177e+01 8.290028177e+01 1.84 7.697272653e+01 7.697272653e+01 1.86 7.140438212e+01 7.140438212e+01 1.88 6.619837566e+01 6.619837566e+01 1.90 6.133532459e+01 6.133532459e+01 1.92 5.679349779e+01 5.679349779e+01 1.94 5.255357314e+01 5.255357314e+01 1.96 4.859801861e+01 4.859801861e+01 1.98 4.491050677e+01 4.491050677e+01 2.00 4.147546468e+01 4.147546468e+01 2.02 3.827778960e+01 3.827778960e+01 2.04 3.530270410e+01 3.530270410e+01 2.06 3.253572263e+01 3.253572263e+01 2.08 2.996271152e+01 2.996271152e+01 2.10 2.757001113e+01 2.757001113e+01 2.12 2.534458556e+01 2.534458556e+01 2.14 2.327415854e+01 2.327415854e+01 2.16 2.134730444e+01 2.134730444e+01 2.18 1.955349350e+01 1.955349350e+01 2.20 1.788308572e+01 1.788308572e+01 2.22 1.632729259e+01 1.632729259e+01 2.24 1.487810692e+01 1.487810692e+01 2.26 1.352821488e+01 1.352821488e+01 2.28 1.227090408e+01 1.227090408e+01 2.30 1.109996591e+01 1.109996591e+01 2.32 1.000961566e+01 1.000961566e+01 2.34 8.994425939e+00 8.994425939e+00 2.36 8.049279081e+00 8.049279081e+00 2.38 7.169340092e+00 7.169340092e+00 2.40 6.350047566e+00 6.350047566e+00 2.42 5.587121081e+00 5.587121081e+00 2.44 4.876577580e+00 4.876577580e+00 2.46 4.214754161e+00 4.214754161e+00 2.48 3.598323525e+00 3.598323525e+00 2.50 3.024294531e+00 3.024294531e+00 2.52 2.490074787e+00 2.490074787e+00 2.54 1.993219043e+00 1.993219043e+00 2.56 1.531432799e+00 1.531432799e+00 2.58 1.102607911e+00 1.102607911e+00 2.60 7.047752845e-01 7.047752845e-01 2.62 3.360766893e-01 3.360766893e-01 2.64 -5.726719790e-03 -5.726719790e-03 2.66 -3.231026861e-01 -3.231026861e-01 2.68 -6.173321735e-01 -6.173321735e-01 2.70 -8.895164438e-01 -8.895164438e-01 2.72 -1.140664434e+00 -1.140664434e+00 2.74 -1.371762372e+00 -1.371762372e+00 2.76 -1.583765403e+00 -1.583765403e+00 2.78 -1.777591352e+00 -1.777591352e+00 2.80 -1.954117804e+00 -1.954117804e+00 2.82 -2.114182191e+00 -2.114182191e+00 2.84 -2.258585188e+00 -2.258585188e+00 2.86 -2.388097184e+00 -2.388097184e+00 2.88 -2.503467398e+00 -2.503467398e+00 2.90 -2.605434540e+00 -2.605434540e+00 2.92 -2.694737111e+00 -2.694737111e+00 2.94 -2.772120829e+00 -2.772120829e+00 2.96 -2.838340514e+00 -2.838340514e+00 2.98 -2.894154651e+00 -2.894154651e+00 3.00 -2.940312715e+00 -2.940312715e+00 3.02 -2.977537713e+00 -2.977537713e+00 3.04 -3.006507976e+00 -3.006507976e+00 3.06 -3.027844662e+00 -3.027844662e+00 3.08 -3.042103876e+00 -3.042103876e+00 3.10 -3.049780583e+00 -3.049780583e+00 3.12 -3.051316620e+00 -3.051316620e+00 3.14 -3.047121334e+00 -3.047121334e+00 3.16 -3.037576613e+00 -3.037576613e+00 3.18 -3.023057628e+00 -3.023057628e+00 3.20 -3.003940886e+00 -3.003940886e+00 3.22 -2.980610161e+00 -2.980610161e+00 3.24 -2.953458635e+00 -2.953458635e+00 3.26 -2.922888012e+00 -2.922888012e+00 3.28 -2.889305391e+00 -2.889305391e+00 3.30 -2.853118414e+00 -2.853118414e+00 3.32 -2.814728930e+00 -2.814728930e+00 3.34 -2.774525384e+00 -2.774525384e+00 3.36 -2.732875058e+00 -2.732875058e+00 3.38 -2.690185962e+00 -2.690185962e+00 3.40 -2.646925563e+00 -2.646925563e+00 3.42 -2.603466609e+00 -2.603466609e+00 3.44 -2.560077038e+00 -2.560077038e+00 3.46 -2.516932435e+00 -2.516932435e+00 3.48 -2.474129808e+00 -2.474129808e+00 3.50 -2.431703106e+00 -2.431703106e+00 3.52 -2.389695428e+00 -2.389695428e+00 3.54 -2.348043462e+00 -2.348043462e+00 3.56 -2.306608145e+00 -2.306608145e+00 3.58 -2.265245409e+00 -2.265245409e+00 3.60 -2.223813342e+00 -2.223813342e+00 3.62 -2.182178162e+00 -2.182178162e+00 3.64 -2.140219336e+00 -2.140219336e+00 3.66 -2.097833809e+00 -2.097833809e+00 3.68 -2.054927239e+00 -2.054927239e+00 3.70 -2.011405415e+00 -2.011405415e+00 3.72 -1.967203979e+00 -1.967203979e+00 3.74 -1.922294164e+00 -1.922294164e+00 3.76 -1.876684395e+00 -1.876684395e+00 3.78 -1.830420481e+00 -1.830420481e+00 3.80 -1.783584089e+00 -1.783584089e+00 3.82 -1.736289361e+00 -1.736289361e+00 3.84 -1.688677698e+00 -1.688677698e+00 3.86 -1.640910983e+00 -1.640910983e+00 3.88 -1.593163699e+00 -1.593163699e+00 3.90 -1.545614535e+00 -1.545614535e+00 3.92 -1.498437585e+00 -1.498437585e+00 3.94 -1.451797494e+00 -1.451797494e+00 3.96 -1.405839644e+00 -1.405839644e+00 3.98 -1.360688804e+00 -1.360688804e+00 4.00 -1.316446374e+00 -1.316446374e+00 4.02 -1.273190334e+00 -1.273190334e+00 4.04 -1.230976969e+00 -1.230976969e+00 4.06 -1.189843964e+00 -1.189843964e+00 4.08 -1.149814403e+00 -1.149814403e+00 4.10 -1.110899169e+00 -1.110899169e+00 4.12 -1.073109273e+00 -1.073109273e+00 4.14 -1.036446543e+00 -1.036446543e+00 4.16 -1.000915152e+00 -1.000915152e+00 4.18 -9.665204701e-01 -9.665204701e-01 4.20 -9.332690121e-01 -9.332690121e-01 4.22 -9.011672250e-01 -9.011672250e-01 4.24 -8.702194374e-01 -8.702194374e-01 4.26 -8.404254040e-01 -8.404254040e-01 4.28 -8.117779201e-01 -8.117779201e-01 4.30 -7.842609253e-01 -7.842609253e-01 4.32 -7.578483860e-01 -7.578483860e-01 4.34 -7.325040800e-01 -7.325040800e-01 4.36 -7.081822396e-01 -7.081822396e-01 4.38 -6.848288802e-01 -6.848288802e-01 4.40 -6.623835745e-01 -6.623835745e-01 4.42 -6.407814158e-01 -6.407814158e-01 4.44 -6.199549550e-01 -6.199549550e-01 4.46 -5.998359517e-01 -5.998359517e-01 4.48 -5.803568522e-01 -5.803568522e-01 4.50 -5.614519694e-01 -5.614519694e-01 4.52 -5.430583856e-01 -5.430583856e-01 4.54 -5.251166334e-01 -5.251166334e-01 4.56 -5.075712236e-01 -5.075712236e-01 4.58 -4.903710930e-01 -4.903710930e-01 4.60 -4.734700357e-01 -4.734700357e-01 4.62 -4.568271707e-01 -4.568271707e-01 4.64 -4.404074751e-01 -4.404074751e-01 4.66 -4.241823925e-01 -4.241823925e-01 4.68 -4.081304985e-01 -4.081304985e-01 4.70 -3.922381761e-01 -3.922381761e-01 4.72 -3.765002321e-01 -3.765002321e-01 4.74 -3.609203583e-01 -3.609203583e-01 4.76 -3.455113317e-01 -3.455113317e-01 4.78 -3.302948463e-01 -3.302948463e-01 4.80 -3.152994171e-01 -3.152994171e-01 4.82 -3.005653484e-01 -3.005653484e-01 4.84 -2.861335442e-01 -2.861335442e-01 4.86 -2.720500571e-01 -2.720500571e-01 4.88 -2.583619374e-01 -2.583619374e-01 4.90 -2.451146954e-01 -2.451146954e-01 4.92 -2.323498515e-01 -2.323498515e-01 4.94 -2.201027857e-01 -2.201027857e-01 4.96 -2.084010708e-01 -2.084010708e-01 4.98 -1.972634073e-01 -1.972634073e-01 5.00 -1.866992090e-01 -1.866992090e-01 5.02 -1.767088125e-01 -1.767088125e-01 5.04 -1.672842206e-01 -1.672842206e-01 5.06 -1.584102504e-01 -1.584102504e-01 5.08 -1.500659369e-01 -1.500659369e-01 5.10 -1.422260462e-01 -1.422260462e-01 5.12 -1.348625719e-01 -1.348625719e-01 5.14 -1.279461118e-01 -1.279461118e-01 5.16 -1.214470530e-01 -1.214470530e-01 5.18 -1.153365412e-01 -1.153365412e-01 5.20 -1.095872002e-01 -1.095872002e-01 5.22 -1.041736163e-01 -1.041736163e-01 5.24 -9.907259473e-02 -9.907259473e-02 5.26 -9.426322871e-02 -9.426322871e-02 5.28 -8.972681532e-02 -8.972681532e-02 5.30 -8.544665467e-02 -8.544665467e-02 5.32 -8.140777234e-02 -8.140777234e-02 5.34 -7.759628640e-02 -7.759628640e-02 5.36 -7.399902026e-02 -7.399902026e-02 5.38 -7.060482816e-02 -7.060482816e-02 5.40 -6.740297868e-02 -6.740297868e-02 5.42 -6.438291386e-02 -6.438291386e-02 5.44 -6.153416160e-02 -6.153416160e-02 5.46 -5.884629566e-02 -5.884629566e-02 5.48 -5.630893810e-02 -5.630893810e-02 5.50 -5.391179521e-02 -5.391179521e-02 5.52 -5.164471595e-02 -5.164471595e-02 5.54 -4.949776251e-02 -4.949776251e-02 5.56 -4.746128354e-02 -4.746128354e-02 5.58 -4.552598290e-02 -4.552598290e-02 5.60 -4.368297910e-02 -4.368297910e-02 5.62 -4.192385274e-02 -4.192385274e-02 5.64 -4.024068122e-02 -4.024068122e-02 5.66 -3.862606152e-02 -3.862606152e-02 5.68 -3.707312250e-02 -3.707312250e-02 5.70 -3.557552908e-02 -3.557552908e-02 5.72 -3.412748066e-02 -3.412748066e-02 5.74 -3.272370608e-02 -3.272370608e-02 5.76 -3.135945719e-02 -3.135945719e-02 5.78 -3.003050277e-02 -3.003050277e-02 5.80 -2.873312292e-02 -2.873312292e-02 5.82 -2.746410654e-02 -2.746410654e-02 5.84 -2.622075050e-02 -2.622075050e-02 5.86 -2.500086032e-02 -2.500086032e-02 5.88 -2.380275139e-02 -2.380275139e-02 5.90 -2.262524924e-02 -2.262524924e-02 5.92 -2.146768699e-02 -2.146768699e-02 5.94 -2.032989743e-02 -2.032989743e-02 5.96 -1.921219748e-02 -1.921219748e-02 5.98 -1.811536739e-02 -1.811536739e-02 6.00 -1.704061304e-02 -1.704061304e-02