# 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 = FePb2Ta # 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 4.185653111e+02 4.185653111e+02 1.30 3.899718727e+02 3.899718727e+02 1.32 3.634427736e+02 3.634427736e+02 1.34 3.388195357e+02 3.388195357e+02 1.36 3.159506445e+02 3.159506445e+02 1.38 2.946930568e+02 2.946930568e+02 1.40 2.749146591e+02 2.749146591e+02 1.42 2.564958264e+02 2.564958264e+02 1.44 2.393293081e+02 2.393293081e+02 1.46 2.233189434e+02 2.233189434e+02 1.48 2.083782265e+02 2.083782265e+02 1.50 1.944292878e+02 1.944292878e+02 1.52 1.814020306e+02 1.814020306e+02 1.54 1.692329721e+02 1.692329721e+02 1.56 1.578636536e+02 1.578636536e+02 1.58 1.472392085e+02 1.472392085e+02 1.60 1.373076087e+02 1.373076087e+02 1.62 1.280197322e+02 1.280197322e+02 1.64 1.193298330e+02 1.193298330e+02 1.66 1.111960298e+02 1.111960298e+02 1.68 1.035804818e+02 1.035804818e+02 1.70 9.644912667e+01 9.644912667e+01 1.72 8.977105415e+01 8.977105415e+01 1.74 8.351775789e+01 8.351775789e+01 1.76 7.766573438e+01 7.766573438e+01 1.78 7.219049188e+01 7.219049188e+01 1.80 6.706627911e+01 6.706627911e+01 1.82 6.226929601e+01 6.226929601e+01 1.84 5.778679754e+01 5.778679754e+01 1.86 5.359860989e+01 5.359860989e+01 1.88 4.968338930e+01 4.968338930e+01 1.90 4.602180068e+01 4.602180068e+01 1.92 4.259649841e+01 4.259649841e+01 1.94 3.939206856e+01 3.939206856e+01 1.96 3.639487342e+01 3.639487342e+01 1.98 3.359280025e+01 3.359280025e+01 2.00 3.097489863e+01 3.097489863e+01 2.02 2.853096971e+01 2.853096971e+01 2.04 2.625119923e+01 2.625119923e+01 2.06 2.412592515e+01 2.412592515e+01 2.08 2.214557781e+01 2.214557781e+01 2.10 2.030074874e+01 2.030074874e+01 2.12 1.858233799e+01 1.858233799e+01 2.14 1.698168853e+01 1.698168853e+01 2.16 1.549067922e+01 1.549067922e+01 2.18 1.410176300e+01 1.410176300e+01 2.20 1.280795371e+01 1.280795371e+01 2.22 1.160278999e+01 1.160278999e+01 2.24 1.048028422e+01 1.048028422e+01 2.26 9.434869186e+00 9.434869186e+00 2.28 8.461350571e+00 8.461350571e+00 2.30 7.554859602e+00 7.554859602e+00 2.32 6.710814951e+00 6.710814951e+00 2.34 5.924908018e+00 5.924908018e+00 2.36 5.193086470e+00 5.193086470e+00 2.38 4.511558315e+00 4.511558315e+00 2.40 3.876801257e+00 3.876801257e+00 2.42 3.285669854e+00 3.285669854e+00 2.44 2.735199945e+00 2.735199945e+00 2.46 2.222554307e+00 2.222554307e+00 2.48 1.745211258e+00 1.745211258e+00 2.50 1.300927351e+00 1.300927351e+00 2.52 8.876907195e-01 8.876907195e-01 2.54 5.036729446e-01 5.036729446e-01 2.56 1.472569558e-01 1.472569558e-01 2.58 -1.828815728e-01 -1.828815728e-01 2.60 -4.880222353e-01 -4.880222353e-01 2.62 -7.694370423e-01 -7.694370423e-01 2.64 -1.028381727e+00 -1.028381727e+00 2.66 -1.266077411e+00 -1.266077411e+00 2.68 -1.483708292e+00 -1.483708292e+00 2.70 -1.682415304e+00 -1.682415304e+00 2.72 -1.863294098e+00 -1.863294098e+00 2.74 -2.027395502e+00 -2.027395502e+00 2.76 -2.175728000e+00 -2.175728000e+00 2.78 -2.309261355e+00 -2.309261355e+00 2.80 -2.428931184e+00 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-2.795447645e+00 -2.795447645e+00 3.34 -2.751738401e+00 -2.751738401e+00 3.36 -2.706433072e+00 -2.706433072e+00 3.38 -2.659782032e+00 -2.659782032e+00 3.40 -2.612033730e+00 -2.612033730e+00 3.42 -2.563422722e+00 -2.563422722e+00 3.44 -2.514157299e+00 -2.514157299e+00 3.46 -2.464410540e+00 -2.464410540e+00 3.48 -2.414295222e+00 -2.414295222e+00 3.50 -2.363874648e+00 -2.363874648e+00 3.52 -2.313181384e+00 -2.313181384e+00 3.54 -2.262220084e+00 -2.262220084e+00 3.56 -2.210972129e+00 -2.210972129e+00 3.58 -2.159401623e+00 -2.159401623e+00 3.60 -2.107462276e+00 -2.107462276e+00 3.62 -2.055104809e+00 -2.055104809e+00 3.64 -2.002284585e+00 -2.002284585e+00 3.66 -1.948969184e+00 -1.948969184e+00 3.68 -1.895145613e+00 -1.895145613e+00 3.70 -1.840826750e+00 -1.840826750e+00 3.72 -1.786056589e+00 -1.786056589e+00 3.74 -1.730913808e+00 -1.730913808e+00 3.76 -1.675513230e+00 -1.675513230e+00 3.78 -1.620004878e+00 -1.620004878e+00 3.80 -1.564570518e+00 -1.564570518e+00 3.82 -1.509417807e+00 -1.509417807e+00 3.84 -1.454772432e+00 -1.454772432e+00 3.86 -1.400868828e+00 -1.400868828e+00 3.88 -1.347940196e+00 -1.347940196e+00 3.90 -1.296208662e+00 -1.296208662e+00 3.92 -1.245875544e+00 -1.245875544e+00 3.94 -1.197117374e+00 -1.197117374e+00 3.96 -1.150075341e+00 -1.150075341e+00 3.98 -1.104856024e+00 -1.104856024e+00 4.00 -1.061529716e+00 -1.061529716e+00 4.02 -1.020131771e+00 -1.020131771e+00 4.04 -9.806655877e-01 -9.806655877e-01 4.06 -9.431067450e-01 -9.431067450e-01 4.08 -9.074077924e-01 -9.074077924e-01 4.10 -8.735006698e-01 -8.735006698e-01 4.12 -8.413123404e-01 -8.413123404e-01 4.14 -8.107522386e-01 -8.107522386e-01 4.16 -7.817280299e-01 -7.817280299e-01 4.18 -7.541456433e-01 -7.541456433e-01 4.20 -7.279117958e-01 -7.279117958e-01 4.22 -7.029358979e-01 -7.029358979e-01 4.24 -6.791314074e-01 -6.791314074e-01 4.26 -6.564167180e-01 -6.564167180e-01 4.28 -6.347156693e-01 -6.347156693e-01 4.30 -6.139577610e-01 -6.139577610e-01 4.32 -5.940781455e-01 -5.940781455e-01 4.34 -5.750174610e-01 -5.750174610e-01 4.36 -5.567215576e-01 -5.567215576e-01 4.38 -5.391411559e-01 -5.391411559e-01 4.40 -5.222314702e-01 -5.222314702e-01 4.42 -5.059518189e-01 -5.059518189e-01 4.44 -4.902652388e-01 -4.902652388e-01 4.46 -4.751381137e-01 -4.751381137e-01 4.48 -4.605398259e-01 -4.605398259e-01 4.50 -4.464424316e-01 -4.464424316e-01 4.52 -4.328203660e-01 -4.328203660e-01 4.54 -4.196501744e-01 -4.196501744e-01 4.56 -4.069102709e-01 -4.069102709e-01 4.58 -3.945807222e-01 -3.945807222e-01 4.60 -3.826430553e-01 -3.826430553e-01 4.62 -3.710800862e-01 -3.710800862e-01 4.64 -3.598757682e-01 -3.598757682e-01 4.66 -3.490150581e-01 -3.490150581e-01 4.68 -3.384837978e-01 -3.384837978e-01 4.70 -3.282686103e-01 -3.282686103e-01 4.72 -3.183568082e-01 -3.183568082e-01 4.74 -3.087363139e-01 -3.087363139e-01 4.76 -2.993955904e-01 -2.993955904e-01 4.78 -2.903235817e-01 -2.903235817e-01 4.80 -2.815081064e-01 -2.815081064e-01 4.82 -2.729422883e-01 -2.729422883e-01 4.84 -2.646144025e-01 -2.646144025e-01 4.86 -2.565149072e-01 -2.565149072e-01 4.88 -2.486345760e-01 -2.486345760e-01 4.90 -2.409644909e-01 -2.409644909e-01 4.92 -2.334960461e-01 -2.334960461e-01 4.94 -2.262209622e-01 -2.262209622e-01 4.96 -2.191313098e-01 -2.191313098e-01 4.98 -2.122195442e-01 -2.122195442e-01 5.00 -2.054785505e-01 -2.054785505e-01 5.02 -1.989016984e-01 -1.989016984e-01 5.04 -1.924829054e-01 -1.924829054e-01 5.06 -1.862167069e-01 -1.862167069e-01 5.08 -1.800983261e-01 -1.800983261e-01 5.10 -1.741237430e-01 -1.741237430e-01 5.12 -1.682897541e-01 -1.682897541e-01 5.14 -1.625940170e-01 -1.625940170e-01 5.16 -1.570350696e-01 -1.570350696e-01 5.18 -1.516123191e-01 -1.516123191e-01 5.20 -1.463259922e-01 -1.463259922e-01 5.22 -1.411770420e-01 -1.411770420e-01 5.24 -1.361670116e-01 -1.361670116e-01 5.26 -1.312977716e-01 -1.312977716e-01 5.28 -1.265709345e-01 -1.265709345e-01 5.30 -1.219887473e-01 -1.219887473e-01 5.32 -1.175532928e-01 -1.175532928e-01 5.34 -1.132661053e-01 -1.132661053e-01 5.36 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