# 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 = AgAl2W # 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 1.973841927e+02 1.973841927e+02 1.30 1.830236752e+02 1.830236752e+02 1.32 1.697256080e+02 1.697256080e+02 1.34 1.574059657e+02 1.574059657e+02 1.36 1.459879523e+02 1.459879523e+02 1.38 1.354018600e+02 1.354018600e+02 1.40 1.255840586e+02 1.255840586e+02 1.42 1.164753425e+02 1.164753425e+02 1.44 1.080194328e+02 1.080194328e+02 1.46 1.001624440e+02 1.001624440e+02 1.48 9.285380604e+01 9.285380604e+01 1.50 8.604807282e+01 8.604807282e+01 1.52 7.970610193e+01 7.970610193e+01 1.54 7.379465734e+01 7.379465734e+01 1.56 6.828492993e+01 6.828492993e+01 1.58 6.315100048e+01 6.315100048e+01 1.60 5.836873781e+01 5.836873781e+01 1.62 5.391508691e+01 5.391508691e+01 1.64 4.976761841e+01 4.976761841e+01 1.66 4.590440529e+01 4.590440529e+01 1.68 4.230471843e+01 4.230471843e+01 1.70 3.894862036e+01 3.894862036e+01 1.72 3.581772221e+01 3.581772221e+01 1.74 3.289594596e+01 3.289594596e+01 1.76 3.016983558e+01 3.016983558e+01 1.78 2.762624323e+01 2.762624323e+01 1.80 2.525606184e+01 2.525606184e+01 1.82 2.305014424e+01 2.305014424e+01 1.84 2.099831155e+01 2.099831155e+01 1.86 1.909120895e+01 1.909120895e+01 1.88 1.732011870e+01 1.732011870e+01 1.90 1.567675931e+01 1.567675931e+01 1.92 1.415310131e+01 1.415310131e+01 1.94 1.274123497e+01 1.274123497e+01 1.96 1.143332619e+01 1.143332619e+01 1.98 1.022167837e+01 1.022167837e+01 2.00 9.098878769e+00 9.098878769e+00 2.02 8.057966445e+00 8.057966445e+00 2.04 7.092544067e+00 7.092544067e+00 2.06 6.196784170e+00 6.196784170e+00 2.08 5.365342344e+00 5.365342344e+00 2.10 4.593239415e+00 4.593239415e+00 2.12 3.875778254e+00 3.875778254e+00 2.14 3.208526499e+00 3.208526499e+00 2.16 2.587356871e+00 2.587356871e+00 2.18 2.008513626e+00 2.008513626e+00 2.20 1.468670445e+00 1.468670445e+00 2.22 9.649551274e-01 9.649551274e-01 2.24 4.949326880e-01 4.949326880e-01 2.26 5.656794191e-02 5.656794191e-02 2.28 -3.517917412e-01 -3.517917412e-01 2.30 -7.317111210e-01 -7.317111210e-01 2.32 -1.084578466e+00 -1.084578466e+00 2.34 -1.411627680e+00 -1.411627680e+00 2.36 -1.713984466e+00 -1.713984466e+00 2.38 -1.992701997e+00 -1.992701997e+00 2.40 -2.248790070e+00 -2.248790070e+00 2.42 -2.483239222e+00 -2.483239222e+00 2.44 -2.696954114e+00 -2.696954114e+00 2.46 -2.890714348e+00 -2.890714348e+00 2.48 -3.065355563e+00 -3.065355563e+00 2.50 -3.221787447e+00 -3.221787447e+00 2.52 -3.360992730e+00 -3.360992730e+00 2.54 -3.484029001e+00 -3.484029001e+00 2.56 -3.592032154e+00 -3.592032154e+00 2.58 -3.686215615e+00 -3.686215615e+00 2.60 -3.767855362e+00 -3.767855362e+00 2.62 -3.838252064e+00 -3.838252064e+00 2.64 -3.898670492e+00 -3.898670492e+00 2.66 -3.950268441e+00 -3.950268441e+00 2.68 -3.994035532e+00 -3.994035532e+00 2.70 -4.030759354e+00 -4.030759354e+00 2.72 -4.061025567e+00 -4.061025567e+00 2.74 -4.085246073e+00 -4.085246073e+00 2.76 -4.103702210e+00 -4.103702210e+00 2.78 -4.116589817e+00 -4.116589817e+00 2.80 -4.124057432e+00 -4.124057432e+00 2.82 -4.126234121e+00 -4.126234121e+00 2.84 -4.123255551e+00 -4.123255551e+00 2.86 -4.116234837e+00 -4.116234837e+00 2.88 -4.105638327e+00 -4.105638327e+00 2.90 -4.091179096e+00 -4.091179096e+00 2.92 -4.072752548e+00 -4.072752548e+00 2.94 -4.050269841e+00 -4.050269841e+00 2.96 -4.023518622e+00 -4.023518622e+00 2.98 -3.992398474e+00 -3.992398474e+00 3.00 -3.956922904e+00 -3.956922904e+00 3.02 -3.917220670e+00 -3.917220670e+00 3.04 -3.873551163e+00 -3.873551163e+00 3.06 -3.826278261e+00 -3.826278261e+00 3.08 -3.775820856e+00 -3.775820856e+00 3.10 -3.722611242e+00 -3.722611242e+00 3.12 -3.667063415e+00 -3.667063415e+00 3.14 -3.609545802e+00 -3.609545802e+00 3.16 -3.550362264e+00 -3.550362264e+00 3.18 -3.489743752e+00 -3.489743752e+00 3.20 -3.427850007e+00 -3.427850007e+00 3.22 -3.364779177e+00 -3.364779177e+00 3.24 -3.300582357e+00 -3.300582357e+00 3.26 -3.235280231e+00 -3.235280231e+00 3.28 -3.168879722e+00 -3.168879722e+00 3.30 -3.101389380e+00 -3.101389380e+00 3.32 -3.032832854e+00 -3.032832854e+00 3.34 -2.963260142e+00 -2.963260142e+00 3.36 -2.892756379e+00 -2.892756379e+00 3.38 -2.821447912e+00 -2.821447912e+00 3.40 -2.749505294e+00 -2.749505294e+00 3.42 -2.677142890e+00 -2.677142890e+00 3.44 -2.604614826e+00 -2.604614826e+00 3.46 -2.532207439e+00 -2.532207439e+00 3.48 -2.460228628e+00 -2.460228628e+00 3.50 -2.388994973e+00 -2.388994973e+00 3.52 -2.318817809e+00 -2.318817809e+00 3.54 -2.249989564e+00 -2.249989564e+00 3.56 -2.182771672e+00 -2.182771672e+00 3.58 -2.117385069e+00 -2.117385069e+00 3.60 -2.054003939e+00 -2.054003939e+00 3.62 -1.992752902e+00 -1.992752902e+00 3.64 -1.933707429e+00 -1.933707429e+00 3.66 -1.876896952e+00 -1.876896952e+00 3.68 -1.822309968e+00 -1.822309968e+00 3.70 -1.769900352e+00 -1.769900352e+00 3.72 -1.719594202e+00 -1.719594202e+00 3.74 -1.671296617e+00 -1.671296617e+00 3.76 -1.624898004e+00 -1.624898004e+00 3.78 -1.580279640e+00 -1.580279640e+00 3.80 -1.537318362e+00 -1.537318362e+00 3.82 -1.495890350e+00 -1.495890350e+00 3.84 -1.455874041e+00 -1.455874041e+00 3.86 -1.417152262e+00 -1.417152262e+00 3.88 -1.379613662e+00 -1.379613662e+00 3.90 -1.343153576e+00 -1.343153576e+00 3.92 -1.307674401e+00 -1.307674401e+00 3.94 -1.273085649e+00 -1.273085649e+00 3.96 -1.239303668e+00 -1.239303668e+00 3.98 -1.206251279e+00 -1.206251279e+00 4.00 -1.173857317e+00 -1.173857317e+00 4.02 -1.142056223e+00 -1.142056223e+00 4.04 -1.110787749e+00 -1.110787749e+00 4.06 -1.079996885e+00 -1.079996885e+00 4.08 -1.049634047e+00 -1.049634047e+00 4.10 -1.019655557e+00 -1.019655557e+00 4.12 -9.900245677e-01 -9.900245677e-01 4.14 -9.607120566e-01 -9.607120566e-01 4.16 -9.316982887e-01 -9.316982887e-01 4.18 -9.029742571e-01 -9.029742571e-01 4.20 -8.745430616e-01 -8.745430616e-01 4.22 -8.464209648e-01 -8.464209648e-01 4.24 -8.186378593e-01 -8.186378593e-01 4.26 -7.912368939e-01 -7.912368939e-01 4.28 -7.642730604e-01 -7.642730604e-01 4.30 -7.378106605e-01 -7.378106605e-01 4.32 -7.119197244e-01 -7.119197244e-01 4.34 -6.866716277e-01 -6.866716277e-01 4.36 -6.621343076e-01 -6.621343076e-01 4.38 -6.383675704e-01 -6.383675704e-01 4.40 -6.154189942e-01 -6.154189942e-01 4.42 -5.933208422e-01 -5.933208422e-01 4.44 -5.720882483e-01 -5.720882483e-01 4.46 -5.517187416e-01 -5.517187416e-01 4.48 -5.321929995e-01 -5.321929995e-01 4.50 -5.134765759e-01 -5.134765759e-01 4.52 -4.955222882e-01 -4.955222882e-01 4.54 -4.782729300e-01 -4.782729300e-01 4.56 -4.616640302e-01 -4.616640302e-01 4.58 -4.456264434e-01 -4.456264434e-01 4.60 -4.300886468e-01 -4.300886468e-01 4.62 -4.149786896e-01 -4.149786896e-01 4.64 -4.002258054e-01 -4.002258054e-01 4.66 -3.857617366e-01 -3.857617366e-01 4.68 -3.715218445e-01 -3.715218445e-01 4.70 -3.574460866e-01 -3.574460866e-01 4.72 -3.434799359e-01 -3.434799359e-01 4.74 -3.295753039e-01 -3.295753039e-01 4.76 -3.156915069e-01 -3.156915069e-01 4.78 -3.017962879e-01 -3.017962879e-01 4.80 -2.878668656e-01 -2.878668656e-01 4.82 -2.738910280e-01 -2.738910280e-01 4.84 -2.598680123e-01 -2.598680123e-01 4.86 -2.458092995e-01 -2.458092995e-01 4.88 -2.317390088e-01 -2.317390088e-01 4.90 -2.176938361e-01 -2.176938361e-01 4.92 -2.037224053e-01 -2.037224053e-01 4.94 -1.898839542e-01 -1.898839542e-01 4.96 -1.762463237e-01 -1.762463237e-01 4.98 -1.628833236e-01 -1.628833236e-01 5.00 -1.498715986e-01 -1.498715986e-01 5.02 -1.372872013e-01 -1.372872013e-01 5.04 -1.252021358e-01 -1.252021358e-01 5.06 -1.136811452e-01 -1.136811452e-01 5.08 -1.027789387e-01 -1.027789387e-01 5.10 -9.253799513e-02 -9.253799513e-02 5.12 -8.298806430e-02 -8.298806430e-02 5.14 -7.414537900e-02 -7.414537900e-02 5.16 -6.601300132e-02 -6.601300132e-02 5.18 -5.858190920e-02 -5.858190920e-02 5.20 -5.183256296e-02 -5.183256296e-02 5.22 -4.573676593e-02 -4.573676593e-02 5.24 -4.025964253e-02 -4.025964253e-02 5.26 -3.536158432e-02 -3.536158432e-02 5.28 -3.100005127e-02 -3.100005127e-02 5.30 -2.713114858e-02 -2.713114858e-02 5.32 -2.371094830e-02 -2.371094830e-02 5.34 -2.069653851e-02 -2.069653851e-02 5.36 -1.804680774e-02 -1.804680774e-02 5.38 -1.572261528e-02 -1.572261528e-02 5.40 -1.368799621e-02 -1.368799621e-02 5.42 -1.191010791e-02 -1.191010791e-02 5.44 -1.035891638e-02 -1.035891638e-02 5.46 -9.007216916e-03 -9.007216916e-03 5.48 -7.830561605e-03 -7.830561605e-03 5.50 -6.807124076e-03 -6.807124076e-03 5.52 -5.917525303e-03 -5.917525303e-03 5.54 -5.144638271e-03 -5.144638271e-03 5.56 -4.473384609e-03 -4.473384609e-03 5.58 -3.890532408e-03 -3.890532408e-03 5.60 -3.384501483e-03 -3.384501483e-03 5.62 -2.945180009e-03 -2.945180009e-03 5.64 -2.563754842e-03 -2.563754842e-03 5.66 -2.232556563e-03 -2.232556563e-03 5.68 -1.944919447e-03 -1.944919447e-03 5.70 -1.695055992e-03 -1.695055992e-03 5.72 -1.477945268e-03 -1.477945268e-03 5.74 -1.289234094e-03 -1.289234094e-03 5.76 -1.125149999e-03 -1.125149999e-03 5.78 -9.824248424e-04 -9.824248424e-04 5.80 -8.582279910e-04 -8.582279910e-04 5.82 -7.501080255e-04 -7.501080255e-04 5.84 -6.559419843e-04 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