# 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 = Pb2TaW # 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 5.370714405e+02 5.370714405e+02 1.30 5.016259788e+02 5.016259788e+02 1.32 4.686664768e+02 4.686664768e+02 1.34 4.380017186e+02 4.380017186e+02 1.36 4.094558086e+02 4.094558086e+02 1.38 3.828674379e+02 3.828674379e+02 1.40 3.580889191e+02 3.580889191e+02 1.42 3.349842956e+02 3.349842956e+02 1.44 3.134272479e+02 3.134272479e+02 1.46 2.932998914e+02 2.932998914e+02 1.48 2.744928957e+02 2.744928957e+02 1.50 2.569064052e+02 2.569064052e+02 1.52 2.404506868e+02 2.404506868e+02 1.54 2.250457076e+02 2.250457076e+02 1.56 2.106195090e+02 2.106195090e+02 1.58 1.971061647e+02 1.971061647e+02 1.60 1.844441329e+02 1.844441329e+02 1.62 1.725754326e+02 1.725754326e+02 1.64 1.614454247e+02 1.614454247e+02 1.66 1.510029291e+02 1.510029291e+02 1.68 1.412003933e+02 1.412003933e+02 1.70 1.319939986e+02 1.319939986e+02 1.72 1.233437214e+02 1.233437214e+02 1.74 1.152133465e+02 1.152133465e+02 1.76 1.075703964e+02 1.075703964e+02 1.78 1.003858606e+02 1.003858606e+02 1.80 9.363364814e+01 9.363364814e+01 1.82 8.728983378e+01 8.728983378e+01 1.84 8.133184623e+01 8.133184623e+01 1.86 7.573877633e+01 7.573877633e+01 1.88 7.049306507e+01 7.049306507e+01 1.90 6.557356036e+01 6.557356036e+01 1.92 6.095933815e+01 6.095933815e+01 1.94 5.663805772e+01 5.663805772e+01 1.96 5.259802581e+01 5.259802581e+01 1.98 4.882137489e+01 4.882137489e+01 2.00 4.529185261e+01 4.529185261e+01 2.02 4.199444288e+01 4.199444288e+01 2.04 3.891492432e+01 3.891492432e+01 2.06 3.603952034e+01 3.603952034e+01 2.08 3.335473771e+01 3.335473771e+01 2.10 3.084738619e+01 3.084738619e+01 2.12 2.850474197e+01 2.850474197e+01 2.14 2.631474682e+01 2.631474682e+01 2.16 2.426618456e+01 2.426618456e+01 2.18 2.234878966e+01 2.234878966e+01 2.20 2.055326735e+01 2.055326735e+01 2.22 1.887124906e+01 1.887124906e+01 2.24 1.729519628e+01 1.729519628e+01 2.26 1.581828097e+01 1.581828097e+01 2.28 1.443426669e+01 1.443426669e+01 2.30 1.313739313e+01 1.313739313e+01 2.32 1.192228328e+01 1.192228328e+01 2.34 1.078388489e+01 1.078388489e+01 2.36 9.717422082e+00 9.717422082e+00 2.38 8.718377181e+00 8.718377181e+00 2.40 7.782486927e+00 7.782486927e+00 2.42 6.905750498e+00 6.905750498e+00 2.44 6.084439444e+00 6.084439444e+00 2.46 5.315108790e+00 5.315108790e+00 2.48 4.594599519e+00 4.594599519e+00 2.50 3.920030842e+00 3.920030842e+00 2.52 3.288814971e+00 3.288814971e+00 2.54 2.698603173e+00 2.698603173e+00 2.56 2.147192756e+00 2.147192756e+00 2.58 1.632568926e+00 1.632568926e+00 2.60 1.152717404e+00 1.152717404e+00 2.62 7.057683516e-01 7.057683516e-01 2.64 2.899716342e-01 2.899716342e-01 2.66 -9.631792189e-02 -9.631792189e-02 2.68 -4.546639758e-01 -4.546639758e-01 2.70 -7.865235395e-01 -7.865235395e-01 2.72 -1.093100548e+00 -1.093100548e+00 2.74 -1.375346273e+00 -1.375346273e+00 2.76 -1.634169954e+00 -1.634169954e+00 2.78 -1.870501275e+00 -1.870501275e+00 2.80 -2.085278012e+00 -2.085278012e+00 2.82 -2.279438067e+00 -2.279438067e+00 2.84 -2.453915074e+00 -2.453915074e+00 2.86 -2.609638434e+00 -2.609638434e+00 2.88 -2.747536554e+00 -2.747536554e+00 2.90 -2.868542094e+00 -2.868542094e+00 2.92 -2.973597448e+00 -2.973597448e+00 2.94 -3.063658589e+00 -3.063658589e+00 2.96 -3.139695484e+00 -3.139695484e+00 2.98 -3.202687898e+00 -3.202687898e+00 3.00 -3.253616202e+00 -3.253616202e+00 3.02 -3.293447919e+00 -3.293447919e+00 3.04 -3.323121481e+00 -3.323121481e+00 3.06 -3.343531063e+00 -3.343531063e+00 3.08 -3.355511420e+00 -3.355511420e+00 3.10 -3.359829895e+00 -3.359829895e+00 3.12 -3.357181160e+00 -3.357181160e+00 3.14 -3.348196750e+00 -3.348196750e+00 3.16 -3.333440437e+00 -3.333440437e+00 3.18 -3.313425504e+00 -3.313425504e+00 3.20 -3.288622210e+00 -3.288622210e+00 3.22 -3.259466305e+00 -3.259466305e+00 3.24 -3.226365715e+00 -3.226365715e+00 3.26 -3.189705270e+00 -3.189705270e+00 3.28 -3.149849781e+00 -3.149849781e+00 3.30 -3.107145709e+00 -3.107145709e+00 3.32 -3.061921616e+00 -3.061921616e+00 3.34 -3.014487510e+00 -3.014487510e+00 3.36 -2.965133344e+00 -2.965133344e+00 3.38 -2.914127135e+00 -2.914127135e+00 3.40 -2.861713128e+00 -2.861713128e+00 3.42 -2.808111667e+00 -2.808111667e+00 3.44 -2.753531088e+00 -2.753531088e+00 3.46 -2.698254456e+00 -2.698254456e+00 3.48 -2.642297710e+00 -2.642297710e+00 3.50 -2.585629851e+00 -2.585629851e+00 3.52 -2.528248576e+00 -2.528248576e+00 3.54 -2.470177564e+00 -2.470177564e+00 3.56 -2.411452009e+00 -2.411452009e+00 3.58 -2.352060928e+00 -2.352060928e+00 3.60 -2.291995918e+00 -2.291995918e+00 3.62 -2.231277732e+00 -2.231277732e+00 3.64 -2.169950206e+00 -2.169950206e+00 3.66 -2.108076420e+00 -2.108076420e+00 3.68 -2.045737133e+00 -2.045737133e+00 3.70 -1.983031144e+00 -1.983031144e+00 3.72 -1.920076866e+00 -1.920076866e+00 3.74 -1.857014169e+00 -1.857014169e+00 3.76 -1.794005594e+00 -1.794005594e+00 3.78 -1.731236119e+00 -1.731236119e+00 3.80 -1.668910980e+00 -1.668910980e+00 3.82 -1.607251366e+00 -1.607251366e+00 3.84 -1.546488141e+00 -1.546488141e+00 3.86 -1.486854063e+00 -1.486854063e+00 3.88 -1.428575165e+00 -1.428575165e+00 3.90 -1.371862112e+00 -1.371862112e+00 3.92 -1.316901503e+00 -1.316901503e+00 3.94 -1.263852737e+00 -1.263852737e+00 3.96 -1.212838288e+00 -1.212838288e+00 3.98 -1.163945015e+00 -1.163945015e+00 4.00 -1.117223047e+00 -1.117223047e+00 4.02 -1.072687578e+00 -1.072687578e+00 4.04 -1.030322213e+00 -1.030322213e+00 4.06 -9.900833925e-01 -9.900833925e-01 4.08 -9.519054048e-01 -9.519054048e-01 4.10 -9.157027436e-01 -9.157027436e-01 4.12 -8.813867380e-01 -8.813867380e-01 4.14 -8.488516372e-01 -8.488516372e-01 4.16 -8.179913808e-01 -8.179913808e-01 4.18 -7.886993470e-01 -7.886993470e-01 4.20 -7.608708363e-01 -7.608708363e-01 4.22 -7.344049172e-01 -7.344049172e-01 4.24 -7.092057116e-01 -7.092057116e-01 4.26 -6.851832072e-01 -6.851832072e-01 4.28 -6.622536898e-01 -6.622536898e-01 4.30 -6.403398795e-01 -6.403398795e-01 4.32 -6.193708488e-01 -6.193708488e-01 4.34 -5.992817841e-01 -5.992817841e-01 4.36 -5.800136460e-01 -5.800136460e-01 4.38 -5.615127666e-01 -5.615127666e-01 4.40 -5.437304173e-01 -5.437304173e-01 4.42 -5.266223698e-01 -5.266223698e-01 4.44 -5.101484645e-01 -5.101484645e-01 4.46 -4.942722005e-01 -4.942722005e-01 4.48 -4.789603504e-01 -4.789603504e-01 4.50 -4.641826058e-01 -4.641826058e-01 4.52 -4.499112535e-01 -4.499112535e-01 4.54 -4.361208834e-01 -4.361208834e-01 4.56 -4.227881252e-01 -4.227881252e-01 4.58 -4.098914141e-01 -4.098914141e-01 4.60 -3.974107812e-01 -3.974107812e-01 4.62 -3.853276685e-01 -3.853276685e-01 4.64 -3.736247642e-01 -3.736247642e-01 4.66 -3.622858575e-01 -3.622858575e-01 4.68 -3.512957108e-01 -3.512957108e-01 4.70 -3.406399462e-01 -3.406399462e-01 4.72 -3.303049473e-01 -3.303049473e-01 4.74 -3.202777717e-01 -3.202777717e-01 4.76 -3.105460763e-01 -3.105460763e-01 4.78 -3.010980520e-01 -3.010980520e-01 4.80 -2.919208126e-01 -2.919208126e-01 4.82 -2.830068215e-01 -2.830068215e-01 4.84 -2.743437331e-01 -2.743437331e-01 4.86 -2.659214226e-01 -2.659214226e-01 4.88 -2.577301139e-01 -2.577301139e-01 4.90 -2.497603703e-01 -2.497603703e-01 4.92 -2.420030966e-01 -2.420030966e-01 4.94 -2.344495499e-01 -2.344495499e-01 4.96 -2.270913619e-01 -2.270913619e-01 4.98 -2.199205715e-01 -2.199205715e-01 5.00 -2.129296686e-01 -2.129296686e-01 5.02 -2.061116469e-01 -2.061116469e-01 5.04 -1.994600661e-01 -1.994600661e-01 5.06 -1.929691206e-01 -1.929691206e-01 5.08 -1.866337083e-01 -1.866337083e-01 5.10 -1.804494982e-01 -1.804494982e-01 5.12 -1.744129900e-01 -1.744129900e-01 5.14 -1.685215563e-01 -1.685215563e-01 5.16 -1.627734625e-01 -1.627734625e-01 5.18 -1.571678540e-01 -1.571678540e-01 5.20 -1.517047061e-01 -1.517047061e-01 5.22 -1.463847299e-01 -1.463847299e-01 5.24 -1.412092355e-01 -1.412092355e-01 5.26 -1.361798693e-01 -1.361798693e-01 5.28 -1.312980265e-01 -1.312980265e-01 5.30 -1.265657430e-01 -1.265657430e-01 5.32 -1.219848983e-01 -1.219848983e-01 5.34 -1.175568295e-01 -1.175568295e-01 5.36 -1.132821279e-01 -1.132821279e-01 5.38 -1.091604793e-01 -1.091604793e-01 5.40 -1.051905595e-01 -1.051905595e-01 5.42 -1.013699889e-01 -1.013699889e-01 5.44 -9.769534472e-02 -9.769534472e-02 5.46 -9.416222604e-02 -9.416222604e-02 5.48 -9.076535938e-02 -9.076535938e-02 5.50 -8.749873443e-02 -8.749873443e-02 5.52 -8.435575633e-02 -8.435575633e-02 5.54 -8.132940302e-02 -8.132940302e-02 5.56 -7.841237819e-02 -7.841237819e-02 5.58 -7.559725252e-02 -7.559725252e-02 5.60 -7.287658889e-02 -7.287658889e-02 5.62 -7.024304939e-02 -7.024304939e-02 5.64 -6.768948432e-02 -6.768948432e-02 5.66 -6.520900442e-02 -6.520900442e-02 5.68 -6.279503900e-02 -6.279503900e-02 5.70 -6.044138278e-02 -6.044138278e-02 5.72 -5.814223473e-02 -5.814223473e-02 5.74 -5.589223176e-02 -5.589223176e-02 5.76 -5.368647992e-02 -5.368647992e-02 5.78 -5.152058515e-02 -5.152058515e-02 5.80 -4.939068403e-02 -4.939068403e-02 5.82 -4.729347696e-02 -4.729347696e-02 5.84 -4.522626234e-02 -4.522626234e-02 5.86 -4.318697080e-02 -4.318697080e-02 5.88 -4.117419788e-02 -4.117419788e-02 5.90 -3.918723249e-02 -3.918723249e-02 5.92 -3.722607803e-02 -3.722607803e-02 5.94 -3.529146218e-02 -3.529146218e-02 5.96 -3.338483207e-02 -3.338483207e-02 5.98 -3.150833133e-02 -3.150833133e-02 6.00 -2.966475393e-02 -2.966475393e-02