# 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 = AgFe2Ta # 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 2.660690986e+02 2.660690986e+02 1.30 2.444285087e+02 2.444285087e+02 1.32 2.245093686e+02 2.245093686e+02 1.34 2.061621782e+02 2.061621782e+02 1.36 1.892553690e+02 1.892553690e+02 1.38 1.736727916e+02 1.736727916e+02 1.40 1.593109623e+02 1.593109623e+02 1.42 1.460766413e+02 1.460766413e+02 1.44 1.338847742e+02 1.338847742e+02 1.46 1.226566752e+02 1.226566752e+02 1.48 1.123185167e+02 1.123185167e+02 1.50 1.028003507e+02 1.028003507e+02 1.52 9.403581604e+01 9.403581604e+01 1.54 8.596245256e+01 8.596245256e+01 1.56 7.852231674e+01 7.852231674e+01 1.58 7.166249014e+01 7.166249014e+01 1.60 6.533517627e+01 6.533517627e+01 1.62 5.949735672e+01 5.949735672e+01 1.64 5.411021152e+01 5.411021152e+01 1.66 4.913854535e+01 4.913854535e+01 1.68 4.455034328e+01 4.455034328e+01 1.70 4.031700806e+01 4.031700806e+01 1.72 3.641717756e+01 3.641717756e+01 1.74 3.282713537e+01 3.282713537e+01 1.76 2.952393365e+01 2.952393365e+01 1.78 2.648731181e+01 2.648731181e+01 1.80 2.369743418e+01 2.369743418e+01 1.82 2.113590921e+01 2.113590921e+01 1.84 1.878584163e+01 1.878584163e+01 1.86 1.663166802e+01 1.663166802e+01 1.88 1.465892918e+01 1.465892918e+01 1.90 1.285401626e+01 1.285401626e+01 1.92 1.120393542e+01 1.120393542e+01 1.94 9.696136152e+00 9.696136152e+00 1.96 8.318440863e+00 8.318440863e+00 1.98 7.059096379e+00 7.059096379e+00 2.00 5.906938973e+00 5.906938973e+00 2.02 4.851629511e+00 4.851629511e+00 2.04 3.883886034e+00 3.883886034e+00 2.06 2.995635717e+00 2.995635717e+00 2.08 2.180036056e+00 2.180036056e+00 2.10 1.431364412e+00 1.431364412e+00 2.12 7.448183728e-01 7.448183728e-01 2.14 1.162865053e-01 1.162865053e-01 2.16 -4.578605255e-01 -4.578605255e-01 2.18 -9.809317102e-01 -9.809317102e-01 2.20 -1.456026252e+00 -1.456026252e+00 2.22 -1.886103157e+00 -1.886103157e+00 2.24 -2.274024598e+00 -2.274024598e+00 2.26 -2.622585068e+00 -2.622585068e+00 2.28 -2.934532284e+00 -2.934532284e+00 2.30 -3.212579529e+00 -3.212579529e+00 2.32 -3.459260131e+00 -3.459260131e+00 2.34 -3.677302519e+00 -3.677302519e+00 2.36 -3.869540118e+00 -3.869540118e+00 2.38 -4.038629772e+00 -4.038629772e+00 2.40 -4.187002197e+00 -4.187002197e+00 2.42 -4.316784975e+00 -4.316784975e+00 2.44 -4.429389880e+00 -4.429389880e+00 2.46 -4.525887686e+00 -4.525887686e+00 2.48 -4.607373379e+00 -4.607373379e+00 2.50 -4.674938390e+00 -4.674938390e+00 2.52 -4.729649264e+00 -4.729649264e+00 2.54 -4.772535916e+00 -4.772535916e+00 2.56 -4.804585075e+00 -4.804585075e+00 2.58 -4.826735533e+00 -4.826735533e+00 2.60 -4.839873028e+00 -4.839873028e+00 2.62 -4.844823752e+00 -4.844823752e+00 2.64 -4.842346758e+00 -4.842346758e+00 2.66 -4.833126768e+00 -4.833126768e+00 2.68 -4.817769625e+00 -4.817769625e+00 2.70 -4.796802227e+00 -4.796802227e+00 2.72 -4.770677499e+00 -4.770677499e+00 2.74 -4.739783905e+00 -4.739783905e+00 2.76 -4.704463537e+00 -4.704463537e+00 2.78 -4.665003494e+00 -4.665003494e+00 2.80 -4.621657945e+00 -4.621657945e+00 2.82 -4.574662307e+00 -4.574662307e+00 2.84 -4.524238930e+00 -4.524238930e+00 2.86 -4.470633317e+00 -4.470633317e+00 2.88 -4.414144935e+00 -4.414144935e+00 2.90 -4.354841164e+00 -4.354841164e+00 2.92 -4.292646085e+00 -4.292646085e+00 2.94 -4.227363094e+00 -4.227363094e+00 2.96 -4.158869488e+00 -4.158869488e+00 2.98 -4.087113583e+00 -4.087113583e+00 3.00 -4.012100246e+00 -4.012100246e+00 3.02 -3.933889065e+00 -3.933889065e+00 3.04 -3.852572513e+00 -3.852572513e+00 3.06 -3.768260615e+00 -3.768260615e+00 3.08 -3.681075855e+00 -3.681075855e+00 3.10 -3.591151487e+00 -3.591151487e+00 3.12 -3.498633440e+00 -3.498633440e+00 3.14 -3.403685905e+00 -3.403685905e+00 3.16 -3.306500253e+00 -3.306500253e+00 3.18 -3.207306327e+00 -3.207306327e+00 3.20 -3.106384405e+00 -3.106384405e+00 3.22 -3.004075574e+00 -3.004075574e+00 3.24 -2.900787984e+00 -2.900787984e+00 3.26 -2.796996688e+00 -2.796996688e+00 3.28 -2.693235477e+00 -2.693235477e+00 3.30 -2.590080259e+00 -2.590080259e+00 3.32 -2.488124967e+00 -2.488124967e+00 3.34 -2.387952291e+00 -2.387952291e+00 3.36 -2.290102650e+00 -2.290102650e+00 3.38 -2.195045178e+00 -2.195045178e+00 3.40 -2.103154268e+00 -2.103154268e+00 3.42 -2.014694198e+00 -2.014694198e+00 3.44 -1.929813050e+00 -1.929813050e+00 3.46 -1.848545697e+00 -1.848545697e+00 3.48 -1.770824435e+00 -1.770824435e+00 3.50 -1.696495163e+00 -1.696495163e+00 3.52 -1.625336749e+00 -1.625336749e+00 3.54 -1.557081456e+00 -1.557081456e+00 3.56 -1.491434726e+00 -1.491434726e+00 3.58 -1.428093217e+00 -1.428093217e+00 3.60 -1.366760465e+00 -1.366760465e+00 3.62 -1.307159994e+00 -1.307159994e+00 3.64 -1.249045913e+00 -1.249045913e+00 3.66 -1.192211178e+00 -1.192211178e+00 3.68 -1.136493682e+00 -1.136493682e+00 3.70 -1.081780276e+00 -1.081780276e+00 3.72 -1.028008725e+00 -1.028008725e+00 3.74 -9.751675178e-01 -9.751675178e-01 3.76 -9.232934505e-01 -9.232934505e-01 3.78 -8.724669016e-01 -8.724669016e-01 3.80 -8.228048863e-01 -8.228048863e-01 3.82 -7.744521286e-01 -7.744521286e-01 3.84 -7.275706336e-01 -7.275706336e-01 3.86 -6.823283372e-01 -6.823283372e-01 3.88 -6.388877480e-01 -6.388877480e-01 3.90 -5.973962467e-01 -5.973962467e-01 3.92 -5.579766277e-01 -5.579766277e-01 3.94 -5.207205616e-01 -5.207205616e-01 3.96 -4.856846743e-01 -4.856846743e-01 3.98 -4.528892247e-01 -4.528892247e-01 4.00 -4.223191714e-01 -4.223191714e-01 4.02 -3.939272161e-01 -3.939272161e-01 4.04 -3.676382916e-01 -3.676382916e-01 4.06 -3.433549233e-01 -3.433549233e-01 4.08 -3.209629371e-01 -3.209629371e-01 4.10 -3.003370699e-01 -3.003370699e-01 4.12 -2.813461640e-01 -2.813461640e-01 4.14 -2.638577112e-01 -2.638577112e-01 4.16 -2.477416633e-01 -2.477416633e-01 4.18 -2.328734520e-01 -2.328734520e-01 4.20 -2.191362487e-01 -2.191362487e-01 4.22 -2.064225121e-01 -2.064225121e-01 4.24 -1.946348916e-01 -1.946348916e-01 4.26 -1.836865579e-01 -1.836865579e-01 4.28 -1.735010331e-01 -1.735010331e-01 4.30 -1.640115957e-01 -1.640115957e-01 4.32 -1.551603521e-01 -1.551603521e-01 4.34 -1.468970635e-01 -1.468970635e-01 4.36 -1.391778340e-01 -1.391778340e-01 4.38 -1.319637771e-01 -1.319637771e-01 4.40 -1.252197507e-01 -1.252197507e-01 4.42 -1.189132627e-01 -1.189132627e-01 4.44 -1.130136046e-01 -1.130136046e-01 4.46 -1.074911978e-01 -1.074911978e-01 4.48 -1.023171199e-01 -1.023171199e-01 4.50 -9.746343423e-02 -9.746343423e-02 4.52 -9.290286015e-02 -9.290286015e-02 4.54 -8.860884835e-02 -8.860884835e-02 4.56 -8.455577241e-02 -8.455577241e-02 4.58 -8.071912681e-02 -8.071912681e-02 4.60 -7.707570271e-02 -7.707570271e-02 4.62 -7.360372663e-02 -7.360372663e-02 4.64 -7.028295807e-02 -7.028295807e-02 4.66 -6.709475061e-02 -6.709475061e-02 4.68 -6.402208568e-02 -6.402208568e-02 4.70 -6.104959000e-02 -6.104959000e-02 4.72 -5.816354768e-02 -5.816354768e-02 4.74 -5.535191621e-02 -5.535191621e-02 4.76 -5.260435234e-02 -5.260435234e-02 4.78 -4.991225081e-02 -4.991225081e-02 4.80 -4.726879364e-02 -4.726879364e-02 4.82 -4.466900854e-02 -4.466900854e-02 4.84 -4.210981654e-02 -4.210981654e-02 4.86 -3.959006935e-02 -3.959006935e-02 4.88 -3.711054970e-02 -3.711054970e-02 4.90 -3.467392233e-02 -3.467392233e-02 4.92 -3.228461909e-02 -3.228461909e-02 4.94 -2.994864600e-02 -2.994864600e-02 4.96 -2.767330499e-02 -2.767330499e-02 4.98 -2.546683889e-02 -2.546683889e-02 5.00 -2.333800909e-02 -2.333800909e-02 5.02 -2.129563037e-02 -2.129563037e-02 5.04 -1.934809459e-02 -1.934809459e-02 5.06 -1.750291864e-02 -1.750291864e-02 5.08 -1.576618907e-02 -1.576618907e-02 5.10 -1.414221466e-02 -1.414221466e-02 5.12 -1.263416053e-02 -1.263416053e-02 5.14 -1.124330866e-02 -1.124330866e-02 5.16 -9.969053591e-03 -9.969053591e-03 5.18 -8.809047425e-03 -8.809047425e-03 5.20 -7.759420918e-03 -7.759420918e-03 5.22 -6.815053831e-03 -6.815053831e-03 5.24 -5.969867820e-03 -5.969867820e-03 5.26 -5.217118508e-03 -5.217118508e-03 5.28 -4.549668386e-03 -4.549668386e-03 5.30 -3.960227890e-03 -3.960227890e-03 5.32 -3.441557496e-03 -3.441557496e-03 5.34 -2.986628365e-03 -2.986628365e-03 5.36 -2.588742669e-03 -2.588742669e-03 5.38 -2.241617166e-03 -2.241617166e-03 5.40 -1.939435021e-03 -1.939435021e-03 5.42 -1.676871440e-03 -1.676871440e-03 5.44 -1.449098662e-03 -1.449098662e-03 5.46 -1.251775434e-03 -1.251775434e-03 5.48 -1.081025420e-03 -1.081025420e-03 5.50 -9.334082963e-04 -9.334082963e-04 5.52 -8.058865095e-04 -8.058865095e-04 5.54 -6.957900169e-04 -6.957900169e-04 5.56 -6.007807235e-04 -6.007807235e-04 5.58 -5.188178374e-04 -5.188178374e-04 5.60 -4.481249663e-04 -4.481249663e-04 5.62 -3.871594641e-04 -3.871594641e-04 5.64 -3.345843001e-04 -3.345843001e-04 5.66 -2.892425544e-04 -2.892425544e-04 5.68 -2.501345166e-04 -2.501345166e-04 5.70 -2.163972875e-04 -2.163972875e-04 5.72 -1.872867281e-04 -1.872867281e-04 5.74 -1.621615743e-04 -1.621615743e-04 5.76 -1.404695202e-04 -1.404695202e-04 5.78 -1.217350730e-04 -1.217350730e-04 5.80 -1.055489872e-04 -1.055489872e-04 5.82 -9.155909755e-05 -9.155909755e-05 5.84 -7.946238302e-05 -7.946238302e-05 5.86 -6.899810891e-05 -6.899810891e-05 5.88 -5.994190991e-05 -5.994190991e-05 5.90 -5.210069114e-05 -5.210069114e-05 5.92 -4.530823860e-05 -4.530823860e-05 5.94 -3.942144330e-05 -3.942144330e-05 5.96 -3.431705532e-05 -3.431705532e-05 5.98 -2.988889478e-05 -2.988889478e-05 6.00 -2.604545626e-05 -2.604545626e-05