# 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 = Au2NiZr # 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 3.178393659e+02 3.178393659e+02 1.30 2.951356613e+02 2.951356613e+02 1.32 2.740894491e+02 2.740894491e+02 1.34 2.545701791e+02 2.545701791e+02 1.36 2.364583462e+02 2.364583462e+02 1.38 2.196444505e+02 2.196444505e+02 1.40 2.040282981e+02 2.040282981e+02 1.42 1.895183588e+02 1.895183588e+02 1.44 1.760310475e+02 1.760310475e+02 1.46 1.634894850e+02 1.634894850e+02 1.48 1.518222931e+02 1.518222931e+02 1.50 1.409634529e+02 1.409634529e+02 1.52 1.308528391e+02 1.308528391e+02 1.54 1.214359859e+02 1.214359859e+02 1.56 1.126630060e+02 1.126630060e+02 1.58 1.044872540e+02 1.044872540e+02 1.60 9.686465309e+01 9.686465309e+01 1.62 8.975370568e+01 8.975370568e+01 1.64 8.311589480e+01 8.311589480e+01 1.66 7.691587667e+01 7.691587667e+01 1.68 7.112145024e+01 7.112145024e+01 1.70 6.570337901e+01 6.570337901e+01 1.72 6.063514226e+01 6.063514226e+01 1.74 5.589268296e+01 5.589268296e+01 1.76 5.145419599e+01 5.145419599e+01 1.78 4.729988791e+01 4.729988791e+01 1.80 4.341164225e+01 4.341164225e+01 1.82 3.977267093e+01 3.977267093e+01 1.84 3.636754238e+01 3.636754238e+01 1.86 3.319390555e+01 3.319390555e+01 1.88 3.024820302e+01 3.024820302e+01 1.90 2.751467813e+01 2.751467813e+01 1.92 2.497859751e+01 2.497859751e+01 1.94 2.262610065e+01 2.262610065e+01 1.96 2.044415855e+01 2.044415855e+01 1.98 1.842052950e+01 1.842052950e+01 2.00 1.654376502e+01 1.654376502e+01 2.02 1.480324115e+01 1.480324115e+01 2.04 1.318918946e+01 1.318918946e+01 2.06 1.169269216e+01 1.169269216e+01 2.08 1.030562309e+01 1.030562309e+01 2.10 9.020572748e+00 9.020572748e+00 2.12 7.830723962e+00 7.830723962e+00 2.14 6.729747624e+00 6.729747624e+00 2.16 5.711702545e+00 5.711702545e+00 2.18 4.770963581e+00 4.770963581e+00 2.20 3.902195988e+00 3.902195988e+00 2.22 3.100347482e+00 3.100347482e+00 2.24 2.360664411e+00 2.360664411e+00 2.26 1.678718373e+00 1.678718373e+00 2.28 1.050421857e+00 1.050421857e+00 2.30 4.720523823e-01 4.720523823e-01 2.32 -5.976594300e-02 -5.976594300e-02 2.34 -5.481112903e-01 -5.481112903e-01 2.36 -9.958131848e-01 -9.958131848e-01 2.38 -1.405512486e+00 -1.405512486e+00 2.40 -1.779705312e+00 -1.779705312e+00 2.42 -2.120771642e+00 -2.120771642e+00 2.44 -2.430978994e+00 -2.430978994e+00 2.46 -2.712482477e+00 -2.712482477e+00 2.48 -2.967316318e+00 -2.967316318e+00 2.50 -3.197389646e+00 -3.197389646e+00 2.52 -3.404490800e+00 -3.404490800e+00 2.54 -3.590300315e+00 -3.590300315e+00 2.56 -3.756435875e+00 -3.756435875e+00 2.58 -3.904449813e+00 -3.904449813e+00 2.60 -4.035697730e+00 -4.035697730e+00 2.62 -4.151469041e+00 -4.151469041e+00 2.64 -4.252982341e+00 -4.252982341e+00 2.66 -4.341371537e+00 -4.341371537e+00 2.68 -4.417680543e+00 -4.417680543e+00 2.70 -4.482863989e+00 -4.482863989e+00 2.72 -4.537713825e+00 -4.537713825e+00 2.74 -4.582844821e+00 -4.582844821e+00 2.76 -4.618849755e+00 -4.618849755e+00 2.78 -4.646304578e+00 -4.646304578e+00 2.80 -4.665769648e+00 -4.665769648e+00 2.82 -4.677771019e+00 -4.677771019e+00 2.84 -4.682803806e+00 -4.682803806e+00 2.86 -4.681329525e+00 -4.681329525e+00 2.88 -4.673778941e+00 -4.673778941e+00 2.90 -4.660556558e+00 -4.660556558e+00 2.92 -4.642071415e+00 -4.642071415e+00 2.94 -4.618638423e+00 -4.618638423e+00 2.96 -4.590390734e+00 -4.590390734e+00 2.98 -4.557496012e+00 -4.557496012e+00 3.00 -4.520156209e+00 -4.520156209e+00 3.02 -4.478602358e+00 -4.478602358e+00 3.04 -4.433087777e+00 -4.433087777e+00 3.06 -4.383890553e+00 -4.383890553e+00 3.08 -4.331295643e+00 -4.331295643e+00 3.10 -4.275594228e+00 -4.275594228e+00 3.12 -4.217067914e+00 -4.217067914e+00 3.14 -4.156000427e+00 -4.156000427e+00 3.16 -4.092665148e+00 -4.092665148e+00 3.18 -4.027329586e+00 -4.027329586e+00 3.20 -3.960251762e+00 -3.960251762e+00 3.22 -3.891680017e+00 -3.891680017e+00 3.24 -3.821854013e+00 -3.821854013e+00 3.26 -3.751006413e+00 -3.751006413e+00 3.28 -3.679364381e+00 -3.679364381e+00 3.30 -3.607149841e+00 -3.607149841e+00 3.32 -3.534577719e+00 -3.534577719e+00 3.34 -3.461852072e+00 -3.461852072e+00 3.36 -3.389160935e+00 -3.389160935e+00 3.38 -3.316671306e+00 -3.316671306e+00 3.40 -3.244524656e+00 -3.244524656e+00 3.42 -3.172840146e+00 -3.172840146e+00 3.44 -3.101709128e+00 -3.101709128e+00 3.46 -3.031203073e+00 -3.031203073e+00 3.48 -2.961376188e+00 -2.961376188e+00 3.50 -2.892269335e+00 -2.892269335e+00 3.52 -2.823913430e+00 -2.823913430e+00 3.54 -2.756332071e+00 -2.756332071e+00 3.56 -2.689543406e+00 -2.689543406e+00 3.58 -2.623561364e+00 -2.623561364e+00 3.60 -2.558396430e+00 -2.558396430e+00 3.62 -2.494056140e+00 -2.494056140e+00 3.64 -2.430545480e+00 -2.430545480e+00 3.66 -2.367867343e+00 -2.367867343e+00 3.68 -2.306023189e+00 -2.306023189e+00 3.70 -2.245014034e+00 -2.245014034e+00 3.72 -2.184841836e+00 -2.184841836e+00 3.74 -2.125511290e+00 -2.125511290e+00 3.76 -2.067031920e+00 -2.067031920e+00 3.78 -2.009420255e+00 -2.009420255e+00 3.80 -1.952701734e+00 -1.952701734e+00 3.82 -1.896911879e+00 -1.896911879e+00 3.84 -1.842096277e+00 -1.842096277e+00 3.86 -1.788309023e+00 -1.788309023e+00 3.88 -1.735609520e+00 -1.735609520e+00 3.90 -1.684057897e+00 -1.684057897e+00 3.92 -1.633708310e+00 -1.633708310e+00 3.94 -1.584609454e+00 -1.584609454e+00 3.96 -1.536791258e+00 -1.536791258e+00 3.98 -1.490268708e+00 -1.490268708e+00 4.00 -1.445039474e+00 -1.445039474e+00 4.02 -1.401085060e+00 -1.401085060e+00 4.04 -1.358373298e+00 -1.358373298e+00 4.06 -1.316861634e+00 -1.316861634e+00 4.08 -1.276500647e+00 -1.276500647e+00 4.10 -1.237233441e+00 -1.237233441e+00 4.12 -1.199015011e+00 -1.199015011e+00 4.14 -1.161788589e+00 -1.161788589e+00 4.16 -1.125505734e+00 -1.125505734e+00 4.18 -1.090122766e+00 -1.090122766e+00 4.20 -1.055601650e+00 -1.055601650e+00 4.22 -1.021910519e+00 -1.021910519e+00 4.24 -9.890238858e-01 -9.890238858e-01 4.26 -9.569225740e-01 -9.569225740e-01 4.28 -9.255933713e-01 -9.255933713e-01 4.30 -8.950284446e-01 -8.950284446e-01 4.32 -8.652245481e-01 -8.652245481e-01 4.34 -8.361820845e-01 -8.361820845e-01 4.36 -8.079040889e-01 -8.079040889e-01 4.38 -7.803952073e-01 -7.803952073e-01 4.40 -7.536607252e-01 -7.536607252e-01 4.42 -7.277056775e-01 -7.277056775e-01 4.44 -7.025340401e-01 -7.025340401e-01 4.46 -6.781479874e-01 -6.781479874e-01 4.48 -6.545471940e-01 -6.545471940e-01 4.50 -6.317281769e-01 -6.317281769e-01 4.52 -6.096836990e-01 -6.096836990e-01 4.54 -5.884022823e-01 -5.884022823e-01 4.56 -5.678678944e-01 -5.678678944e-01 4.58 -5.480598676e-01 -5.480598676e-01 4.60 -5.289530874e-01 -5.289530874e-01 4.62 -5.105184565e-01 -5.105184565e-01 4.64 -4.927236013e-01 -4.927236013e-01 4.66 -4.755337655e-01 -4.755337655e-01 4.68 -4.589128163e-01 -4.589128163e-01 4.70 -4.428242919e-01 -4.428242919e-01 4.72 -4.272324277e-01 -4.272324277e-01 4.74 -4.121031120e-01 -4.121031120e-01 4.76 -3.974047417e-01 -3.974047417e-01 4.78 -3.831089590e-01 -3.831089590e-01 4.80 -3.691881332e-01 -3.691881332e-01 4.82 -3.556288507e-01 -3.556288507e-01 4.84 -3.424118117e-01 -3.424118117e-01 4.86 -3.295262672e-01 -3.295262672e-01 4.88 -3.169662307e-01 -3.169662307e-01 4.90 -3.047302594e-01 -3.047302594e-01 4.92 -2.928210294e-01 -2.928210294e-01 4.94 -2.812447045e-01 -2.812447045e-01 4.96 -2.700101149e-01 -2.700101149e-01 4.98 -2.591277818e-01 -2.591277818e-01 5.00 -2.486088426e-01 -2.486088426e-01 5.02 -2.384639493e-01 -2.384639493e-01 5.04 -2.287022207e-01 -2.287022207e-01 5.06 -2.193303264e-01 -2.193303264e-01 5.08 -2.103517715e-01 -2.103517715e-01 5.10 -2.017664275e-01 -2.017664275e-01 5.12 -1.935703303e-01 -1.935703303e-01 5.14 -1.857557381e-01 -1.857557381e-01 5.16 -1.783114212e-01 -1.783114212e-01 5.18 -1.712231339e-01 -1.712231339e-01 5.20 -1.644741975e-01 -1.644741975e-01 5.22 -1.580459963e-01 -1.580459963e-01 5.24 -1.519191525e-01 -1.519191525e-01 5.26 -1.460739325e-01 -1.460739325e-01 5.28 -1.404907595e-01 -1.404907595e-01 5.30 -1.351507691e-01 -1.351507691e-01 5.32 -1.300362686e-01 -1.300362686e-01 5.34 -1.251310943e-01 -1.251310943e-01 5.36 -1.204208662e-01 -1.204208662e-01 5.38 -1.158931377e-01 -1.158931377e-01 5.40 -1.115374450e-01 -1.115374450e-01 5.42 -1.073452570e-01 -1.073452570e-01 5.44 -1.033098337e-01 -1.033098337e-01 5.46 -9.942600209e-02 -9.942600209e-02 5.48 -9.568986545e-02 -9.568986545e-02 5.50 -9.209846620e-02 -9.209846620e-02 5.52 -8.864942786e-02 -8.864942786e-02 5.54 -8.534060370e-02 -8.534060370e-02 5.56 -8.216975807e-02 -8.216975807e-02 5.58 -7.913430296e-02 -7.913430296e-02 5.60 -7.623108015e-02 -7.623108015e-02 5.62 -7.345614816e-02 -7.345614816e-02 5.64 -7.080509257e-02 -7.080509257e-02 5.66 -6.827283656e-02 -6.827283656e-02 5.68 -6.585367779e-02 -6.585367779e-02 5.70 -6.354141246e-02 -6.354141246e-02 5.72 -6.132947626e-02 -6.132947626e-02 5.74 -5.921108695e-02 -5.921108695e-02 5.76 -5.717937747e-02 -5.717937747e-02 5.78 -5.522751172e-02 -5.522751172e-02 5.80 -5.334877933e-02 -5.334877933e-02 5.82 -5.153666848e-02 -5.153666848e-02 5.84 -4.978491817e-02 -4.978491817e-02 5.86 -4.808755287e-02 -4.808755287e-02 5.88 -4.643890314e-02 -4.643890314e-02 5.90 -4.483361632e-02 -4.483361632e-02 5.92 -4.326666097e-02 -4.326666097e-02 5.94 -4.173332892e-02 -4.173332892e-02 5.96 -4.022923771e-02 -4.022923771e-02 5.98 -3.875033643e-02 -3.875033643e-02 6.00 -3.729291660e-02 -3.729291660e-02