# 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 = AuCuW2 # 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 3.464039766e+02 3.464039766e+02 1.30 3.200321461e+02 3.200321461e+02 1.32 2.956951330e+02 2.956951330e+02 1.34 2.732178439e+02 2.732178439e+02 1.36 2.524406261e+02 2.524406261e+02 1.38 2.332198673e+02 2.332198673e+02 1.40 2.154278219e+02 2.154278219e+02 1.42 1.989507704e+02 1.989507704e+02 1.44 1.836861934e+02 1.836861934e+02 1.46 1.695402454e+02 1.695402454e+02 1.48 1.564263825e+02 1.564263825e+02 1.50 1.442651143e+02 1.442651143e+02 1.52 1.329841712e+02 1.329841712e+02 1.54 1.225183096e+02 1.225183096e+02 1.56 1.128084927e+02 1.128084927e+02 1.58 1.038007605e+02 1.038007605e+02 1.60 9.544523649e+01 9.544523649e+01 1.62 8.769543629e+01 8.769543629e+01 1.64 8.050779005e+01 8.050779005e+01 1.66 7.384131447e+01 7.384131447e+01 1.68 6.765747742e+01 6.765747742e+01 1.70 6.192025493e+01 6.192025493e+01 1.72 5.659624936e+01 5.659624936e+01 1.74 5.165471646e+01 5.165471646e+01 1.76 4.706747696e+01 4.706747696e+01 1.78 4.280880547e+01 4.280880547e+01 1.80 3.885535684e+01 3.885535684e+01 1.82 3.518623696e+01 3.518623696e+01 1.84 3.178363255e+01 3.178363255e+01 1.86 2.863046030e+01 2.863046030e+01 1.88 2.571406715e+01 2.571406715e+01 1.90 2.302910126e+01 2.302910126e+01 1.92 2.055962385e+01 2.055962385e+01 1.94 1.828973739e+01 1.828973739e+01 1.96 1.620443723e+01 1.620443723e+01 1.98 1.428961372e+01 1.428961372e+01 2.00 1.253205745e+01 1.253205745e+01 2.02 1.091942031e+01 1.091942031e+01 2.04 9.440130362e+00 9.440130362e+00 2.06 8.083283740e+00 8.083283740e+00 2.08 6.838551888e+00 6.838551888e+00 2.10 5.696141793e+00 5.696141793e+00 2.12 4.646828022e+00 4.646828022e+00 2.14 3.682045855e+00 3.682045855e+00 2.16 2.794008466e+00 2.794008466e+00 2.18 1.975800378e+00 1.975800378e+00 2.20 1.221408406e+00 1.221408406e+00 2.22 5.256744640e-01 5.256744640e-01 2.24 -1.158193260e-01 -1.158193260e-01 2.26 -7.069041519e-01 -7.069041519e-01 2.28 -1.250981293e+00 -1.250981293e+00 2.30 -1.751152022e+00 -1.751152022e+00 2.32 -2.210303288e+00 -2.210303288e+00 2.34 -2.631147391e+00 -2.631147391e+00 2.36 -3.016227733e+00 -3.016227733e+00 2.38 -3.367910144e+00 -3.367910144e+00 2.40 -3.688377542e+00 -3.688377542e+00 2.42 -3.979590459e+00 -3.979590459e+00 2.44 -4.243252204e+00 -4.243252204e+00 2.46 -4.481242155e+00 -4.481242155e+00 2.48 -4.695322760e+00 -4.695322760e+00 2.50 -4.887118552e+00 -4.887118552e+00 2.52 -5.058130682e+00 -5.058130682e+00 2.54 -5.209746669e+00 -5.209746669e+00 2.56 -5.343248260e+00 -5.343248260e+00 2.58 -5.459696822e+00 -5.459696822e+00 2.60 -5.559558211e+00 -5.559558211e+00 2.62 -5.643198015e+00 -5.643198015e+00 2.64 -5.711041957e+00 -5.711041957e+00 2.66 -5.763560510e+00 -5.763560510e+00 2.68 -5.801257253e+00 -5.801257253e+00 2.70 -5.824660086e+00 -5.824660086e+00 2.72 -5.834314218e+00 -5.834314218e+00 2.74 -5.830775810e+00 -5.830775810e+00 2.76 -5.814606085e+00 -5.814606085e+00 2.78 -5.786367117e+00 -5.786367117e+00 2.80 -5.746621282e+00 -5.746621282e+00 2.82 -5.695936114e+00 -5.695936114e+00 2.84 -5.634895108e+00 -5.634895108e+00 2.86 -5.564113537e+00 -5.564113537e+00 2.88 -5.484257115e+00 -5.484257115e+00 2.90 -5.396060478e+00 -5.396060478e+00 2.92 -5.300345512e+00 -5.300345512e+00 2.94 -5.198250946e+00 -5.198250946e+00 2.96 -5.090755216e+00 -5.090755216e+00 2.98 -4.978643035e+00 -4.978643035e+00 3.00 -4.862792251e+00 -4.862792251e+00 3.02 -4.744131257e+00 -4.744131257e+00 3.04 -4.623585411e+00 -4.623585411e+00 3.06 -4.502023049e+00 -4.502023049e+00 3.08 -4.380206950e+00 -4.380206950e+00 3.10 -4.258767603e+00 -4.258767603e+00 3.12 -4.138183434e+00 -4.138183434e+00 3.14 -4.018755626e+00 -4.018755626e+00 3.16 -3.900614171e+00 -3.900614171e+00 3.18 -3.783737430e+00 -3.783737430e+00 3.20 -3.667980408e+00 -3.667980408e+00 3.22 -3.553108173e+00 -3.553108173e+00 3.24 -3.438831296e+00 -3.438831296e+00 3.26 -3.324840983e+00 -3.324840983e+00 3.28 -3.210842276e+00 -3.210842276e+00 3.30 -3.096584259e+00 -3.096584259e+00 3.32 -2.981886468e+00 -2.981886468e+00 3.34 -2.866660702e+00 -2.866660702e+00 3.36 -2.750927364e+00 -2.750927364e+00 3.38 -2.634825341e+00 -2.634825341e+00 3.40 -2.518614433e+00 -2.518614433e+00 3.42 -2.402669629e+00 -2.402669629e+00 3.44 -2.287466986e+00 -2.287466986e+00 3.46 -2.173561623e+00 -2.173561623e+00 3.48 -2.061559245e+00 -2.061559245e+00 3.50 -1.952083418e+00 -1.952083418e+00 3.52 -1.845741505e+00 -1.845741505e+00 3.54 -1.743092408e+00 -1.743092408e+00 3.56 -1.644619030e+00 -1.644619030e+00 3.58 -1.550707760e+00 -1.550707760e+00 3.60 -1.461636267e+00 -1.461636267e+00 3.62 -1.377569837e+00 -1.377569837e+00 3.64 -1.298565506e+00 -1.298565506e+00 3.66 -1.224582484e+00 -1.224582484e+00 3.68 -1.155496989e+00 -1.155496989e+00 3.70 -1.091119515e+00 -1.091119515e+00 3.72 -1.031212726e+00 -1.031212726e+00 3.74 -9.755084964e-01 -9.755084964e-01 3.76 -9.237230254e-01 -9.237230254e-01 3.78 -8.755693353e-01 -8.755693353e-01 3.80 -8.307668222e-01 -8.307668222e-01 3.82 -7.890478407e-01 -7.890478407e-01 3.84 -7.501615470e-01 -7.501615470e-01 3.86 -7.138754275e-01 -7.138754275e-01 3.88 -6.799750701e-01 -6.799750701e-01 3.90 -6.482627974e-01 -6.482627974e-01 3.92 -6.185557541e-01 -6.185557541e-01 3.94 -5.906839437e-01 -5.906839437e-01 3.96 -5.644885452e-01 -5.644885452e-01 3.98 -5.398206865e-01 -5.398206865e-01 4.00 -5.165406842e-01 -5.165406842e-01 4.02 -4.945176731e-01 -4.945176731e-01 4.04 -4.736294940e-01 -4.736294940e-01 4.06 -4.537627113e-01 -4.537627113e-01 4.08 -4.348126655e-01 -4.348126655e-01 4.10 -4.166834980e-01 -4.166834980e-01 4.12 -3.992881412e-01 -3.992881412e-01 4.14 -3.825482619e-01 -3.825482619e-01 4.16 -3.663941043e-01 -3.663941043e-01 4.18 -3.507644531e-01 -3.507644531e-01 4.20 -3.356070840e-01 -3.356070840e-01 4.22 -3.208782245e-01 -3.208782245e-01 4.24 -3.065425695e-01 -3.065425695e-01 4.26 -2.925732741e-01 -2.925732741e-01 4.28 -2.789518523e-01 -2.789518523e-01 4.30 -2.656679394e-01 -2.656679394e-01 4.32 -2.527188758e-01 -2.527188758e-01 4.34 -2.401090719e-01 -2.401090719e-01 4.36 -2.278491248e-01 -2.278491248e-01 4.38 -2.159546727e-01 -2.159546727e-01 4.40 -2.044449954e-01 -2.044449954e-01 4.42 -1.933413983e-01 -1.933413983e-01 4.44 -1.826654495e-01 -1.826654495e-01 4.46 -1.724371731e-01 -1.724371731e-01 4.48 -1.626732715e-01 -1.626732715e-01 4.50 -1.533856038e-01 -1.533856038e-01 4.52 -1.445803963e-01 -1.445803963e-01 4.54 -1.362572296e-01 -1.362572296e-01 4.56 -1.284088314e-01 -1.284088314e-01 4.58 -1.210213747e-01 -1.210213747e-01 4.60 -1.140751791e-01 -1.140751791e-01 4.62 -1.075457177e-01 -1.075457177e-01 4.64 -1.014048077e-01 -1.014048077e-01 4.66 -9.562186992e-02 -9.562186992e-02 4.68 -9.016515983e-02 -9.016515983e-02 4.70 -8.500289843e-02 -8.500289843e-02 4.72 -8.010425938e-02 -8.010425938e-02 4.74 -7.544019393e-02 -7.544019393e-02 4.76 -7.098409282e-02 -7.098409282e-02 4.78 -6.671229538e-02 -6.671229538e-02 4.80 -6.260445969e-02 -6.260445969e-02 4.82 -5.864381007e-02 -5.864381007e-02 4.84 -5.481726290e-02 -5.481726290e-02 4.86 -5.111544495e-02 -5.111544495e-02 4.88 -4.753259460e-02 -4.753259460e-02 4.90 -4.406634543e-02 -4.406634543e-02 4.92 -4.071738933e-02 -4.071738933e-02 4.94 -3.748902135e-02 -3.748902135e-02 4.96 -3.438657795e-02 -3.438657795e-02 4.98 -3.141679047e-02 -3.141679047e-02 5.00 -2.858708692e-02 -2.858708692e-02 5.02 -2.590488688e-02 -2.590488688e-02 5.04 -2.337693503e-02 -2.337693503e-02 5.06 -2.100872000e-02 -2.100872000e-02 5.08 -1.880401754e-02 -1.880401754e-02 5.10 -1.676445051e-02 -1.676445051e-02 5.12 -1.488940915e-02 -1.488940915e-02 5.14 -1.317652047e-02 -1.317652047e-02 5.16 -1.162134315e-02 -1.162134315e-02 5.18 -1.021761230e-02 -1.021761230e-02 5.20 -8.957572578e-03 -8.957572578e-03 5.22 -7.832344629e-03 -7.832344629e-03 5.24 -6.832293374e-03 -6.832293374e-03 5.26 -5.947373346e-03 -5.947373346e-03 5.28 -5.167433926e-03 -5.167433926e-03 5.30 -4.482474574e-03 -4.482474574e-03 5.32 -3.882846513e-03 -3.882846513e-03 5.34 -3.359402146e-03 -3.359402146e-03 5.36 -2.903596807e-03 -2.903596807e-03 5.38 -2.507549354e-03 -2.507549354e-03 5.40 -2.164068949e-03 -2.164068949e-03 5.42 -1.866655300e-03 -1.866655300e-03 5.44 -1.609479124e-03 -1.609479124e-03 5.46 -1.387348691e-03 -1.387348691e-03 5.48 -1.195667347e-03 -1.195667347e-03 5.50 -1.030385927e-03 -1.030385927e-03 5.52 -8.879530531e-04 -8.879530531e-04 5.54 -7.652655306e-04 -7.652655306e-04 5.56 -6.596204081e-04 -6.596204081e-04 5.58 -5.686697177e-04 -5.686697177e-04 5.60 -4.903785236e-04 -4.903785236e-04 5.62 -4.229865883e-04 -4.229865883e-04 5.64 -3.649737437e-04 -3.649737437e-04 5.66 -3.150289037e-04 -3.150289037e-04 5.68 -2.720225442e-04 -2.720225442e-04 5.70 -2.349824202e-04 -2.349824202e-04 5.72 -2.030722512e-04 -2.030722512e-04 5.74 -1.755730947e-04 -1.755730947e-04 5.76 -1.518671282e-04 -1.518671282e-04 5.78 -1.314235732e-04 -1.314235732e-04 5.80 -1.137865083e-04 -1.137865083e-04 5.82 -9.856434097e-05 -9.856434097e-05 5.84 -8.542072896e-05 -8.542072896e-05 5.86 -7.406676231e-05 -7.406676231e-05 5.88 -6.425423961e-05 -6.425423961e-05 5.90 -5.576989074e-05 -5.576989074e-05 5.92 -4.843041668e-05 -4.843041668e-05 5.94 -4.207823334e-05 -4.207823334e-05 5.96 -3.657782117e-05 -3.657782117e-05 5.98 -3.181259542e-05 -3.181259542e-05 6.00 -2.768222313e-05 -2.768222313e-05